data_1i17_residue save_MolProbity _Software.Sf_category software _Software.Sf_framecode MolProbity _Software.Entry_ID ? _Software.ID 1 _Software.Name MolProbity _Software.Version 4.0 _Software.Details . save_ save_CYRANGE _Software.Sf_category software _Software.Sf_framecode CYRANGE _Software.Entry_ID ? _Software.ID 2 _Software.Name CYRANGE _Software.Version 2.0 _Software.Details . save_ save_Structure_validation_residue _Structure_validation_residue.Sf_category structure_validation _Structure_validation_residue.Sf_framecode Structure_validation_residue _Structure_validation_residue.Entry_ID ? _Structure_validation_residue.List_ID 1 _Structure_validation_residue.PDB_accession_code 1i17 _Structure_validation_residue.Date_analyzed 2016-10-06 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 ' 5' ' ' ASN . . . . . . . . . . . . . 1.3 t30 . . . . . 0 CA--C 1.55 0.978 0 CA-C-O 122.059 0.933 . . . . 10.0 109.989 . . . . . . . . . 0 0 . 1 . 001 nuclear orig core ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 22.7 ptt-85 -92.87 151.6 40.9 Favored Pre-proline 0 N--CA 1.478 0.961 0 C-N-CA 127.552 2.341 . . . . 10.0 111.382 178.965 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 7' ' ' PRO . . . . . . . . . . . . . 31.6 Cg_endo -59.0 117.94 4.75 Favored 'Trans proline' 0 CA--C 1.538 0.717 0 C-N-CA 122.89 2.393 . . . . 10.0 111.234 -177.553 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . 115.95 -17.02 15.51 Favored Glycine 0 CA--C 1.54 1.65 0 C-N-CA 127.507 2.479 . . . . 10.0 113.899 -169.802 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -61.11 134.1 56.7 Favored 'General case' 0 CA--C 1.545 0.759 0 CA-C-N 119.799 1.799 . . . . 10.0 113.268 -172.09 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 10' ' ' PHE . . . . . . . . . . . . . 20.6 m-30 -60.15 148.2 36.98 Favored 'General case' 0 CA--C 1.541 0.634 0 C-N-CA 124.314 1.046 . . . . 10.0 113.406 174.592 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 67.4 mt -122.38 96.97 4.42 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.506 0 C-N-CA 125.97 1.708 . . . . 10.0 107.061 169.664 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 84.0 mttt -92.07 89.35 6.91 Favored 'General case' 0 N--CA 1.474 0.746 0 C-N-CA 125.111 1.364 . . . . 10.0 110.554 -177.652 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 26.4 mt-30 -79.19 -24.61 43.05 Favored 'General case' 0 CA--C 1.541 0.617 0 C-N-CA 124.099 0.959 . . . . 10.0 111.753 171.995 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . 82.74 6.83 88.11 Favored Glycine 0 CA--C 1.536 1.401 0 C-N-CA 125.025 1.298 . . . . 10.0 114.232 -179.569 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 46.4 ttp180 -69.83 128.33 36.01 Favored 'General case' 0 N--CA 1.47 0.561 0 C-N-CA 127.028 2.131 . . . . 10.0 110.877 177.553 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 48.8 tttm -70.75 133.97 47.03 Favored 'General case' 0 N--CA 1.474 0.751 0 C-N-CA 123.778 0.831 . . . . 10.0 110.66 171.655 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 62.3 mt -105.79 -179.78 4.04 Favored 'General case' 0 CA--C 1.546 0.79 0 C-N-CA 126.918 2.087 . . . . 10.0 111.986 177.775 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 19.7 t0 -130.37 99.45 5.02 Favored 'General case' 0 CA--C 1.542 0.66 0 C-N-CA 126.037 1.735 . . . . 10.0 110.435 175.452 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . 70.0 mt -138.32 134.31 43.87 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.747 0 C-N-CA 127.45 2.3 . . . . 10.0 108.351 -177.64 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 23.6 t0 -86.46 93.13 9.06 Favored 'General case' 0 CA--C 1.541 0.62 0 CA-C-O 122.054 0.931 . . . . 10.0 110.347 169.781 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 21' ' ' PHE . . . . . . . . . . . . . 80.0 m-85 -74.18 -31.4 62.65 Favored 'General case' 0 CA--C 1.54 0.57 0 C-N-CA 126.493 1.917 . . . . 10.0 112.402 172.34 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 120.43 157.66 10.25 Favored Glycine 0 CA--C 1.532 1.14 0 C-N-CA 127.254 2.359 . . . . 10.0 109.914 -169.279 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -40.92 -59.07 1.53 Allowed 'General case' 0 CA--C 1.545 0.767 0 N-CA-C 115.198 1.555 . . . . 10.0 115.198 -169.68 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 9.2 mm-40 -63.12 -46.41 87.45 Favored 'General case' 0 N--CA 1.474 0.761 0 C-N-CA 124.016 0.927 . . . . 10.0 112.237 179.896 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -63.92 -39.14 97.03 Favored Glycine 0 CA--C 1.532 1.141 0 C-N-CA 124.645 1.117 . . . . 10.0 114.091 179.276 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 92.9 m-20 -58.05 -51.83 68.03 Favored 'General case' 0 CA--C 1.536 0.418 0 C-N-CA 126.041 1.736 . . . . 10.0 110.334 174.553 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 39.4 mtm105 -58.78 -46.76 86.79 Favored 'General case' 0 N--CA 1.477 0.914 0 C-N-CA 123.682 0.793 . . . . 10.0 111.823 174.372 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 28' ' ' TYR . . . . . . . . . . . . . 79.7 t80 -58.84 -53.15 61.65 Favored 'General case' 0 CA--C 1.535 0.403 0 C-N-CA 124.016 0.927 . . . . 10.0 112.144 179.851 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 29' ' ' TYR . . . . . . . . . . . . . 80.4 t80 -56.78 -52.05 66.55 Favored 'General case' 0 CA--C 1.536 0.405 0 C-N-CA 124.445 1.098 . . . . 10.0 112.312 175.708 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -50.72 -37.75 43.39 Favored 'General case' 0 CA--C 1.546 0.826 0 N-CA-C 113.541 0.941 . . . . 10.0 113.541 177.485 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -83.33 -23.69 32.43 Favored 'General case' 0 CA--C 1.551 1.006 0 N-CA-C 115.299 1.592 . . . . 10.0 115.299 176.452 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 32' ' ' ASN . . . . . . . . . . . . . 56.2 m-80 -129.93 11.47 5.6 Favored 'General case' 0 CA--C 1.549 0.92 0 N-CA-C 116.736 2.125 . . . . 10.0 116.736 -169.109 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 33' ' ' TYR . . . . . . . . . . . . . 44.4 p90 -50.59 -30.92 14.43 Favored 'General case' 0 N--CA 1.479 0.986 0 N-CA-C 115.207 1.558 . . . . 10.0 115.207 -174.635 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 34' ' ' TRP . . . . . . . . . . . . . 66.2 p-90 -50.03 -34.36 21.11 Favored 'General case' 0 CA--C 1.545 0.772 0 C-N-CA 126.189 1.795 . . . . 10.0 114.472 174.507 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 31.9 mt-30 -70.01 -32.62 70.87 Favored 'General case' 0 N--CA 1.474 0.743 0 N-CA-C 114.34 1.237 . . . . 10.0 114.34 178.552 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 36' ' ' PHE . . . . . . . . . . . . . 68.9 m-85 -79.21 154.94 77.23 Favored Pre-proline 0 CA--C 1.547 0.859 0 C-N-CA 126.221 1.809 . . . . 10.0 114.803 -168.954 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 69.7 Cg_endo -74.08 133.32 17.89 Favored 'Trans proline' 0 CA--C 1.541 0.858 0 C-N-CA 124.008 3.139 . . . . 10.0 110.983 169.866 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 6.3 t70 -85.13 -34.45 22.14 Favored 'General case' 0 N--CA 1.474 0.751 0 C-N-CA 124.067 0.947 . . . . 10.0 111.423 171.369 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . -133.68 174.62 20.67 Favored Glycine 0 CA--C 1.532 1.135 0 C-N-CA 125.686 1.612 . . . . 10.0 112.132 171.991 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 40' ' ' ILE . . . . . . . . . . . . . 96.3 mt -136.69 126.15 37.94 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.628 0 C-N-CA 125.069 1.347 . . . . 10.0 108.562 176.978 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 41' ' ' TYR . . . . . . . . . . . . . 75.5 t80 -71.95 95.48 1.58 Allowed 'General case' 0 CA--C 1.536 0.426 0 C-N-CA 124.077 0.951 . . . . 10.0 109.59 169.848 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 42' ' ' TYR . . . . . . . . . . . . . 88.7 t80 -153.71 134.63 13.86 Favored 'General case' 0 C--O 1.236 0.379 0 C-N-CA 124.924 1.29 . . . . 10.0 109.961 174.281 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 47.0 mt-10 -130.94 80.36 1.94 Allowed 'General case' 0 N--CA 1.469 0.511 0 C-N-CA 125.36 1.464 . . . . 10.0 110.293 -177.339 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . -69.65 -29.26 71.4 Favored Glycine 0 CA--C 1.536 1.362 0 C-N-CA 124.9 1.238 . . . . 10.0 114.006 178.379 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 45' ' ' CYS . . . . . . . . . . . . . 64.5 m -58.29 127.07 30.26 Favored 'General case' 0 CA--C 1.543 0.705 0 C-N-CA 126.293 1.837 . . . . 10.0 112.894 -178.533 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 23.8 t -141.7 -58.71 0.48 Allowed 'General case' 0 N--CA 1.471 0.606 0 C-N-CA 125.59 1.556 . . . . 10.0 111.505 177.207 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 11.2 pt-20 -148.12 160.38 42.96 Favored 'General case' 0 N--CA 1.472 0.645 0 C-N-CA 125.802 1.641 . . . . 10.0 112.006 -179.93 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -55.5 -22.29 20.45 Favored 'General case' 0 CA--C 1.545 0.772 0 N-CA-C 115.811 1.782 . . . . 10.0 115.811 -175.22 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 74.2 m-20 -64.05 -30.54 71.6 Favored 'General case' 0 CA--C 1.546 0.799 0 C-N-CA 124.349 1.06 . . . . 10.0 113.333 171.814 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . 48.5 t -66.11 126.78 26.13 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.842 0 C-N-CA 124.335 1.054 . . . . 10.0 109.02 169.908 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 3.3 m -110.11 165.55 11.66 Favored 'General case' 0 N--CA 1.481 1.095 0 C-N-CA 124.295 1.038 . . . . 10.0 110.328 -176.723 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 82.9 tttt -58.45 -50.63 73.01 Favored 'General case' 0 N--CA 1.472 0.668 0 O-C-N 121.043 -1.036 . . . . 10.0 112.486 177.775 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 46.0 mt-10 -51.62 -45.25 63.2 Favored 'General case' 0 N--CA 1.475 0.802 0 C-N-CA 124.008 0.923 . . . . 10.0 112.48 175.388 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 54' ' ' MET . . . . . . . . . . . . . 89.6 mtp -58.18 -55.33 36.36 Favored 'General case' 0 N--CA 1.471 0.583 0 C-N-CA 124.579 1.152 . . . . 10.0 111.49 172.4 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 8.9 tt -58.68 -52.6 65.02 Favored 'General case' 0 CA--C 1.534 0.348 0 C-N-CA 125.1 1.36 . . . . 10.0 112.773 -176.805 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 46.0 t -58.07 -48.8 83.44 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.909 0 C-N-CA 124.319 1.048 . . . . 10.0 111.051 -178.888 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 57' ' ' THR . . . . . . . . . . . . . 48.7 m -58.27 -50.3 74.09 Favored 'General case' 0 N--CA 1.476 0.856 0 C-N-CA 124.253 1.021 . . . . 10.0 111.781 174.949 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 50.1 m -60.96 -39.79 90.87 Favored 'General case' 0 N--CA 1.472 0.649 0 C-N-CA 124.279 1.032 . . . . 10.0 112.589 178.089 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 59' ' ' CYS . . . . . . . . . . . . . 38.2 t -58.89 -49.55 77.35 Favored 'General case' 0 CA--C 1.536 0.421 0 C-N-CA 126.06 1.744 . . . . 10.0 112.391 173.526 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 60' ' ' VAL . . . . . . . . . . . . . 54.3 t -54.7 -49.61 66.78 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.96 0 C-N-CA 123.931 0.892 . . . . 10.0 111.346 172.241 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 61' ' ' ASN . . . . . . . . . . . . . 19.6 m-80 -58.26 -46.04 86.72 Favored 'General case' 0 CA--C 1.546 0.802 0 C-N-CA 124.731 1.212 . . . . 10.0 113.18 175.558 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -60.88 -47.24 87.27 Favored 'General case' 0 CA--C 1.537 0.453 0 C-N-CA 124.469 1.108 . . . . 10.0 111.31 175.376 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 63' ' ' THR . . . . . . . . . . . . . 28.5 m -55.92 -48.43 75.7 Favored 'General case' 0 N--CA 1.471 0.622 0 C-N-CA 125.135 1.374 . . . . 10.0 111.611 176.916 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 64' ' ' GLN . . . . . . . . . . . . . 68.8 mt-30 -49.81 -60.2 3.12 Favored 'General case' 0 N--CA 1.47 0.573 0 C-N-CA 124.689 1.196 . . . . 10.0 111.843 171.138 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -56.09 -42.89 77.43 Favored 'General case' 0 CA--C 1.544 0.716 0 C-N-CA 125.624 1.569 . . . . 10.0 113.712 -179.29 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -68.61 -42.67 77.79 Favored 'General case' 0 CA--C 1.542 0.667 0 C-N-CA 124.996 1.318 . . . . 10.0 114.101 -179.241 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 67' ' ' ASN . . . . . . . . . . . . . 7.6 m-80 -115.88 39.46 3.03 Favored 'General case' 0 CA--C 1.546 0.789 0 C-N-CA 124.544 1.138 . . . . 10.0 112.532 -169.683 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 68' ' ' GLN . . . . . . . . . . . . . 59.5 mt-30 -51.49 -48.32 62.92 Favored 'General case' 0 N--CA 1.475 0.778 0 C-N-CA 125.631 1.572 . . . . 10.0 113.258 -177.141 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -55.11 -48.78 73.15 Favored 'General case' 0 CA--C 1.541 0.62 0 C-N-CA 125.088 1.355 . . . . 10.0 113.041 179.802 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 10.0 mm-40 -54.36 -56.47 18.23 Favored 'General case' 0 N--CA 1.473 0.693 0 C-N-CA 124.945 1.298 . . . . 10.0 111.165 179.111 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 71' ' ' PHE . . . . . . . . . . . . . 26.3 m-85 -58.33 -51.52 69.44 Favored 'General case' 0 CA--C 1.535 0.398 0 C-N-CA 124.327 1.051 . . . . 10.0 112.224 177.5 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 65.7 m -55.5 -49.69 71.91 Favored 'General case' 0 N--CA 1.474 0.761 0 C-N-CA 124.966 1.306 . . . . 10.0 113.036 -178.749 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 73' ' ' ARG . . . . . . . . . . . . . 98.2 mtt180 -59.84 -51.24 70.55 Favored 'General case' 0 N--CA 1.475 0.784 0 C-N-CA 125.536 1.534 . . . . 10.0 112.187 177.857 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 41.8 mm-40 -66.31 -60.01 3.17 Favored 'General case' 0 CA--C 1.541 0.6 0 C-N-CA 124.676 1.191 . . . . 10.0 113.135 -178.596 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 43.0 tttm -35.26 -51.46 0.57 Allowed 'General case' 0 N--CA 1.479 1.022 0 C-N-CA 128.505 2.722 . . . . 10.0 116.212 -169.957 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 76' ' ' GLN . . . . . . . . . . . . . 17.3 mm100 -60.34 -19.88 57.17 Favored 'General case' 0 CA--C 1.545 0.77 0 N-CA-C 114.566 1.321 . . . . 10.0 114.566 -172.433 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 32.2 t70 -130.32 -45.33 1.11 Allowed 'General case' 0 N--CA 1.473 0.713 0 C-N-CA 125.741 1.616 . . . . 10.0 112.579 175.608 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -78.91 53.91 1.48 Allowed 'General case' 0 CA--C 1.545 0.761 0 C-N-CA 127.937 2.495 . . . . 10.0 112.726 -175.436 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 99.3 mttt -59.21 -48.86 80.04 Favored 'General case' 0 N--CA 1.476 0.869 0 C-N-CA 125.806 1.642 . . . . 10.0 112.815 -175.023 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 44.8 tp -59.34 -44.93 92.59 Favored 'General case' 0 N--CA 1.47 0.569 0 C-N-CA 123.656 0.783 . . . . 10.0 111.817 173.963 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 81' ' ' HIS . . . . . . . . . . . . . 17.2 t-160 -52.02 -52.91 47.67 Favored 'General case' 0 N--CA 1.471 0.595 0 CA-C-O 118.384 -0.817 . . . . 10.0 111.477 176.753 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 82' ' ' GLN . . . . . . . . . . . . . 20.6 mm100 -49.68 -54.19 20.11 Favored 'General case' 0 N--CA 1.472 0.636 0 C-N-CA 123.814 0.846 . . . . 10.0 112.554 176.756 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 83' ' ' ARG . . . . . . . . . . . . . 71.5 ttt-85 -51.35 -56.6 12.22 Favored 'General case' 0 N--CA 1.478 0.941 0 C-N-CA 124.345 1.058 . . . . 10.0 112.329 178.052 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 84' ' ' VAL . . . . . . . . . . . . . 45.9 t -58.52 -50.55 78.51 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.924 0 C-N-CA 125.809 1.643 . . . . 10.0 110.984 179.119 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 85' ' ' LEU . . . . . . . . . . . . . 48.9 tp -55.18 -50.34 69.59 Favored 'General case' 0 CA--C 1.537 0.476 0 C-N-CA 126.446 1.898 . . . . 10.0 112.313 177.461 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 86' ' ' TRP . . . . . . . . . . . . . 61.0 m95 -60.82 -43.68 97.89 Favored 'General case' 0 N--CA 1.47 0.528 0 N-CA-C 113.885 1.069 . . . . 10.0 113.885 175.489 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 87' ' ' ARG . . . . . . . . . . . . . 37.4 tpt85 -55.68 -45.51 77.76 Favored 'General case' 0 N--CA 1.476 0.849 0 C-N-CA 123.602 0.761 . . . . 10.0 112.116 173.246 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 88' ' ' LEU . . . . . . . . . . . . . 34.1 tp -64.51 -49.69 70.32 Favored 'General case' 0 CA--C 1.541 0.61 0 C-N-CA 125.037 1.335 . . . . 10.0 112.956 173.289 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 89' ' ' ILE . . . . . . . . . . . . . 66.8 mt -50.04 -49.39 21.9 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.82 0 CA-C-N 119.422 1.01 . . . . 10.0 110.429 173.649 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 85.4 tttt -56.82 -47.88 79.29 Favored 'General case' 0 N--CA 1.469 0.477 0 CA-C-O 118.123 -0.942 . . . . 10.0 112.699 173.463 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 25.2 tp10 -51.35 -50.82 58.75 Favored 'General case' 0 N--CA 1.475 0.794 0 CA-C-N 119.816 1.189 . . . . 10.0 112.34 173.562 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 92' ' ' ILE . . . . . . . . . . . . . 93.8 mt -58.1 -52.44 58.59 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.771 0 C-N-CA 124.837 1.255 . . . . 10.0 111.155 175.442 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 93' ' ' CYS . . . . . . . . . . . . . 81.1 m -56.26 -45.94 79.87 Favored 'General case' 0 CA--C 1.545 0.787 0 C-N-CA 124.403 1.081 . . . . 10.0 112.639 178.066 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 58.0 m -60.38 -38.45 83.99 Favored 'General case' 0 N--CA 1.475 0.782 0 C-N-CA 125.552 1.541 . . . . 10.0 113.68 171.806 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . -64.95 -51.64 60.7 Favored 'General case' 0 CA--C 1.544 0.718 0 C-N-CA 124.569 1.148 . . . . 10.0 113.118 -179.372 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 96' ' ' LYS . . . . . . . . . . . . . 1.5 ptpm? -59.81 119.15 7.13 Favored 'General case' 0 N--CA 1.48 1.033 0 C-N-CA 123.772 0.829 . . . . 10.0 111.897 178.849 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 97' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER -130.62 141.96 50.44 Favored 'General case' 0 N--CA 1.468 0.459 0 C-N-CA 126.063 1.745 . . . . 10.0 113.957 -169.888 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 98' ' ' CYS . . . . . . . . . . . . . 34.1 m -83.43 131.77 35.01 Favored 'General case' 0 CA--C 1.537 0.473 0 C-N-CA 123.53 0.732 . . . . 10.0 112.256 -179.477 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 99' ' ' ASP . . . . . . . . . . . . . 31.9 t70 -59.21 -38.96 81.21 Favored 'General case' 0 CA--C 1.543 0.702 0 C-N-CA 124.778 1.231 . . . . 10.0 113.022 178.138 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 100' ' ' PHE . . . . . . . . . . . . . 5.8 p90 -68.96 -14.24 62.92 Favored 'General case' 0 CA--C 1.544 0.721 0 N-CA-C 115.39 1.626 . . . . 10.0 115.39 -178.838 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 101' ' ' TRP . . . . . . . . . . . . . 22.1 m0 . . . . . 0 N--CA 1.472 0.674 0 CA-C-N 120.067 1.303 . . . . 10.0 112.672 -176.494 . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A ' 5' ' ' ASN . . . . . . . . . . . . . 13.6 t-20 . . . . . 0 CA--C 1.548 0.894 0 CA-C-O 122.285 1.04 . . . . 10.0 110.71 . . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -83.34 157.84 64.55 Favored Pre-proline 0 CA--C 1.546 0.802 0 C-N-CA 127.011 2.124 . . . . 10.0 112.154 171.978 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 7' ' ' PRO . . . . . . . . . . . . . 82.4 Cg_exo -48.68 124.72 11.46 Favored 'Trans proline' 0 C--N 1.35 0.651 0 C-N-CA 123.984 3.123 . . . . 10.0 113.662 178.808 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . 112.17 -20.37 21.51 Favored Glycine 0 CA--C 1.534 1.257 0 C-N-CA 126.184 1.849 . . . . 10.0 114.149 -174.019 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -57.93 129.82 43.66 Favored 'General case' 0 CA--C 1.547 0.838 0 CA-C-N 119.318 1.559 . . . . 10.0 113.445 -171.793 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 10' ' ' PHE . . . . . . . . . . . . . 14.7 m-30 -57.16 144.84 33.44 Favored 'General case' 0 CA--C 1.541 0.625 0 C-N-CA 125.055 1.342 . . . . 10.0 112.816 173.628 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 73.7 mt -122.33 105.66 16.56 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.509 0 C-N-CA 125.357 1.463 . . . . 10.0 107.165 169.799 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 78.5 mttt -106.64 107.38 18.36 Favored 'General case' 0 N--CA 1.471 0.615 0 C-N-CA 126.063 1.745 . . . . 10.0 109.638 178.069 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 31.8 mt-30 -112.78 -40.47 4.01 Favored 'General case' 0 CA--C 1.538 0.512 0 C-N-CA 127.616 2.367 . . . . 10.0 110.789 -178.459 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . 106.35 62.72 0.6 Allowed Glycine 0 CA--C 1.528 0.891 0 C-N-CA 125.825 1.679 . . . . 10.0 111.038 179.351 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 57.7 ttp85 -136.4 102.54 4.99 Favored 'General case' 0 N--CA 1.469 0.523 0 C-N-CA 126.538 1.935 . . . . 10.0 110.42 -169.665 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 40.9 tttm -65.91 129.95 41.56 Favored 'General case' 0 N--CA 1.473 0.702 0 C-N-CA 124.391 1.076 . . . . 10.0 111.307 179.348 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 65.0 mt -95.2 -179.87 4.95 Favored 'General case' 0 CA--C 1.547 0.84 0 C-N-CA 126.451 1.9 . . . . 10.0 111.986 174.25 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 25.9 t70 -129.18 100.42 5.61 Favored 'General case' 0 CA--C 1.542 0.651 0 C-N-CA 125.365 1.466 . . . . 10.0 110.501 173.616 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . 73.1 mt -135.32 131.89 52.04 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.707 0 C-N-CA 127.472 2.309 . . . . 10.0 108.018 -176.097 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 24.1 t0 -89.74 84.68 6.3 Favored 'General case' 0 CA--C 1.54 0.576 0 CA-C-O 122.048 0.928 . . . . 10.0 110.955 172.529 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 21' ' ' PHE . . . . . . . . . . . . . 83.8 m-85 -62.91 -43.16 99.54 Favored 'General case' 0 CA--C 1.539 0.553 0 C-N-CA 127.0 2.12 . . . . 10.0 111.89 170.837 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 132.16 157.47 8.64 Favored Glycine 0 CA--C 1.532 1.115 0 C-N-CA 128.186 2.803 . . . . 10.0 109.087 -169.306 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -40.63 -59.29 1.4 Allowed 'General case' 0 CA--C 1.547 0.848 0 CA-C-N 119.354 1.577 . . . . 10.0 115.151 -169.612 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 5.3 tp10 -65.7 -40.11 91.95 Favored 'General case' 0 N--CA 1.474 0.76 0 C-N-CA 124.01 0.924 . . . . 10.0 112.869 -179.553 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -67.49 -41.63 90.14 Favored Glycine 0 CA--C 1.533 1.204 0 C-N-CA 124.41 1.005 . . . . 10.0 113.66 177.344 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 78.5 m-20 -56.09 -50.53 70.77 Favored 'General case' 0 CA--C 1.535 0.399 0 C-N-CA 126.434 1.894 . . . . 10.0 110.27 172.354 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 30.8 mtp85 -55.09 -51.83 65.13 Favored 'General case' 0 N--CA 1.475 0.807 0 C-N-CA 125.613 1.565 . . . . 10.0 111.151 174.122 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 28' ' ' TYR . . . . . . . . . . . . . 62.6 t80 -57.77 -54.81 42.7 Favored 'General case' 0 CA--C 1.536 0.429 0 C-N-CA 124.369 1.068 . . . . 10.0 112.675 179.148 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 29' ' ' TYR . . . . . . . . . . . . . 78.8 t80 -56.62 -52.39 65.03 Favored 'General case' 0 CA--C 1.537 0.481 0 C-N-CA 124.249 1.02 . . . . 10.0 112.204 177.028 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -51.06 -39.66 56.51 Favored 'General case' 0 CA--C 1.546 0.792 0 N-CA-C 113.507 0.929 . . . . 10.0 113.507 177.087 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -80.66 -26.16 37.8 Favored 'General case' 0 CA--C 1.551 1.004 0 N-CA-C 115.18 1.548 . . . . 10.0 115.18 176.562 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 32' ' ' ASN . . . . . . . . . . . . . 55.6 m-80 -127.93 10.69 6.5 Favored 'General case' 0 CA--C 1.548 0.866 0 N-CA-C 116.914 2.19 . . . . 10.0 116.914 -169.021 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 33' ' ' TYR . . . . . . . . . . . . . 47.3 p90 -50.24 -31.53 14.28 Favored 'General case' 0 N--CA 1.479 1.004 0 C-N-CA 125.394 1.477 . . . . 10.0 114.834 -175.371 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 34' ' ' TRP . . . . . . . . . . . . . 64.9 p-90 -50.64 -33.65 23.25 Favored 'General case' 0 CA--C 1.545 0.781 0 C-N-CA 126.142 1.777 . . . . 10.0 114.445 173.803 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 30.7 mt-30 -69.59 -35.64 75.52 Favored 'General case' 0 N--CA 1.474 0.731 0 C-N-CA 124.354 1.062 . . . . 10.0 113.491 176.392 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 36' ' ' PHE . . . . . . . . . . . . . 54.3 m-85 -76.57 153.16 83.56 Favored Pre-proline 0 CA--C 1.544 0.724 0 C-N-CA 125.887 1.675 . . . . 10.0 113.256 -169.652 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 87.7 Cg_endo -73.36 102.71 1.51 Allowed 'Trans proline' 0 CA--C 1.537 0.638 0 C-N-CA 123.428 2.752 . . . . 10.0 109.951 169.591 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 3.3 p30 -66.67 -27.82 67.96 Favored 'General case' 0 N--CA 1.474 0.77 0 O-C-N 120.777 -1.202 . . . . 10.0 112.292 176.402 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . -125.95 165.44 19.12 Favored Glycine 0 CA--C 1.536 1.376 0 C-N-CA 125.404 1.478 . . . . 10.0 111.332 169.105 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 40' ' ' ILE . . . . . . . . . . . . . 95.2 mt -136.68 124.73 34.13 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.781 0 C-N-CA 124.802 1.241 . . . . 10.0 108.717 173.408 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 41' ' ' TYR . . . . . . . . . . . . . 85.7 t80 -73.23 117.68 15.27 Favored 'General case' 0 CA--C 1.534 0.357 0 C-N-CA 124.047 0.939 . . . . 10.0 109.494 169.961 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 42' ' ' TYR . . . . . . . . . . . . . 79.6 t80 -152.63 154.29 35.05 Favored 'General case' 0 CA--C 1.54 0.567 0 C-N-CA 124.004 0.922 . . . . 10.0 111.611 176.611 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 44.7 mt-10 -125.88 94.21 4.05 Favored 'General case' 0 N--CA 1.469 0.514 0 C-N-CA 125.873 1.669 . . . . 10.0 110.233 -176.691 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . -90.96 -55.64 1.84 Allowed Glycine 0 CA--C 1.532 1.102 0 C-N-CA 125.166 1.365 . . . . 10.0 113.978 -172.618 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 45' ' ' CYS . . . . . . . . . . . . . 74.3 m -56.64 118.88 5.29 Favored 'General case' 0 CA--C 1.546 0.808 0 C-N-CA 125.426 1.491 . . . . 10.0 112.551 177.685 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 66.6 p -137.84 -58.72 0.67 Allowed 'General case' 0 N--CA 1.473 0.679 0 C-N-CA 126.175 1.79 . . . . 10.0 111.353 171.077 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 12.2 pt-20 -143.72 153.23 42.24 Favored 'General case' 0 CA--C 1.542 0.67 0 C-N-CA 126.168 1.787 . . . . 10.0 112.761 177.048 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -54.05 -25.37 21.17 Favored 'General case' 0 CA--C 1.546 0.793 0 C-N-CA 126.138 1.775 . . . . 10.0 115.423 -175.262 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 78.5 m-20 -60.61 -30.7 70.01 Favored 'General case' 0 CA--C 1.544 0.741 0 C-N-CA 124.675 1.19 . . . . 10.0 113.353 174.729 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . 59.8 t -65.52 109.9 1.1 Allowed 'Isoleucine or valine' 0 N--CA 1.477 0.879 0 C-N-CA 124.822 1.249 . . . . 10.0 110.183 175.475 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 44.2 p -83.01 174.97 10.41 Favored 'General case' 0 N--CA 1.478 0.943 0 C-N-CA 124.673 1.189 . . . . 10.0 112.113 175.771 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 84.9 tttt -60.03 -50.0 75.46 Favored 'General case' 0 N--CA 1.474 0.773 0 O-C-N 121.163 -0.961 . . . . 10.0 111.799 169.806 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 44.9 mt-10 -51.29 -48.6 62.22 Favored 'General case' 0 N--CA 1.471 0.594 0 C-N-CA 124.072 0.949 . . . . 10.0 111.726 175.428 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 54' ' ' MET . . . . . . . . . . . . . 97.2 mtp -57.07 -56.26 24.08 Favored 'General case' 0 N--CA 1.469 0.479 0 C-N-CA 124.027 0.931 . . . . 10.0 112.441 172.029 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 6.4 tt -58.47 -55.18 38.4 Favored 'General case' 0 CA--C 1.54 0.559 0 C-N-CA 124.943 1.297 . . . . 10.0 112.18 -174.616 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 99.6 t -57.42 -48.65 82.31 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.822 0 C-N-CA 125.679 1.592 . . . . 10.0 111.252 -179.722 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 57' ' ' THR . . . . . . . . . . . . . 63.8 m -61.42 -47.76 84.3 Favored 'General case' 0 N--CA 1.478 0.947 0 C-N-CA 124.183 0.993 . . . . 10.0 111.749 176.691 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 61.6 m -60.04 -38.57 83.16 Favored 'General case' 0 N--CA 1.47 0.554 0 C-N-CA 124.221 1.008 . . . . 10.0 112.357 176.57 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 59' ' ' CYS . . . . . . . . . . . . . 34.6 t -57.65 -49.64 75.79 Favored 'General case' 0 CA--C 1.539 0.524 0 C-N-CA 124.988 1.315 . . . . 10.0 112.9 171.588 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 60' ' ' VAL . . . . . . . . . . . . . 42.4 t -55.67 -48.98 77.06 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.135 0 CA-C-N 119.258 0.935 . . . . 10.0 111.585 172.666 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 61' ' ' ASN . . . . . . . . . . . . . 18.2 m-80 -58.78 -45.24 90.26 Favored 'General case' 0 CA--C 1.544 0.726 0 C-N-CA 124.554 1.142 . . . . 10.0 112.949 176.076 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -61.54 -46.15 91.14 Favored 'General case' 0 CA--C 1.538 0.516 0 C-N-CA 124.411 1.085 . . . . 10.0 111.371 175.032 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 63' ' ' THR . . . . . . . . . . . . . 33.9 m -54.87 -49.01 72.21 Favored 'General case' 0 N--CA 1.472 0.644 0 C-N-CA 125.447 1.499 . . . . 10.0 111.757 175.865 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 64' ' ' GLN . . . . . . . . . . . . . 71.2 mt-30 -50.26 -59.35 4.05 Favored 'General case' 0 N--CA 1.469 0.522 0 C-N-CA 124.594 1.157 . . . . 10.0 112.054 171.753 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -56.04 -42.19 76.17 Favored 'General case' 0 CA--C 1.546 0.798 0 C-N-CA 125.441 1.496 . . . . 10.0 113.744 179.819 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -70.65 -35.64 72.99 Favored 'General case' 0 CA--C 1.545 0.757 0 C-N-CA 125.234 1.414 . . . . 10.0 114.656 -178.788 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 67' ' ' ASN . . . . . . . . . . . . . 7.1 m-80 -124.73 40.35 3.76 Favored 'General case' 0 N--CA 1.476 0.845 0 C-N-CA 124.042 0.937 . . . . 10.0 113.108 -169.631 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 68' ' ' GLN . . . . . . . . . . . . . 92.1 mt-30 -52.89 -46.7 68.09 Favored 'General case' 0 N--CA 1.475 0.793 0 C-N-CA 125.806 1.642 . . . . 10.0 113.611 -176.046 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -55.03 -49.32 71.87 Favored 'General case' 0 CA--C 1.541 0.613 0 C-N-CA 124.993 1.317 . . . . 10.0 112.767 179.796 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 10.4 mm-40 -56.39 -51.57 67.83 Favored 'General case' 0 N--CA 1.471 0.582 0 C-N-CA 124.941 1.297 . . . . 10.0 111.862 178.831 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 71' ' ' PHE . . . . . . . . . . . . . 34.6 m-85 -61.03 -43.12 99.36 Favored 'General case' 0 N--CA 1.468 0.473 0 C-N-CA 123.749 0.819 . . . . 10.0 112.851 175.922 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 56.9 m -58.1 -49.96 75.15 Favored 'General case' 0 N--CA 1.473 0.71 0 C-N-CA 124.451 1.1 . . . . 10.0 112.187 176.195 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 73' ' ' ARG . . . . . . . . . . . . . 93.7 mtt180 -58.38 -61.16 2.78 Favored 'General case' 0 N--CA 1.475 0.808 0 C-N-CA 126.273 1.829 . . . . 10.0 111.994 176.252 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 67.1 mm-40 -79.92 47.23 0.86 Allowed 'General case' 0 N--CA 1.473 0.714 0 C-N-CA 125.821 1.648 . . . . 10.0 112.714 -173.854 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 84.4 tttt -147.29 -33.55 0.27 Allowed 'General case' 0 N--CA 1.475 0.795 0 C-N-CA 126.705 2.002 . . . . 10.0 113.32 178.758 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 76' ' ' GLN . . . . . . . . . . . . . 92.6 mm-40 -48.14 -48.12 34.37 Favored 'General case' 0 N--CA 1.476 0.865 0 C-N-CA 125.629 1.572 . . . . 10.0 113.185 -177.883 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 25.4 t0 -139.51 57.22 1.64 Allowed 'General case' 0 CA--C 1.545 0.763 0 C-N-CA 125.284 1.433 . . . . 10.0 110.344 169.947 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 10.7 t -153.54 131.2 11.5 Favored 'General case' 0 N--CA 1.472 0.656 0 C-N-CA 125.34 1.456 . . . . 10.0 111.46 -178.867 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 24.4 ttmm -124.57 -59.59 1.44 Allowed 'General case' 0 N--CA 1.478 0.933 0 C-N-CA 126.22 1.808 . . . . 10.0 111.358 -177.151 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 50.1 tp -51.25 -44.01 61.64 Favored 'General case' 0 CA--C 1.538 0.515 0 C-N-CA 125.514 1.525 . . . . 10.0 112.203 176.767 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 81' ' ' HIS . . . . . . . . . . . . . 8.7 t-160 -56.28 -54.16 48.72 Favored 'General case' 0 N--CA 1.468 0.462 0 CA-C-O 118.078 -0.963 . . . . 10.0 111.806 177.064 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 82' ' ' GLN . . . . . . . . . . . . . 89.2 mm-40 -49.9 -54.41 19.8 Favored 'General case' 0 N--CA 1.477 0.91 0 CA-C-N 119.539 1.063 . . . . 10.0 112.176 177.015 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 83' ' ' ARG . . . . . . . . . . . . . 25.7 mmm180 -50.98 -55.68 16.14 Favored 'General case' 0 N--CA 1.479 0.977 0 C-N-CA 124.916 1.287 . . . . 10.0 112.296 -179.817 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 84' ' ' VAL . . . . . . . . . . . . . 43.4 t -63.19 -49.51 82.91 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.819 0 C-N-CA 125.408 1.483 . . . . 10.0 111.108 178.292 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 85' ' ' LEU . . . . . . . . . . . . . 46.2 tp -56.29 -46.41 79.77 Favored 'General case' 0 N--CA 1.47 0.545 0 C-N-CA 126.277 1.831 . . . . 10.0 112.939 -179.923 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 86' ' ' TRP . . . . . . . . . . . . . 64.9 m95 -63.5 -44.21 94.98 Favored 'General case' 0 N--CA 1.467 0.408 0 N-CA-C 113.719 1.007 . . . . 10.0 113.719 175.841 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 87' ' ' ARG . . . . . . . . . . . . . 14.8 tpt180 -56.82 -50.82 71.23 Favored 'General case' 0 N--CA 1.475 0.794 0 CA-C-N 118.741 0.7 . . . . 10.0 111.507 170.585 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 88' ' ' LEU . . . . . . . . . . . . . 2.4 tm? -51.66 -55.07 21.54 Favored 'General case' 0 CA--C 1.544 0.726 0 C-N-CA 126.389 1.876 . . . . 10.0 111.782 175.44 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 89' ' ' ILE . . . . . . . . . . . . . 74.2 mt -53.53 -52.47 32.72 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.798 0 C-N-CA 124.683 1.193 . . . . 10.0 110.965 174.074 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 39.9 ttmt -58.84 -43.46 90.71 Favored 'General case' 0 N--CA 1.47 0.571 0 C-N-CA 124.431 1.092 . . . . 10.0 113.259 -179.688 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 51.4 mm-40 -56.35 -48.89 75.88 Favored 'General case' 0 N--CA 1.473 0.719 0 CA-C-N 119.713 1.142 . . . . 10.0 111.996 172.464 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 92' ' ' ILE . . . . . . . . . . . . . 96.8 mt -57.82 -51.42 70.54 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.802 0 C-N-CA 124.186 0.994 . . . . 10.0 111.115 174.296 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 93' ' ' CYS . . . . . . . . . . . . . 92.1 m -56.97 -45.47 82.89 Favored 'General case' 0 CA--C 1.546 0.798 0 C-N-CA 124.096 0.958 . . . . 10.0 112.66 175.603 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 70.5 m -54.76 -38.04 66.71 Favored 'General case' 0 N--CA 1.476 0.874 0 C-N-CA 125.989 1.716 . . . . 10.0 113.546 177.156 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . -67.17 -17.08 64.68 Favored 'General case' 0 CA--C 1.548 0.892 0 N-CA-C 114.789 1.403 . . . . 10.0 114.789 178.455 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 96' ' ' LYS . . . . . . . . . . . . . 46.4 mttm -77.25 59.62 1.82 Allowed 'General case' 0 N--CA 1.481 1.114 0 C-N-CA 125.6 1.56 . . . . 10.0 113.168 -173.929 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 97' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER -68.45 126.25 29.04 Favored 'General case' 0 N--CA 1.471 0.618 0 C-N-CA 124.665 1.186 . . . . 10.0 112.428 177.754 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 98' ' ' CYS . . . . . . . . . . . . . 17.7 t -82.28 144.67 30.45 Favored 'General case' 0 CA--C 1.542 0.641 0 N-CA-C 113.315 0.858 . . . . 10.0 113.315 -178.248 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 99' ' ' ASP . . . . . . . . . . . . . 31.5 t70 -61.46 -48.3 81.75 Favored 'General case' 0 CA--C 1.542 0.654 0 C-N-CA 125.995 1.718 . . . . 10.0 113.582 179.208 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 100' ' ' PHE . . . . . . . . . . . . . 1.0 OUTLIER -71.55 -10.45 59.78 Favored 'General case' 0 N--CA 1.473 0.681 0 N-CA-C 115.432 1.641 . . . . 10.0 115.432 -173.397 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 101' ' ' TRP . . . . . . . . . . . . . 42.2 m0 . . . . . 0 N--CA 1.473 0.709 0 CA-C-N 119.684 1.129 . . . . 10.0 113.674 -176.986 . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A ' 5' ' ' ASN . . . . . . . . . . . . . 2.5 m120 . . . . . 0 CA--C 1.54 0.562 0 CA-C-O 122.347 1.07 . . . . 10.0 109.742 . . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 4.0 ptp180 -72.61 146.21 88.24 Favored Pre-proline 0 N--CA 1.475 0.816 0 C-N-CA 124.746 1.219 . . . . 10.0 109.7 169.162 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 7' ' ' PRO . . . . . . . . . . . . . 75.2 Cg_exo -50.58 114.77 1.6 Allowed 'Trans proline' 0 CA--C 1.541 0.828 0 C-N-CA 123.043 2.495 . . . . 10.0 112.414 175.77 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . 111.09 -10.99 29.21 Favored Glycine 0 CA--C 1.539 1.54 0 C-N-CA 126.404 1.954 . . . . 10.0 115.081 -173.95 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -59.2 130.64 47.94 Favored 'General case' 0 CA--C 1.545 0.769 0 CA-C-N 120.21 2.005 . . . . 10.0 113.405 -173.045 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 10' ' ' PHE . . . . . . . . . . . . . 15.3 m-30 -58.6 147.0 33.99 Favored 'General case' 0 CA--C 1.541 0.625 0 C-N-CA 123.853 0.861 . . . . 10.0 112.572 170.715 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 65.1 mt -120.92 94.93 3.23 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.468 0 C-N-CA 125.878 1.671 . . . . 10.0 106.995 169.725 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 58.5 mtmt -91.71 80.51 5.31 Favored 'General case' 0 N--CA 1.475 0.792 0 C-N-CA 125.598 1.559 . . . . 10.0 111.119 -173.303 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 24.3 mt-30 -74.21 -31.59 62.69 Favored 'General case' 0 N--CA 1.472 0.655 0 C-N-CA 123.795 0.838 . . . . 10.0 111.478 169.962 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . 74.35 58.91 4.07 Favored Glycine 0 CA--C 1.532 1.136 0 C-N-CA 124.895 1.236 . . . . 10.0 112.063 178.535 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 33.7 ttp180 -124.16 133.24 53.62 Favored 'General case' 0 N--CA 1.473 0.686 0 C-N-CA 127.226 2.211 . . . . 10.0 110.304 -172.359 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 79.8 tttt -73.21 100.93 3.22 Favored 'General case' 0 N--CA 1.475 0.777 0 C-N-CA 125.487 1.515 . . . . 10.0 111.888 -176.076 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 68.9 mt -78.95 163.21 25.42 Favored 'General case' 0 CA--C 1.544 0.734 0 C-N-CA 126.567 1.947 . . . . 10.0 112.356 177.109 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 11.4 m-20 -103.77 91.39 3.98 Favored 'General case' 0 CA--C 1.544 0.732 0 C-N-CA 126.112 1.765 . . . . 10.0 110.473 175.621 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . 78.9 mt -136.92 129.95 44.97 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.892 0 C-N-CA 126.608 1.963 . . . . 10.0 108.564 -179.202 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 23.0 t0 -92.23 84.93 5.29 Favored 'General case' 0 N--CA 1.471 0.588 0 C-N-CA 123.998 0.919 . . . . 10.0 110.594 172.525 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 21' ' ' PHE . . . . . . . . . . . . . 84.7 m-85 -63.78 -36.48 84.02 Favored 'General case' 0 CA--C 1.538 0.493 0 C-N-CA 127.104 2.161 . . . . 10.0 112.808 175.739 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 125.93 158.9 10.09 Favored Glycine 0 CA--C 1.533 1.211 0 C-N-CA 127.656 2.55 . . . . 10.0 110.154 -169.471 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -42.6 -57.05 2.85 Favored 'General case' 0 CA--C 1.548 0.868 0 N-CA-C 115.384 1.624 . . . . 10.0 115.384 -169.729 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 31.2 mm-40 -64.14 -47.39 80.12 Favored 'General case' 0 N--CA 1.473 0.716 0 C-N-CA 124.074 0.95 . . . . 10.0 112.188 178.973 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -64.15 -39.1 96.83 Favored Glycine 0 CA--C 1.532 1.096 0 C-N-CA 124.457 1.027 . . . . 10.0 113.975 179.832 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 94.2 m-20 -57.77 -51.39 69.74 Favored 'General case' 0 CA--C 1.536 0.431 0 C-N-CA 125.754 1.622 . . . . 10.0 110.452 173.651 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 72.9 mtp85 -58.57 -47.17 85.16 Favored 'General case' 0 N--CA 1.475 0.79 0 C-N-CA 124.938 1.295 . . . . 10.0 111.644 176.038 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 28' ' ' TYR . . . . . . . . . . . . . 71.5 t80 -59.19 -54.15 50.23 Favored 'General case' 0 CA--C 1.536 0.407 0 C-N-CA 124.574 1.149 . . . . 10.0 111.896 177.727 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 29' ' ' TYR . . . . . . . . . . . . . 74.0 t80 -56.64 -52.02 66.49 Favored 'General case' 0 CA--C 1.535 0.391 0 C-N-CA 124.917 1.287 . . . . 10.0 112.537 177.514 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -50.36 -35.77 29.41 Favored 'General case' 0 CA--C 1.546 0.809 0 N-CA-C 113.802 1.038 . . . . 10.0 113.802 177.06 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -86.25 -19.01 30.59 Favored 'General case' 0 CA--C 1.551 1.005 0 N-CA-C 115.151 1.537 . . . . 10.0 115.151 176.345 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 32' ' ' ASN . . . . . . . . . . . . . 64.0 m-80 -131.16 6.44 4.55 Favored 'General case' 0 CA--C 1.548 0.888 0 N-CA-C 116.842 2.164 . . . . 10.0 116.842 -169.239 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 33' ' ' TYR . . . . . . . . . . . . . 41.0 p90 -50.22 -29.85 10.32 Favored 'General case' 0 N--CA 1.479 0.976 0 C-N-CA 125.906 1.682 . . . . 10.0 115.256 -175.125 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 34' ' ' TRP . . . . . . . . . . . . . 64.7 p-90 -51.34 -35.64 39.21 Favored 'General case' 0 CA--C 1.545 0.762 0 C-N-CA 126.138 1.775 . . . . 10.0 114.041 173.105 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 30.1 mt-30 -70.55 -39.56 73.9 Favored 'General case' 0 N--CA 1.473 0.709 0 C-N-CA 124.897 1.279 . . . . 10.0 113.801 177.731 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 36' ' ' PHE . . . . . . . . . . . . . 71.7 m-85 -68.52 153.45 95.71 Favored Pre-proline 0 CA--C 1.546 0.791 0 C-N-CA 125.823 1.649 . . . . 10.0 115.333 -168.968 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 97.4 Cg_endo -71.77 128.24 13.98 Favored 'Trans proline' 0 CA--C 1.539 0.754 0 C-N-CA 123.591 2.86 . . . . 10.0 110.449 169.803 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 8.6 t70 -84.7 -34.47 22.95 Favored 'General case' 0 CA--C 1.543 0.676 0 C-N-CA 124.977 1.311 . . . . 10.0 111.525 173.445 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . -131.87 172.02 21.12 Favored Glycine 0 CA--C 1.532 1.13 0 C-N-CA 125.835 1.683 . . . . 10.0 111.886 171.341 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 40' ' ' ILE . . . . . . . . . . . . . 96.8 mt -136.74 124.54 33.26 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.568 0 C-N-CA 125.038 1.335 . . . . 10.0 108.367 173.836 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 41' ' ' TYR . . . . . . . . . . . . . 86.3 t80 -71.61 101.15 2.44 Favored 'General case' 0 CA--C 1.538 0.496 0 C-N-CA 123.79 0.836 . . . . 10.0 110.05 170.272 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 42' ' ' TYR . . . . . . . . . . . . . 89.5 t80 -156.62 137.1 13.06 Favored 'General case' 0 CA--C 1.534 0.343 0 C-N-CA 125.337 1.455 . . . . 10.0 110.02 173.043 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 43.9 mt-10 -131.5 81.38 1.98 Allowed 'General case' 0 N--CA 1.47 0.551 0 C-N-CA 125.465 1.506 . . . . 10.0 110.462 -174.562 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . -76.09 -38.63 34.54 Favored Glycine 0 CA--C 1.534 1.255 0 C-N-CA 124.866 1.222 . . . . 10.0 113.848 -179.465 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 45' ' ' CYS . . . . . . . . . . . . . 63.8 m -55.83 112.15 1.1 Allowed 'General case' 0 CA--C 1.543 0.679 0 C-N-CA 125.995 1.718 . . . . 10.0 112.507 -176.782 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 49.6 m -131.83 -57.27 0.99 Allowed 'General case' 0 N--CA 1.474 0.75 0 C-N-CA 125.723 1.609 . . . . 10.0 111.713 -175.198 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 11.2 pt-20 -149.59 160.74 43.24 Favored 'General case' 0 CA--C 1.541 0.6 0 C-N-CA 125.943 1.697 . . . . 10.0 111.652 179.9 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -53.05 -27.45 19.84 Favored 'General case' 0 CA--C 1.547 0.829 0 C-N-CA 126.041 1.736 . . . . 10.0 115.358 -175.292 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 73.9 m-20 -62.43 -30.71 71.43 Favored 'General case' 0 CA--C 1.545 0.753 0 C-N-CA 124.65 1.18 . . . . 10.0 113.555 174.941 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . 61.7 t -68.47 117.57 10.9 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.884 0 C-N-CA 124.69 1.196 . . . . 10.0 109.692 173.792 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 44.8 p -97.55 176.64 5.78 Favored 'General case' 0 N--CA 1.478 0.948 0 C-N-CA 124.705 1.202 . . . . 10.0 112.354 179.428 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 39.8 ttpt -61.59 -56.09 23.73 Favored 'General case' 0 N--CA 1.473 0.677 0 C-N-CA 123.842 0.857 . . . . 10.0 112.177 172.132 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 12.6 pt-20 -54.16 -38.79 65.92 Favored 'General case' 0 N--CA 1.472 0.66 0 N-CA-C 112.747 0.647 . . . . 10.0 112.747 177.543 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 54' ' ' MET . . . . . . . . . . . . . 94.3 mtp -59.99 -58.21 9.54 Favored 'General case' 0 N--CA 1.469 0.494 0 C-N-CA 123.586 0.754 . . . . 10.0 111.527 169.564 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 9.4 tt -59.27 -53.89 53.11 Favored 'General case' 0 N--CA 1.467 0.385 0 C-N-CA 124.341 1.057 . . . . 10.0 112.768 -174.513 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 31.8 t -59.03 -47.46 89.88 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.851 0 C-N-CA 124.179 0.991 . . . . 10.0 111.019 -176.203 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 57' ' ' THR . . . . . . . . . . . . . 48.0 m -58.83 -50.3 74.48 Favored 'General case' 0 N--CA 1.477 0.884 0 C-N-CA 124.432 1.093 . . . . 10.0 111.873 173.939 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 50.5 m -60.44 -40.48 91.29 Favored 'General case' 0 N--CA 1.473 0.689 0 C-N-CA 124.106 0.962 . . . . 10.0 112.577 178.262 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 59' ' ' CYS . . . . . . . . . . . . . 42.2 t -58.92 -50.1 75.32 Favored 'General case' 0 CA--C 1.536 0.433 0 C-N-CA 125.999 1.72 . . . . 10.0 112.337 173.467 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 60' ' ' VAL . . . . . . . . . . . . . 45.6 t -54.29 -50.28 57.62 Favored 'Isoleucine or valine' 0 N--CA 1.479 1.002 0 C-N-CA 123.904 0.882 . . . . 10.0 111.302 171.657 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 61' ' ' ASN . . . . . . . . . . . . . 15.8 m-80 -57.94 -44.79 87.17 Favored 'General case' 0 CA--C 1.544 0.75 0 C-N-CA 124.59 1.156 . . . . 10.0 113.334 176.218 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -60.89 -48.65 80.85 Favored 'General case' 0 CA--C 1.539 0.554 0 C-N-CA 124.211 1.004 . . . . 10.0 111.056 174.116 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 63' ' ' THR . . . . . . . . . . . . . 32.4 m -53.67 -50.14 66.46 Favored 'General case' 0 N--CA 1.471 0.617 0 C-N-CA 125.571 1.548 . . . . 10.0 111.723 177.073 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 64' ' ' GLN . . . . . . . . . . . . . 42.1 mt-30 -47.35 -60.85 2.22 Favored 'General case' 0 N--CA 1.471 0.597 0 C-N-CA 125.432 1.493 . . . . 10.0 111.985 173.156 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -56.93 -42.86 80.8 Favored 'General case' 0 CA--C 1.544 0.713 0 C-N-CA 125.637 1.575 . . . . 10.0 113.227 179.462 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -67.16 -37.76 84.29 Favored 'General case' 0 CA--C 1.543 0.695 0 C-N-CA 125.221 1.409 . . . . 10.0 114.712 -178.131 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 67' ' ' ASN . . . . . . . . . . . . . 8.6 m-80 -122.05 41.14 3.46 Favored 'General case' 0 CA--C 1.548 0.87 0 C-N-CA 124.538 1.135 . . . . 10.0 112.68 -169.79 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 68' ' ' GLN . . . . . . . . . . . . . 60.3 mt-30 -54.24 -44.86 72.13 Favored 'General case' 0 N--CA 1.475 0.799 0 C-N-CA 125.461 1.504 . . . . 10.0 113.362 -178.684 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -56.88 -39.18 73.88 Favored 'General case' 0 CA--C 1.543 0.69 0 C-N-CA 124.969 1.308 . . . . 10.0 113.279 177.683 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 5.5 mm-40 -64.63 -58.69 5.64 Favored 'General case' 0 N--CA 1.469 0.504 0 C-N-CA 124.502 1.121 . . . . 10.0 110.425 173.984 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 71' ' ' PHE . . . . . . . . . . . . . 30.0 m-85 -61.31 -29.07 69.65 Favored 'General case' 0 N--CA 1.471 0.589 0 N-CA-C 114.718 1.377 . . . . 10.0 114.718 -177.54 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 66.3 m -63.93 -57.2 10.49 Favored 'General case' 0 N--CA 1.473 0.686 0 C-N-CA 123.94 0.896 . . . . 10.0 111.758 172.696 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 73' ' ' ARG . . . . . . . . . . . . . 13.2 mtp-105 -65.35 -53.26 46.18 Favored 'General case' 0 N--CA 1.475 0.814 0 C-N-CA 126.118 1.767 . . . . 10.0 112.712 -179.861 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 76.1 mm-40 -79.84 46.8 0.81 Allowed 'General case' 0 CA--C 1.546 0.805 0 C-N-CA 126.045 1.738 . . . . 10.0 112.766 -174.876 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 41.4 ttmt -155.31 -61.46 0.11 Allowed 'General case' 0 N--CA 1.471 0.61 0 C-N-CA 128.831 2.852 . . . . 10.0 110.526 -176.187 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 76' ' ' GLN . . . . . . . . . . . . . 81.8 mm-40 -56.37 -54.02 50.43 Favored 'General case' 0 CA--C 1.538 0.491 0 C-N-CA 125.574 1.55 . . . . 10.0 111.696 178.874 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 26.8 t70 -83.56 -57.55 3.19 Favored 'General case' 0 CA--C 1.543 0.688 0 C-N-CA 123.786 0.835 . . . . 10.0 111.4 171.373 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 16.3 m -80.82 86.22 6.03 Favored 'General case' 0 N--CA 1.472 0.634 0 C-N-CA 125.12 1.368 . . . . 10.0 112.998 -173.24 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 63.0 tttp -55.45 -63.64 1.1 Allowed 'General case' 0 N--CA 1.477 0.918 0 C-N-CA 126.049 1.74 . . . . 10.0 113.429 -178.194 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 48.0 tp -66.34 -31.01 71.54 Favored 'General case' 0 N--CA 1.474 0.73 0 C-N-CA 125.047 1.339 . . . . 10.0 113.611 -175.147 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 81' ' ' HIS . . . . . . . . . . . . . 7.4 t-160 -51.68 -45.07 63.31 Favored 'General case' 0 N--CA 1.472 0.645 0 C-N-CA 124.585 1.154 . . . . 10.0 112.886 -171.466 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 82' ' ' GLN . . . . . . . . . . . . . 75.9 mm-40 -45.73 -59.54 2.72 Favored 'General case' 0 N--CA 1.475 0.787 0 C-N-CA 125.414 1.486 . . . . 10.0 113.366 178.059 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 83' ' ' ARG . . . . . . . . . . . . . 11.0 tpt180 -46.0 -57.06 4.73 Favored 'General case' 0 N--CA 1.481 1.118 0 C-N-CA 125.886 1.674 . . . . 10.0 111.839 177.825 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 84' ' ' VAL . . . . . . . . . . . . . 5.7 t -61.96 -54.08 39.27 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.589 0 C-N-CA 125.559 1.544 . . . . 10.0 110.85 -178.22 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 85' ' ' LEU . . . . . . . . . . . . . 32.8 tp -56.46 -50.9 70.36 Favored 'General case' 0 CA--C 1.537 0.478 0 C-N-CA 126.202 1.801 . . . . 10.0 112.619 -179.354 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 86' ' ' TRP . . . . . . . . . . . . . 59.7 m95 -60.29 -43.37 96.34 Favored 'General case' 0 N--CA 1.468 0.472 0 N-CA-C 113.673 0.99 . . . . 10.0 113.673 176.329 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 87' ' ' ARG . . . . . . . . . . . . . 14.4 tpt180 -56.66 -49.95 73.53 Favored 'General case' 0 N--CA 1.471 0.624 0 CA-C-N 118.832 0.742 . . . . 10.0 111.072 172.425 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 88' ' ' LEU . . . . . . . . . . . . . 1.5 tt -54.65 -52.98 60.62 Favored 'General case' 0 CA--C 1.545 0.768 0 C-N-CA 124.515 1.126 . . . . 10.0 111.801 175.83 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 89' ' ' ILE . . . . . . . . . . . . . 74.4 mt -50.3 -52.06 16.19 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.73 0 C-N-CA 124.831 1.252 . . . . 10.0 111.062 174.065 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 96.9 mttt -59.47 -44.45 93.01 Favored 'General case' 0 N--CA 1.473 0.707 0 C-N-CA 124.401 1.081 . . . . 10.0 113.428 177.624 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 65.9 mm-40 -53.53 -51.57 62.44 Favored 'General case' 0 N--CA 1.474 0.746 0 CA-C-N 119.71 1.141 . . . . 10.0 111.765 170.887 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 92' ' ' ILE . . . . . . . . . . . . . 96.7 mt -57.65 -53.5 43.85 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.935 0 C-N-CA 124.269 1.028 . . . . 10.0 111.651 175.331 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 93' ' ' CYS . . . . . . . . . . . . . 62.8 m -56.37 -40.2 74.17 Favored 'General case' 0 CA--C 1.545 0.762 0 C-N-CA 124.707 1.203 . . . . 10.0 112.52 179.419 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 50.5 m -63.31 -45.63 90.43 Favored 'General case' 0 N--CA 1.476 0.842 0 C-N-CA 125.046 1.339 . . . . 10.0 112.7 171.477 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . -59.99 -39.58 86.23 Favored 'General case' 0 CA--C 1.545 0.759 0 C-N-CA 125.492 1.517 . . . . 10.0 114.225 -175.58 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 96' ' ' LYS . . . . . . . . . . . . . 1.1 ptpm? -72.99 49.8 0.25 Allowed 'General case' 0 N--CA 1.485 1.287 0 C-N-CA 125.739 1.615 . . . . 10.0 113.995 178.414 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 97' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -64.66 142.15 58.53 Favored 'General case' 0 N--CA 1.472 0.655 0 C-N-CA 127.127 2.171 . . . . 10.0 113.619 179.092 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 98' ' ' CYS . . . . . . . . . . . . . 33.1 m -79.48 137.82 37.35 Favored 'General case' 0 CA--C 1.539 0.539 0 C-N-CA 123.329 0.651 . . . . 10.0 112.29 177.816 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 99' ' ' ASP . . . . . . . . . . . . . 31.8 t70 -61.81 -39.48 91.91 Favored 'General case' 0 CA--C 1.544 0.712 0 C-N-CA 124.705 1.202 . . . . 10.0 112.877 176.645 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 100' ' ' PHE . . . . . . . . . . . . . 6.1 p90 -68.66 -13.67 62.52 Favored 'General case' 0 CA--C 1.544 0.714 0 N-CA-C 115.738 1.755 . . . . 10.0 115.738 -175.536 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 101' ' ' TRP . . . . . . . . . . . . . 42.7 m0 . . . . . 0 N--CA 1.474 0.764 0 CA-C-N 119.942 1.246 . . . . 10.0 112.692 -178.117 . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A ' 5' ' ' ASN . . . . . . . . . . . . . 14.8 t-20 . . . . . 0 CA--C 1.546 0.798 0 CA-C-O 122.05 0.929 . . . . 10.0 110.566 . . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 14.1 ptp180 -94.42 156.06 39.05 Favored Pre-proline 0 N--CA 1.476 0.836 0 C-N-CA 126.299 1.84 . . . . 10.0 111.577 173.258 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 7' ' ' PRO . . . . . . . . . . . . . 84.1 Cg_exo -48.18 118.72 3.38 Favored 'Trans proline' 0 CA--C 1.54 0.787 0 C-N-CA 123.603 2.868 . . . . 10.0 112.791 175.427 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . 116.78 -21.97 10.99 Favored Glycine 0 CA--C 1.536 1.395 0 C-N-CA 127.091 2.281 . . . . 10.0 114.247 -171.38 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -59.16 134.1 56.69 Favored 'General case' 0 CA--C 1.545 0.77 0 CA-C-N 119.698 1.749 . . . . 10.0 113.137 -170.786 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 10' ' ' PHE . . . . . . . . . . . . . 19.9 m-30 -60.17 149.09 33.93 Favored 'General case' 0 CA--C 1.541 0.607 0 O-C-N 121.409 -0.807 . . . . 10.0 112.89 174.835 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 66.5 mt -117.81 96.23 4.31 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.464 0 C-N-CA 125.973 1.709 . . . . 10.0 106.568 169.506 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 58.8 mtmt -94.58 79.86 3.82 Favored 'General case' 0 N--CA 1.474 0.744 0 C-N-CA 125.356 1.462 . . . . 10.0 110.896 -173.239 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 26.1 mt-30 -72.95 -29.92 63.46 Favored 'General case' 0 N--CA 1.472 0.653 0 C-N-CA 124.038 0.935 . . . . 10.0 111.247 169.861 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . 75.68 22.2 75.42 Favored Glycine 0 CA--C 1.535 1.301 0 C-N-CA 124.913 1.244 . . . . 10.0 113.694 -179.86 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 24.9 ttp180 -71.08 136.06 48.05 Favored 'General case' 0 N--CA 1.471 0.614 0 C-N-CA 126.571 1.949 . . . . 10.0 110.819 175.699 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 77.1 tttt -77.36 98.83 5.36 Favored 'General case' 0 N--CA 1.473 0.721 0 C-N-CA 124.896 1.279 . . . . 10.0 110.675 175.6 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 85.9 mt -74.24 176.91 6.21 Favored 'General case' 0 CA--C 1.546 0.8 0 C-N-CA 125.938 1.695 . . . . 10.0 112.529 179.047 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 18.9 t0 -127.17 95.01 4.16 Favored 'General case' 0 CA--C 1.541 0.63 0 C-N-CA 125.922 1.689 . . . . 10.0 110.507 175.729 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . 71.5 mt -135.13 130.2 51.3 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.742 0 C-N-CA 127.341 2.257 . . . . 10.0 108.061 -176.993 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 23.4 t0 -87.21 84.3 7.27 Favored 'General case' 0 CA--C 1.539 0.537 0 CA-C-O 121.962 0.887 . . . . 10.0 110.678 171.775 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 21' ' ' PHE . . . . . . . . . . . . . 87.1 m-85 -62.14 -42.45 99.26 Favored 'General case' 0 CA--C 1.54 0.596 0 C-N-CA 126.573 1.949 . . . . 10.0 111.74 171.696 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 127.87 163.2 11.31 Favored Glycine 0 CA--C 1.533 1.206 0 C-N-CA 127.635 2.54 . . . . 10.0 110.384 -169.604 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -43.29 -54.52 4.56 Favored 'General case' 0 CA--C 1.547 0.861 0 N-CA-C 115.434 1.642 . . . . 10.0 115.434 -169.853 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 52.1 mt-10 -61.16 -52.65 63.97 Favored 'General case' 0 N--CA 1.473 0.7 0 C-N-CA 124.786 1.234 . . . . 10.0 111.787 177.91 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -67.5 -37.69 90.1 Favored Glycine 0 CA--C 1.53 0.994 0 C-N-CA 124.836 1.207 . . . . 10.0 114.183 -175.984 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 88.0 m-20 -57.22 -52.74 64.1 Favored 'General case' 0 CA--C 1.535 0.372 0 C-N-CA 125.712 1.605 . . . . 10.0 110.072 173.844 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 94.9 mtt-85 -59.27 -46.79 87.57 Favored 'General case' 0 N--CA 1.474 0.76 0 C-N-CA 124.662 1.185 . . . . 10.0 111.888 176.423 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 28' ' ' TYR . . . . . . . . . . . . . 73.9 t80 -59.35 -55.62 32.44 Favored 'General case' 0 CA--C 1.535 0.391 0 C-N-CA 124.295 1.038 . . . . 10.0 112.182 177.985 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 29' ' ' TYR . . . . . . . . . . . . . 78.3 t80 -56.79 -50.85 71.09 Favored 'General case' 0 CA--C 1.535 0.394 0 C-N-CA 124.641 1.176 . . . . 10.0 112.285 178.198 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -50.51 -31.26 14.94 Favored 'General case' 0 CA--C 1.547 0.846 0 N-CA-C 114.072 1.138 . . . . 10.0 114.072 177.1 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -92.91 -23.55 18.73 Favored 'General case' 0 CA--C 1.553 1.059 0 C-N-CA 126.007 1.723 . . . . 10.0 115.04 176.815 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 32' ' ' ASN . . . . . . . . . . . . . 59.8 m-80 -126.65 7.89 6.91 Favored 'General case' 0 N--CA 1.477 0.909 0 N-CA-C 116.155 1.909 . . . . 10.0 116.155 -169.288 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 33' ' ' TYR . . . . . . . . . . . . . 55.2 p90 -46.18 -34.6 4.43 Favored 'General case' 0 N--CA 1.477 0.885 0 C-N-CA 127.236 2.214 . . . . 10.0 115.276 -177.32 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 34' ' ' TRP . . . . . . . . . . . . . 64.7 p-90 -50.65 -35.09 28.95 Favored 'General case' 0 CA--C 1.545 0.781 0 C-N-CA 126.349 1.86 . . . . 10.0 114.427 176.297 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 32.0 mt-30 -69.33 -40.13 77.77 Favored 'General case' 0 N--CA 1.474 0.76 0 C-N-CA 124.604 1.162 . . . . 10.0 113.665 178.222 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 36' ' ' PHE . . . . . . . . . . . . . 82.4 m-85 -69.21 155.4 93.62 Favored Pre-proline 0 CA--C 1.546 0.805 0 C-N-CA 126.592 1.957 . . . . 10.0 115.399 -169.053 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 70.8 Cg_endo -73.41 142.94 34.04 Favored 'Trans proline' 0 CA--C 1.539 0.772 0 C-N-CA 123.492 2.795 . . . . 10.0 110.855 169.574 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 6.3 t70 -94.6 -36.76 11.66 Favored 'General case' 0 CA--C 1.54 0.591 0 C-N-CA 125.394 1.478 . . . . 10.0 111.386 172.876 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . -134.8 176.76 19.76 Favored Glycine 0 CA--C 1.532 1.149 0 C-N-CA 125.78 1.657 . . . . 10.0 112.11 171.579 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 40' ' ' ILE . . . . . . . . . . . . . 97.1 mt -135.05 124.49 42.96 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.549 0 C-N-CA 125.248 1.419 . . . . 10.0 108.463 176.245 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 41' ' ' TYR . . . . . . . . . . . . . 64.9 t80 -72.25 88.41 1.15 Allowed 'General case' 0 CA--C 1.536 0.424 0 C-N-CA 125.079 1.352 . . . . 10.0 109.767 171.792 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 42' ' ' TYR . . . . . . . . . . . . . 88.5 t80 -149.12 131.04 15.21 Favored 'General case' 0 C--O 1.235 0.304 0 C-N-CA 125.017 1.327 . . . . 10.0 109.969 175.686 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 47.4 mt-10 -128.75 70.42 1.39 Allowed 'General case' 0 CA--C 1.539 0.533 0 C-N-CA 125.806 1.642 . . . . 10.0 109.776 -173.28 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . -63.16 -31.48 80.87 Favored Glycine 0 CA--C 1.536 1.378 0 C-N-CA 125.089 1.328 . . . . 10.0 114.499 -177.673 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 45' ' ' CYS . . . . . . . . . . . . . 83.1 m -55.54 109.23 0.52 Allowed 'General case' 0 CA--C 1.543 0.703 0 C-N-CA 126.133 1.773 . . . . 10.0 112.491 -178.967 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 51.0 m -125.81 -56.25 1.48 Allowed 'General case' 0 N--CA 1.474 0.747 0 C-N-CA 125.708 1.603 . . . . 10.0 111.96 -176.456 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 12.2 pt-20 -149.38 158.14 43.91 Favored 'General case' 0 N--CA 1.471 0.602 0 C-N-CA 125.923 1.689 . . . . 10.0 111.593 179.694 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -52.81 -27.87 20.05 Favored 'General case' 0 CA--C 1.545 0.785 0 N-CA-C 115.28 1.585 . . . . 10.0 115.28 -176.376 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 82.6 m-20 -65.15 -27.55 68.8 Favored 'General case' 0 CA--C 1.546 0.824 0 C-N-CA 124.761 1.225 . . . . 10.0 113.889 175.421 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . 60.7 t -65.82 115.48 3.98 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.913 0 C-N-CA 124.674 1.19 . . . . 10.0 109.262 172.168 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 53.8 p -88.12 173.05 9.06 Favored 'General case' 0 N--CA 1.477 0.886 0 C-N-CA 123.718 0.807 . . . . 10.0 112.02 178.929 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 82.2 tttt -62.41 -52.1 64.9 Favored 'General case' 0 N--CA 1.471 0.616 0 O-C-N 121.322 -0.861 . . . . 10.0 111.931 171.05 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 12.5 pt-20 -54.32 -40.01 67.56 Favored 'General case' 0 N--CA 1.473 0.701 0 N-CA-C 112.846 0.684 . . . . 10.0 112.846 176.178 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 54' ' ' MET . . . . . . . . . . . . . 92.8 mtp -58.19 -58.42 8.55 Favored 'General case' 0 N--CA 1.47 0.564 0 C-N-CA 123.575 0.75 . . . . 10.0 111.472 169.529 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 8.9 tt -59.39 -53.03 62.84 Favored 'General case' 0 CA--C 1.536 0.408 0 C-N-CA 124.461 1.105 . . . . 10.0 113.035 -174.382 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 88.0 t -57.0 -47.09 84.07 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.868 0 C-N-CA 125.375 1.47 . . . . 10.0 111.106 -178.58 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 57' ' ' THR . . . . . . . . . . . . . 45.0 m -62.81 -47.45 83.41 Favored 'General case' 0 N--CA 1.477 0.92 0 C-N-CA 124.287 1.035 . . . . 10.0 111.683 174.9 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 48.9 m -59.39 -37.55 78.26 Favored 'General case' 0 N--CA 1.471 0.611 0 C-N-CA 124.228 1.011 . . . . 10.0 112.578 176.784 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 59' ' ' CYS . . . . . . . . . . . . . 36.2 t -57.71 -50.2 74.0 Favored 'General case' 0 CA--C 1.536 0.407 0 C-N-CA 125.494 1.518 . . . . 10.0 112.663 172.689 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 60' ' ' VAL . . . . . . . . . . . . . 54.6 t -54.94 -49.82 67.56 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.071 0 CA-C-N 119.444 1.02 . . . . 10.0 111.355 172.663 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 61' ' ' ASN . . . . . . . . . . . . . 21.1 m-80 -58.1 -45.54 87.07 Favored 'General case' 0 CA--C 1.546 0.796 0 C-N-CA 124.514 1.126 . . . . 10.0 112.995 176.616 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -61.1 -48.43 81.71 Favored 'General case' 0 CA--C 1.538 0.502 0 C-N-CA 124.442 1.097 . . . . 10.0 111.241 174.881 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 63' ' ' THR . . . . . . . . . . . . . 29.7 m -54.23 -49.46 69.41 Favored 'General case' 0 N--CA 1.471 0.621 0 C-N-CA 125.416 1.486 . . . . 10.0 111.634 177.37 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 64' ' ' GLN . . . . . . . . . . . . . 81.2 mt-30 -50.69 -58.38 6.01 Favored 'General case' 0 CA--C 1.539 0.545 0 C-N-CA 125.056 1.342 . . . . 10.0 111.946 172.154 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -57.47 -39.76 77.07 Favored 'General case' 0 CA--C 1.546 0.805 0 C-N-CA 125.635 1.574 . . . . 10.0 114.126 179.973 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -74.28 -41.6 60.96 Favored 'General case' 0 CA--C 1.543 0.684 0 C-N-CA 125.039 1.336 . . . . 10.0 114.169 -179.333 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 67' ' ' ASN . . . . . . . . . . . . . 11.2 m-80 -114.19 38.31 3.07 Favored 'General case' 0 N--CA 1.474 0.765 0 C-N-CA 124.4 1.08 . . . . 10.0 112.272 -169.817 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 68' ' ' GLN . . . . . . . . . . . . . 91.2 mt-30 -50.99 -52.39 43.16 Favored 'General case' 0 N--CA 1.472 0.656 0 C-N-CA 125.561 1.544 . . . . 10.0 112.521 -177.747 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -54.65 -46.32 73.97 Favored 'General case' 0 CA--C 1.543 0.697 0 C-N-CA 124.964 1.306 . . . . 10.0 113.271 179.417 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 6.0 mm-40 -55.53 -52.56 63.28 Favored 'General case' 0 N--CA 1.473 0.693 0 C-N-CA 124.825 1.25 . . . . 10.0 111.3 177.41 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 71' ' ' PHE . . . . . . . . . . . . . 33.7 m-85 -61.05 -55.79 28.59 Favored 'General case' 0 CA--C 1.535 0.368 0 C-N-CA 123.924 0.89 . . . . 10.0 112.287 176.079 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 60.7 m -53.72 -49.04 68.97 Favored 'General case' 0 N--CA 1.473 0.707 0 C-N-CA 125.038 1.335 . . . . 10.0 113.599 -178.168 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 73' ' ' ARG . . . . . . . . . . . . . 22.9 mtm105 -55.77 -51.66 66.63 Favored 'General case' 0 N--CA 1.476 0.873 0 C-N-CA 124.197 0.999 . . . . 10.0 112.546 176.787 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 43.9 mm-40 -67.62 -63.64 1.02 Allowed 'General case' 0 CA--C 1.541 0.602 0 C-N-CA 124.287 1.035 . . . . 10.0 113.177 179.161 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 64.8 tttm -44.69 -37.28 3.6 Favored 'General case' 0 N--CA 1.48 1.038 0 C-N-CA 128.384 2.674 . . . . 10.0 115.76 -169.819 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 76' ' ' GLN . . . . . . . . . . . . . 18.8 mm100 -54.57 -27.55 39.69 Favored 'General case' 0 CA--C 1.547 0.845 0 C-N-CA 125.135 1.374 . . . . 10.0 114.395 176.608 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 31.4 t70 -136.72 -39.91 0.63 Allowed 'General case' 0 CA--C 1.547 0.849 0 C-N-CA 125.43 1.492 . . . . 10.0 113.849 -177.445 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 1.6 t -76.37 75.48 3.14 Favored 'General case' 0 CA--C 1.544 0.718 0 C-N-CA 127.732 2.413 . . . . 10.0 113.057 -170.994 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 41.1 ttmt -56.59 -65.79 0.55 Allowed 'General case' 0 N--CA 1.477 0.908 0 C-N-CA 126.41 1.884 . . . . 10.0 113.457 -173.053 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 43.5 tp -62.37 -40.41 96.36 Favored 'General case' 0 N--CA 1.47 0.554 0 C-N-CA 123.989 0.916 . . . . 10.0 112.493 -176.823 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 81' ' ' HIS . . . . . . . . . . . . . 14.2 t-160 -51.0 -49.28 60.74 Favored 'General case' 0 N--CA 1.471 0.6 0 C-N-CA 123.558 0.743 . . . . 10.0 112.395 -177.947 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 82' ' ' GLN . . . . . . . . . . . . . 92.8 mm-40 -50.43 -53.92 25.86 Favored 'General case' 0 N--CA 1.472 0.646 0 C-N-CA 124.169 0.988 . . . . 10.0 112.713 177.597 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 83' ' ' ARG . . . . . . . . . . . . . 74.7 mtp180 -49.48 -55.3 13.74 Favored 'General case' 0 N--CA 1.482 1.127 0 C-N-CA 125.021 1.329 . . . . 10.0 111.947 178.395 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 84' ' ' VAL . . . . . . . . . . . . . 17.0 t -62.04 -51.77 68.49 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.8 0 C-N-CA 126.022 1.729 . . . . 10.0 111.167 179.381 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 85' ' ' LEU . . . . . . . . . . . . . 49.0 tp -56.27 -50.56 71.02 Favored 'General case' 0 N--CA 1.467 0.423 0 C-N-CA 126.079 1.752 . . . . 10.0 112.649 179.86 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 86' ' ' TRP . . . . . . . . . . . . . 72.5 m95 -60.82 -42.2 97.2 Favored 'General case' 0 N--CA 1.469 0.487 0 N-CA-C 113.489 0.922 . . . . 10.0 113.489 176.078 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 87' ' ' ARG . . . . . . . . . . . . . 14.2 tpt180 -56.42 -49.15 75.37 Favored 'General case' 0 N--CA 1.473 0.723 0 CA-C-N 118.712 0.687 . . . . 10.0 111.569 169.953 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 88' ' ' LEU . . . . . . . . . . . . . 1.4 tt -57.45 -50.93 71.43 Favored 'General case' 0 CA--C 1.546 0.801 0 C-N-CA 124.165 0.986 . . . . 10.0 111.99 176.405 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 89' ' ' ILE . . . . . . . . . . . . . 83.6 mt -50.4 -49.05 24.95 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.796 0 C-N-CA 124.539 1.136 . . . . 10.0 110.843 172.45 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 56.2 tttp -59.21 -46.96 87.05 Favored 'General case' 0 N--CA 1.472 0.642 0 C-N-CA 124.332 1.053 . . . . 10.0 113.118 175.345 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 79.7 mm-40 -53.47 -45.95 69.75 Favored 'General case' 0 N--CA 1.476 0.868 0 CA-C-N 119.865 1.211 . . . . 10.0 112.278 172.313 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 92' ' ' ILE . . . . . . . . . . . . . 96.3 mt -61.29 -57.3 12.75 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.838 0 C-N-CA 123.954 0.901 . . . . 10.0 111.137 173.375 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 93' ' ' CYS . . . . . . . . . . . . . 75.7 m -57.25 -48.92 77.63 Favored 'General case' 0 CA--C 1.542 0.651 0 C-N-CA 124.127 0.971 . . . . 10.0 112.647 -177.257 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 80.4 p -60.53 -26.69 67.07 Favored 'General case' 0 N--CA 1.477 0.914 0 N-CA-C 114.719 1.377 . . . . 10.0 114.719 178.175 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . -69.46 -28.34 66.01 Favored 'General case' 0 CA--C 1.548 0.874 0 N-CA-C 113.776 1.028 . . . . 10.0 113.776 172.918 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 96' ' ' LYS . . . . . . . . . . . . . 36.7 mttm -62.84 119.06 8.64 Favored 'General case' 0 N--CA 1.477 0.88 0 C-N-CA 124.964 1.306 . . . . 10.0 112.245 -175.509 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 97' ' ' HIS . . . . . 0.41 ' HA ' ' CZ3' ' A' ' 101' ' ' TRP . 0.2 OUTLIER -130.73 140.74 50.35 Favored 'General case' 0 CA--C 1.537 0.452 0 C-N-CA 126.128 1.771 . . . . 10.0 114.032 -176.718 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 98' ' ' CYS . . . . . . . . . . . . . 40.8 m -97.5 134.66 40.43 Favored 'General case' 0 CA--C 1.537 0.455 0 C-N-CA 123.974 0.909 . . . . 10.0 112.115 179.559 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 99' ' ' ASP . . . . . . . . . . . . . 32.1 t70 -58.2 -38.87 77.58 Favored 'General case' 0 CA--C 1.543 0.679 0 C-N-CA 124.821 1.248 . . . . 10.0 112.946 177.209 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 100' ' ' PHE . . . . . . . . . . . . . 4.2 p90 -69.11 -14.22 62.88 Favored 'General case' 0 CA--C 1.545 0.767 0 N-CA-C 115.562 1.689 . . . . 10.0 115.562 -178.102 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 101' ' ' TRP . . . . . 0.41 ' CZ3' ' HA ' ' A' ' 97' ' ' HIS . 29.1 m0 . . . . . 0 N--CA 1.473 0.717 0 CA-C-N 120.007 1.276 . . . . 10.0 113.834 -175.23 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 5' ' ' ASN . . . . . . . . . . . . . 12.5 t-20 . . . . . 0 CA--C 1.546 0.799 0 CA-C-O 122.418 1.104 . . . . 10.0 109.905 . . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 28.9 ptt-85 -72.58 148.26 90.14 Favored Pre-proline 0 N--CA 1.473 0.699 0 C-N-CA 126.559 1.944 . . . . 10.0 112.52 179.143 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 7' ' ' PRO . . . . . . . . . . . . . 50.2 Cg_exo -51.44 117.52 3.54 Favored 'Trans proline' 0 CA--C 1.54 0.819 0 C-N-CA 123.551 2.834 . . . . 10.0 112.285 173.885 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . 109.8 -13.83 32.11 Favored Glycine 0 CA--C 1.537 1.427 0 C-N-CA 126.305 1.907 . . . . 10.0 114.357 -172.659 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -60.13 132.04 52.71 Favored 'General case' 0 CA--C 1.546 0.796 0 CA-C-N 119.681 1.741 . . . . 10.0 112.899 -174.428 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 10' ' ' PHE . . . . . . . . . . . . . 21.6 m-85 -61.31 148.77 40.15 Favored 'General case' 0 CA--C 1.54 0.581 0 C-N-CA 123.441 0.696 . . . . 10.0 112.308 172.052 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 66.6 mt -119.78 96.52 4.38 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.421 0 C-N-CA 125.876 1.671 . . . . 10.0 106.537 169.636 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 84.3 mttt -91.28 90.34 7.7 Favored 'General case' 0 N--CA 1.474 0.766 0 C-N-CA 125.244 1.418 . . . . 10.0 110.34 -176.881 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 26.4 mt-30 -80.33 -23.26 40.72 Favored 'General case' 0 CA--C 1.542 0.635 0 C-N-CA 123.953 0.901 . . . . 10.0 112.139 173.989 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . 75.5 58.49 3.85 Favored Glycine 0 CA--C 1.531 1.087 0 C-N-CA 124.826 1.203 . . . . 10.0 112.133 178.147 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 32.6 ttp180 -132.42 131.7 42.04 Favored 'General case' 0 N--CA 1.47 0.555 0 C-N-CA 126.735 2.014 . . . . 10.0 110.797 -171.184 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 34.6 ttmt -77.48 101.59 6.51 Favored 'General case' 0 N--CA 1.473 0.721 0 C-N-CA 124.478 1.111 . . . . 10.0 110.542 177.732 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 73.5 mt -72.29 177.45 4.51 Favored 'General case' 0 CA--C 1.547 0.831 0 C-N-CA 126.006 1.722 . . . . 10.0 112.44 175.242 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 19.7 t0 -123.7 93.72 4.02 Favored 'General case' 0 CA--C 1.543 0.682 0 C-N-CA 125.686 1.594 . . . . 10.0 110.773 176.483 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . 67.4 mt -136.14 135.39 50.08 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.737 0 C-N-CA 127.623 2.369 . . . . 10.0 108.608 -178.678 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 26.1 t70 -87.16 103.89 15.84 Favored 'General case' 0 CA--C 1.538 0.49 0 CA-C-O 121.867 0.841 . . . . 10.0 109.739 169.548 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 21' ' ' PHE . . . . . . . . . . . . . 71.8 m-85 -83.79 -37.11 23.0 Favored 'General case' 0 CA--C 1.54 0.595 0 C-N-CA 127.243 2.217 . . . . 10.0 111.495 171.137 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 127.54 158.02 9.62 Favored Glycine 0 CA--C 1.534 1.237 0 C-N-CA 127.777 2.608 . . . . 10.0 110.209 -169.645 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -42.24 -56.69 2.82 Favored 'General case' 0 CA--C 1.548 0.877 0 N-CA-C 115.49 1.663 . . . . 10.0 115.49 -169.713 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 31.2 mm-40 -63.22 -48.25 79.09 Favored 'General case' 0 N--CA 1.474 0.725 0 C-N-CA 124.208 1.003 . . . . 10.0 112.038 178.466 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -63.51 -39.41 97.63 Favored Glycine 0 CA--C 1.533 1.182 0 C-N-CA 124.972 1.272 . . . . 10.0 114.161 179.772 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 89.9 m-20 -57.68 -51.99 67.28 Favored 'General case' 0 CA--C 1.536 0.408 0 C-N-CA 126.161 1.784 . . . . 10.0 110.145 174.702 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 97.5 mtt180 -59.13 -46.28 88.75 Favored 'General case' 0 N--CA 1.474 0.772 0 C-N-CA 124.588 1.155 . . . . 10.0 111.913 174.896 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 28' ' ' TYR . . . . . . . . . . . . . 83.5 t80 -59.54 -53.4 58.48 Favored 'General case' 0 CA--C 1.536 0.406 0 C-N-CA 124.269 1.027 . . . . 10.0 111.949 179.232 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 29' ' ' TYR . . . . . . . . . . . . . 83.5 t80 -56.65 -52.39 65.06 Favored 'General case' 0 CA--C 1.536 0.416 0 C-N-CA 124.6 1.16 . . . . 10.0 112.404 175.645 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -51.06 -35.87 36.92 Favored 'General case' 0 CA--C 1.546 0.796 0 N-CA-C 113.603 0.964 . . . . 10.0 113.603 178.751 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -85.73 -28.42 24.63 Favored 'General case' 0 CA--C 1.55 0.981 0 N-CA-C 115.099 1.518 . . . . 10.0 115.099 176.098 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 32' ' ' ASN . . . . . . . . . . . . . 55.3 m-80 -124.25 11.76 8.79 Favored 'General case' 0 CA--C 1.548 0.881 0 N-CA-C 116.654 2.094 . . . . 10.0 116.654 -169.091 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 33' ' ' TYR . . . . . . . . . . . . . 52.1 p90 -50.15 -28.02 6.72 Favored 'General case' 0 N--CA 1.478 0.971 0 C-N-CA 126.007 1.723 . . . . 10.0 115.207 -177.751 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 34' ' ' TRP . . . . . . . . . . . . . 65.6 p-90 -51.32 -34.67 34.55 Favored 'General case' 0 CA--C 1.546 0.805 0 C-N-CA 125.83 1.652 . . . . 10.0 114.187 173.634 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 32.1 mt-30 -67.4 -41.71 84.48 Favored 'General case' 0 N--CA 1.474 0.734 0 C-N-CA 124.716 1.206 . . . . 10.0 113.197 176.45 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 36' ' ' PHE . . . . . . . . . . . . . 68.6 m-85 -74.24 159.06 84.66 Favored Pre-proline 0 CA--C 1.546 0.799 0 C-N-CA 127.542 2.337 . . . . 10.0 113.629 -169.69 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 62.2 Cg_endo -71.89 163.89 37.41 Favored 'Trans proline' 0 CA--C 1.541 0.859 0 C-N-CA 123.062 2.508 . . . . 10.0 110.841 169.246 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 7.3 t70 -113.47 -37.69 4.57 Favored 'General case' 0 N--CA 1.473 0.698 0 C-N-CA 125.094 1.358 . . . . 10.0 110.396 169.911 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . -129.14 173.11 19.56 Favored Glycine 0 CA--C 1.535 1.286 0 C-N-CA 126.228 1.871 . . . . 10.0 111.384 169.445 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 40' ' ' ILE . . . . . . . . . . . . . 97.0 mt -136.56 125.63 37.24 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.692 0 C-N-CA 125.193 1.397 . . . . 10.0 108.463 175.382 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 41' ' ' TYR . . . . . . . . . . . . . 90.3 t80 -73.51 116.91 14.63 Favored 'General case' 0 CA--C 1.536 0.41 0 C-N-CA 123.388 0.675 . . . . 10.0 109.486 169.782 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 42' ' ' TYR . . . . . . . . . . . . . 48.8 t80 -154.54 109.21 3.03 Favored 'General case' 0 CA--C 1.533 0.305 0 CA-C-O 122.169 0.985 . . . . 10.0 110.732 173.27 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 4.8 pt-20 -81.12 59.98 4.09 Favored 'General case' 0 CA--C 1.548 0.884 0 C-N-CA 126.981 2.112 . . . . 10.0 111.874 178.271 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . -71.35 -42.98 55.71 Favored Glycine 0 CA--C 1.534 1.269 0 C-N-CA 125.298 1.428 . . . . 10.0 113.931 -179.787 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 45' ' ' CYS . . . . . . . . . . . . . 78.0 m -62.47 128.21 34.94 Favored 'General case' 0 CA--C 1.544 0.728 0 C-N-CA 125.442 1.497 . . . . 10.0 112.94 -179.287 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 63.9 p -139.31 -58.4 0.59 Allowed 'General case' 0 N--CA 1.473 0.695 0 C-N-CA 125.88 1.672 . . . . 10.0 112.01 173.689 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 12.0 pt-20 -146.56 160.72 41.78 Favored 'General case' 0 CA--C 1.542 0.666 0 C-N-CA 126.33 1.852 . . . . 10.0 112.604 178.976 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -54.58 -23.5 17.13 Favored 'General case' 0 CA--C 1.545 0.786 0 N-CA-C 115.932 1.827 . . . . 10.0 115.932 -174.694 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 72.5 m-20 -61.42 -29.04 69.69 Favored 'General case' 0 CA--C 1.548 0.869 0 C-N-CA 124.164 0.985 . . . . 10.0 113.42 172.204 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . 94.3 t -67.03 113.1 2.77 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.911 0 C-N-CA 124.667 1.187 . . . . 10.0 109.61 169.976 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 41.4 p -84.92 169.66 13.85 Favored 'General case' 0 N--CA 1.475 0.793 0 C-N-CA 123.504 0.721 . . . . 10.0 111.618 176.801 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 78.1 tttt -62.04 -43.52 98.66 Favored 'General case' 0 N--CA 1.472 0.642 0 O-C-N 121.221 -0.924 . . . . 10.0 111.981 170.046 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 27.6 mm-40 -54.25 -48.43 71.16 Favored 'General case' 0 N--CA 1.472 0.669 0 C-N-CA 123.903 0.881 . . . . 10.0 111.838 174.426 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 54' ' ' MET . . . . . . . . . . . . . 93.4 mtp -54.69 -57.14 12.65 Favored 'General case' 0 N--CA 1.47 0.534 0 C-N-CA 124.361 1.065 . . . . 10.0 111.799 171.251 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 3.4 tt -55.73 -59.82 4.32 Favored 'General case' 0 CA--C 1.54 0.56 0 C-N-CA 124.995 1.318 . . . . 10.0 112.129 -177.549 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 60.2 t -57.43 -46.5 85.69 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.811 0 C-N-CA 124.69 1.196 . . . . 10.0 111.666 -176.263 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 57' ' ' THR . . . . . . . . . . . . . 37.1 m -63.5 -51.57 64.96 Favored 'General case' 0 N--CA 1.477 0.881 0 C-N-CA 123.816 0.847 . . . . 10.0 111.901 177.109 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 93.2 p -62.01 -33.25 74.0 Favored 'General case' 0 N--CA 1.471 0.615 0 O-C-N 121.388 -0.82 . . . . 10.0 113.028 177.659 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 59' ' ' CYS . . . . . . . . . . . . . 44.4 t -58.22 -51.05 71.37 Favored 'General case' 0 CA--C 1.539 0.522 0 C-N-CA 125.982 1.713 . . . . 10.0 112.557 169.971 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 60' ' ' VAL . . . . . . . . . . . . . 48.2 t -56.3 -43.69 77.61 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.055 0 C-N-CA 124.086 0.954 . . . . 10.0 111.893 173.446 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 61' ' ' ASN . . . . . . . . . . . . . 21.8 m-80 -64.24 -45.26 88.93 Favored 'General case' 0 CA--C 1.544 0.728 0 C-N-CA 124.245 1.018 . . . . 10.0 113.046 174.827 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -60.58 -45.99 91.91 Favored 'General case' 0 CA--C 1.536 0.408 0 C-N-CA 124.53 1.132 . . . . 10.0 111.267 175.8 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 63' ' ' THR . . . . . . . . . . . . . 30.1 m -55.29 -48.74 73.64 Favored 'General case' 0 N--CA 1.471 0.59 0 C-N-CA 124.909 1.283 . . . . 10.0 111.469 177.334 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 64' ' ' GLN . . . . . . . . . . . . . 45.6 mt-30 -50.65 -61.7 2.04 Favored 'General case' 0 N--CA 1.47 0.559 0 C-N-CA 124.283 1.033 . . . . 10.0 111.7 171.453 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -53.87 -44.65 70.6 Favored 'General case' 0 CA--C 1.545 0.781 0 C-N-CA 125.704 1.602 . . . . 10.0 113.741 -178.667 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -67.63 -34.5 77.08 Favored 'General case' 0 CA--C 1.541 0.608 0 C-N-CA 125.082 1.353 . . . . 10.0 114.383 179.615 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 67' ' ' ASN . . . . . . . . . . . . . 10.5 m-80 -124.91 39.61 3.94 Favored 'General case' 0 CA--C 1.545 0.784 0 C-N-CA 124.026 0.93 . . . . 10.0 112.562 -170.042 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 68' ' ' GLN . . . . . . . . . . . . . 22.0 mm-40 -54.66 -47.46 73.55 Favored 'General case' 0 N--CA 1.475 0.791 0 C-N-CA 124.627 1.171 . . . . 10.0 112.972 -176.416 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -53.83 -48.71 69.66 Favored 'General case' 0 CA--C 1.544 0.732 0 C-N-CA 125.025 1.33 . . . . 10.0 113.015 179.104 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 7.9 mm-40 -54.01 -56.14 20.7 Favored 'General case' 0 N--CA 1.473 0.706 0 C-N-CA 125.215 1.406 . . . . 10.0 111.408 177.766 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 71' ' ' PHE . . . . . . . . . . . . . 37.4 m-85 -59.91 -53.31 59.43 Favored 'General case' 0 CA--C 1.536 0.405 0 C-N-CA 124.019 0.928 . . . . 10.0 112.19 176.954 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 46.5 t -50.05 -56.74 9.6 Favored 'General case' 0 N--CA 1.47 0.551 0 C-N-CA 126.366 1.866 . . . . 10.0 112.837 -178.415 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 73' ' ' ARG . . . . . . . . . . . . . 90.2 mmt-85 -60.3 -50.01 75.32 Favored 'General case' 0 N--CA 1.475 0.801 0 C-N-CA 124.905 1.282 . . . . 10.0 112.621 -179.767 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 44.1 mm-40 -62.61 -58.57 7.06 Favored 'General case' 0 CA--C 1.539 0.549 0 C-N-CA 124.269 1.028 . . . . 10.0 112.856 -179.491 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 87.4 tttt -44.78 -34.18 2.19 Favored 'General case' 0 N--CA 1.481 1.116 0 C-N-CA 127.896 2.478 . . . . 10.0 115.674 -171.387 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 76' ' ' GLN . . . . . . . . . . . . . 66.6 mm-40 -52.87 -43.4 66.07 Favored 'General case' 0 N--CA 1.472 0.66 0 C-N-CA 124.751 1.22 . . . . 10.0 112.967 178.043 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 32.5 t70 -127.6 -38.37 1.91 Allowed 'General case' 0 N--CA 1.473 0.722 0 C-N-CA 125.902 1.681 . . . . 10.0 113.168 -172.164 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -75.73 61.09 1.35 Allowed 'General case' 0 CA--C 1.543 0.676 0 C-N-CA 127.929 2.492 . . . . 10.0 111.809 -178.314 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 2.1 tppt? -60.42 -52.56 64.69 Favored 'General case' 0 N--CA 1.472 0.674 0 C-N-CA 126.259 1.824 . . . . 10.0 113.384 -169.682 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 56.0 tp -60.51 -44.96 95.45 Favored 'General case' 0 N--CA 1.47 0.537 0 C-N-CA 124.866 1.266 . . . . 10.0 111.941 175.082 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 81' ' ' HIS . . . . . . . . . . . . . 16.6 t-160 -48.52 -49.22 36.99 Favored 'General case' 0 N--CA 1.472 0.637 0 C-N-CA 124.409 1.083 . . . . 10.0 111.993 -177.235 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 82' ' ' GLN . . . . . . . . . . . . . 98.3 mm-40 -50.62 -52.71 36.96 Favored 'General case' 0 N--CA 1.471 0.599 0 C-N-CA 123.856 0.862 . . . . 10.0 112.852 177.106 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 83' ' ' ARG . . . . . . . . . . . . . 9.2 mpt_? -55.48 -52.76 62.56 Favored 'General case' 0 N--CA 1.48 1.043 0 C-N-CA 124.383 1.073 . . . . 10.0 111.314 -178.96 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 84' ' ' VAL . . . . . . . . . . . . . 21.8 t -57.94 -54.28 34.11 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.729 0 C-N-CA 125.828 1.651 . . . . 10.0 110.94 176.99 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 85' ' ' LEU . . . . . . . . . . . . . 45.0 tp -56.68 -47.82 78.98 Favored 'General case' 0 CA--C 1.538 0.491 0 C-N-CA 126.254 1.822 . . . . 10.0 112.664 -179.736 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 86' ' ' TRP . . . . . . . . . . . . . 70.4 m95 -64.05 -42.48 97.02 Favored 'General case' 0 N--CA 1.469 0.475 0 N-CA-C 113.989 1.107 . . . . 10.0 113.989 176.316 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 87' ' ' ARG . . . . . . . . . . . . . 24.0 tpt180 -54.9 -50.37 68.93 Favored 'General case' 0 N--CA 1.477 0.921 0 C-N-CA 123.666 0.786 . . . . 10.0 111.144 170.705 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 88' ' ' LEU . . . . . . . . . . . . . 54.9 tp -56.23 -55.26 35.44 Favored 'General case' 0 CA--C 1.54 0.59 0 C-N-CA 124.318 1.047 . . . . 10.0 112.761 173.172 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 89' ' ' ILE . . . . . . . . . . . . . 68.9 mt -50.98 -48.91 28.82 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.808 0 C-N-CA 124.518 1.127 . . . . 10.0 111.015 177.422 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 58.3 tttp -60.2 -46.87 88.24 Favored 'General case' 0 N--CA 1.469 0.51 0 CA-C-O 118.191 -0.909 . . . . 10.0 112.782 176.295 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 31.6 mm-40 -56.59 -45.08 81.6 Favored 'General case' 0 CA--C 1.544 0.716 0 CA-C-N 119.795 1.179 . . . . 10.0 112.635 172.773 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 92' ' ' ILE . . . . . . . . . . . . . 96.1 mt -58.01 -55.56 21.17 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.776 0 C-N-CA 124.209 1.003 . . . . 10.0 110.93 172.736 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 93' ' ' CYS . . . . . . . . . . . . . 66.2 m -55.21 -44.78 75.7 Favored 'General case' 0 CA--C 1.544 0.712 0 C-N-CA 123.793 0.837 . . . . 10.0 111.957 177.914 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 49.7 m -58.73 -24.99 62.5 Favored 'General case' 0 N--CA 1.476 0.874 0 C-N-CA 125.541 1.536 . . . . 10.0 114.7 175.391 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . -73.06 -21.79 60.72 Favored 'General case' 0 CA--C 1.548 0.873 0 N-CA-C 114.206 1.187 . . . . 10.0 114.206 178.083 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 96' ' ' LYS . . . . . . . . . . . . . 3.6 mptp? -60.24 131.89 52.22 Favored 'General case' 0 N--CA 1.479 0.99 0 C-N-CA 125.087 1.355 . . . . 10.0 111.377 -179.198 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 97' ' ' HIS . . . . . 0.43 ' HA ' ' CZ3' ' A' ' 101' ' ' TRP . 13.2 t-80 -141.7 116.35 9.7 Favored 'General case' 0 N--CA 1.471 0.62 0 C-N-CA 125.67 1.588 . . . . 10.0 110.773 176.019 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 98' ' ' CYS . . . . . . . . . . . . . 57.4 m -70.16 149.69 47.29 Favored 'General case' 0 CA--C 1.538 0.498 0 C-N-CA 123.283 0.633 . . . . 10.0 111.86 176.761 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 99' ' ' ASP . . . . . . . . . . . . . 32.7 t70 -64.8 -42.8 94.73 Favored 'General case' 0 CA--C 1.542 0.656 0 C-N-CA 124.349 1.059 . . . . 10.0 112.427 176.988 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 100' ' ' PHE . . . . . . . . . . . . . 9.0 p90 -70.81 -16.83 62.76 Favored 'General case' 0 CA--C 1.544 0.712 0 N-CA-C 115.402 1.631 . . . . 10.0 115.402 -176.349 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 101' ' ' TRP . . . . . 0.43 ' CZ3' ' HA ' ' A' ' 97' ' ' HIS . 36.7 m0 . . . . . 0 N--CA 1.474 0.741 0 CA-C-N 119.918 1.235 . . . . 10.0 112.554 179.301 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 5' ' ' ASN . . . . . . . . . . . . . 32.3 m120 . . . . . 0 CA--C 1.546 0.823 0 CA-C-O 121.545 0.688 . . . . 10.0 111.523 . . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 7.9 ptm180 -83.17 156.82 66.42 Favored Pre-proline 0 N--CA 1.475 0.804 0 C-N-CA 125.122 1.369 . . . . 10.0 111.928 170.824 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 7' ' ' PRO . . . . . . . . . . . . . 71.2 Cg_exo -48.58 120.88 5.66 Favored 'Trans proline' 0 CA--C 1.54 0.816 0 C-N-CA 123.548 2.832 . . . . 10.0 112.406 171.32 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . 110.74 -15.08 29.29 Favored Glycine 0 CA--C 1.538 1.486 0 C-N-CA 126.579 2.038 . . . . 10.0 114.335 -172.798 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -61.86 131.89 51.27 Favored 'General case' 0 CA--C 1.545 0.751 0 CA-C-N 119.565 1.683 . . . . 10.0 112.38 -175.482 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 10' ' ' PHE . . . . . . . . . . . . . 23.7 m-85 -62.45 149.99 41.17 Favored 'General case' 0 CA--C 1.54 0.582 0 O-C-N 121.636 -0.665 . . . . 10.0 112.597 174.28 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 75.7 mt -118.75 96.86 4.71 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.465 0 N-CA-C 106.28 -1.748 . . . . 10.0 106.28 169.423 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 85.4 mttt -93.39 91.69 7.29 Favored 'General case' 0 N--CA 1.472 0.635 0 C-N-CA 125.024 1.329 . . . . 10.0 110.208 -176.357 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 22.0 mt-30 -77.4 -21.22 53.48 Favored 'General case' 0 CA--C 1.54 0.572 0 C-N-CA 124.253 1.021 . . . . 10.0 111.883 172.099 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . 65.4 54.55 25.9 Favored Glycine 0 CA--C 1.531 1.058 0 C-N-CA 124.719 1.152 . . . . 10.0 111.083 -176.595 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 4.7 tmm_? -133.01 129.73 38.51 Favored 'General case' 0 N--CA 1.47 0.539 0 C-N-CA 126.86 2.064 . . . . 10.0 110.18 -169.525 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 46.2 tttm -74.76 111.17 9.69 Favored 'General case' 0 N--CA 1.472 0.661 0 C-N-CA 124.081 0.953 . . . . 10.0 111.486 -178.461 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 85.4 mt -74.06 177.54 5.63 Favored 'General case' 0 CA--C 1.547 0.857 0 C-N-CA 126.272 1.829 . . . . 10.0 112.245 170.844 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 20.3 t0 -124.61 92.39 3.64 Favored 'General case' 0 CA--C 1.542 0.639 0 C-N-CA 125.638 1.575 . . . . 10.0 110.371 173.648 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . 73.1 mt -132.83 128.87 57.58 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.709 0 C-N-CA 127.5 2.32 . . . . 10.0 107.785 -179.034 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 24.0 t0 -86.83 85.27 7.26 Favored 'General case' 0 CA--C 1.539 0.552 0 CA-C-O 121.947 0.879 . . . . 10.0 110.652 172.593 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 21' ' ' PHE . . . . . . . . . . . . . 77.6 m-85 -62.53 -41.54 98.94 Favored 'General case' 0 CA--C 1.54 0.586 0 C-N-CA 126.59 1.956 . . . . 10.0 111.684 171.028 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 131.49 155.22 8.04 Favored Glycine 0 CA--C 1.532 1.116 0 C-N-CA 128.15 2.786 . . . . 10.0 109.666 -169.726 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -41.46 -57.71 2.12 Favored 'General case' 0 CA--C 1.548 0.869 0 N-CA-C 115.333 1.605 . . . . 10.0 115.333 -169.665 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 37.0 tt0 -63.52 -43.98 95.59 Favored 'General case' 0 CA--C 1.544 0.714 0 C-N-CA 124.405 1.082 . . . . 10.0 112.682 179.057 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -65.66 -41.64 95.84 Favored Glycine 0 CA--C 1.534 1.265 0 C-N-CA 124.916 1.246 . . . . 10.0 113.991 177.8 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 82.0 m-20 -55.99 -49.25 74.14 Favored 'General case' 0 CA--C 1.537 0.457 0 C-N-CA 126.245 1.818 . . . . 10.0 110.445 173.658 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 98.6 mtt180 -60.66 -46.66 89.47 Favored 'General case' 0 N--CA 1.475 0.792 0 C-N-CA 125.102 1.361 . . . . 10.0 111.347 176.431 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 28' ' ' TYR . . . . . . . . . . . . . 75.9 t80 -58.43 -53.09 62.28 Favored 'General case' 0 CA--C 1.534 0.362 0 C-N-CA 123.969 0.908 . . . . 10.0 111.985 177.403 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 29' ' ' TYR . . . . . . . . . . . . . 74.9 t80 -56.02 -54.11 48.9 Favored 'General case' 0 CA--C 1.535 0.402 0 C-N-CA 124.534 1.133 . . . . 10.0 112.394 176.45 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -50.27 -37.17 34.61 Favored 'General case' 0 CA--C 1.547 0.827 0 N-CA-C 113.81 1.041 . . . . 10.0 113.81 177.122 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -82.95 -21.24 34.11 Favored 'General case' 0 CA--C 1.552 1.034 0 N-CA-C 115.262 1.579 . . . . 10.0 115.262 176.491 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 32' ' ' ASN . . . . . . . . . . . . . 61.0 m-80 -131.32 7.61 4.59 Favored 'General case' 0 CA--C 1.547 0.865 0 N-CA-C 116.888 2.181 . . . . 10.0 116.888 -169.145 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 33' ' ' TYR . . . . . . . . . . . . . 39.9 p90 -51.86 -25.99 9.09 Favored 'General case' 0 N--CA 1.479 0.984 0 N-CA-C 115.533 1.679 . . . . 10.0 115.533 -174.668 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 34' ' ' TRP . . . . . . . . . . . . . 65.8 p-90 -52.42 -34.57 49.03 Favored 'General case' 0 CA--C 1.546 0.825 0 C-N-CA 125.669 1.587 . . . . 10.0 114.116 172.094 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 31.1 mt-30 -69.89 -37.82 76.13 Favored 'General case' 0 N--CA 1.475 0.781 0 C-N-CA 124.57 1.148 . . . . 10.0 113.343 176.51 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 36' ' ' PHE . . . . . . . . . . . . . 65.2 m-85 -75.81 157.66 83.58 Favored Pre-proline 0 CA--C 1.546 0.802 0 C-N-CA 126.98 2.112 . . . . 10.0 114.202 -169.579 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 61.6 Cg_endo -73.7 150.01 44.23 Favored 'Trans proline' 0 CA--C 1.54 0.786 0 C-N-CA 123.272 2.648 . . . . 10.0 110.701 169.355 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 26.9 t70 -104.54 -33.9 8.39 Favored 'General case' 0 N--CA 1.472 0.661 0 C-N-CA 124.854 1.262 . . . . 10.0 111.248 172.11 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . -132.51 172.85 21.07 Favored Glycine 0 CA--C 1.536 1.35 0 C-N-CA 126.835 2.159 . . . . 10.0 111.218 169.387 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 40' ' ' ILE . . . . . . . . . . . . . 89.1 mt -136.52 124.04 33.2 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.779 0 C-N-CA 124.701 1.2 . . . . 10.0 108.764 174.496 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 41' ' ' TYR . . . . . . . . . . . . . 60.7 t80 -72.18 98.89 2.23 Favored 'General case' 0 CA--C 1.536 0.428 0 C-N-CA 124.35 1.06 . . . . 10.0 110.112 171.718 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 42' ' ' TYR . . . . . . . . . . . . . 61.2 t80 -157.69 139.7 14.21 Favored 'General case' 0 CA--C 1.535 0.372 0 C-N-CA 123.975 0.91 . . . . 10.0 111.88 177.885 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 46.4 mt-10 -128.42 89.15 2.85 Favored 'General case' 0 CA--C 1.539 0.542 0 C-N-CA 126.947 2.099 . . . . 10.0 108.365 179.784 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . -92.74 38.39 3.18 Favored Glycine 0 N--CA 1.47 0.939 0 N-CA-C 117.202 1.641 . . . . 10.0 117.202 -168.998 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 45' ' ' CYS . . . . . . . . . . . . . 28.0 p -145.75 133.68 21.34 Favored 'General case' 0 CA--C 1.54 0.56 0 CA-C-N 118.161 0.98 . . . . 10.0 112.479 170.524 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 73.8 p -139.15 -4.66 1.49 Allowed 'General case' 0 N--CA 1.475 0.794 0 C-N-CA 126.171 1.788 . . . . 10.0 114.0 179.196 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 77.7 mm-40 -141.57 138.29 32.55 Favored 'General case' 0 N--CA 1.471 0.604 0 C-N-CA 126.526 1.931 . . . . 10.0 110.769 -175.426 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -54.71 -31.48 58.21 Favored 'General case' 0 CA--C 1.548 0.885 0 C-N-CA 124.672 1.189 . . . . 10.0 113.674 176.131 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 73.4 m-80 -68.31 -22.87 64.69 Favored 'General case' 0 CA--C 1.544 0.727 0 C-N-CA 126.014 1.726 . . . . 10.0 114.278 178.6 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . 2.5 p -59.86 149.19 7.02 Favored 'Isoleucine or valine' 0 N--CA 1.479 1.019 0 C-N-CA 124.274 1.03 . . . . 10.0 112.741 -174.364 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 36.5 p -117.62 169.76 9.31 Favored 'General case' 0 N--CA 1.479 0.982 0 C-N-CA 125.475 1.51 . . . . 10.0 112.057 -177.953 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 88.1 tttt -58.77 -49.63 76.93 Favored 'General case' 0 N--CA 1.472 0.659 0 C-N-CA 123.778 0.831 . . . . 10.0 111.522 169.89 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 45.1 mt-10 -51.46 -48.6 62.75 Favored 'General case' 0 N--CA 1.472 0.671 0 C-N-CA 124.058 0.943 . . . . 10.0 111.862 176.254 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 54' ' ' MET . . . . . . . . . . . . . 98.1 mtp -57.16 -56.27 23.95 Favored 'General case' 0 CA--C 1.536 0.416 0 C-N-CA 124.045 0.938 . . . . 10.0 112.223 171.263 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 10.0 tt -53.76 -53.4 52.76 Favored 'General case' 0 N--CA 1.471 0.62 0 C-N-CA 124.873 1.269 . . . . 10.0 112.764 -178.021 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 48.0 t -61.38 -48.12 90.31 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.883 0 C-N-CA 124.956 1.302 . . . . 10.0 111.443 -179.005 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 57' ' ' THR . . . . . . . . . . . . . 59.8 m -60.02 -48.05 83.32 Favored 'General case' 0 N--CA 1.478 0.968 0 C-N-CA 124.012 0.925 . . . . 10.0 111.755 175.67 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 41.3 m -60.88 -38.32 85.26 Favored 'General case' 0 N--CA 1.47 0.546 0 C-N-CA 124.617 1.167 . . . . 10.0 112.211 177.447 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 59' ' ' CYS . . . . . . . . . . . . . 44.8 t -58.38 -49.9 75.6 Favored 'General case' 0 CA--C 1.535 0.368 0 C-N-CA 124.907 1.283 . . . . 10.0 112.932 172.49 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 60' ' ' VAL . . . . . . . . . . . . . 55.3 t -54.55 -50.62 57.36 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.94 0 CA-C-N 118.886 0.766 . . . . 10.0 111.095 172.086 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 61' ' ' ASN . . . . . . . . . . . . . 16.6 m-80 -58.14 -45.1 87.96 Favored 'General case' 0 CA--C 1.545 0.765 0 C-N-CA 124.516 1.126 . . . . 10.0 113.377 176.786 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -62.49 -47.39 84.2 Favored 'General case' 0 CA--C 1.535 0.372 0 C-N-CA 124.249 1.02 . . . . 10.0 111.406 175.866 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 63' ' ' THR . . . . . . . . . . . . . 28.6 m -55.54 -49.9 71.41 Favored 'General case' 0 N--CA 1.472 0.634 0 C-N-CA 124.99 1.316 . . . . 10.0 111.261 175.752 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 64' ' ' GLN . . . . . . . . . . . . . 83.7 mt-30 -49.25 -60.16 3.05 Favored 'General case' 0 CA--C 1.536 0.42 0 C-N-CA 125.248 1.419 . . . . 10.0 111.779 171.737 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -57.78 -41.75 82.68 Favored 'General case' 0 CA--C 1.545 0.762 0 C-N-CA 125.581 1.552 . . . . 10.0 113.798 -178.919 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -66.25 -39.83 89.78 Favored 'General case' 0 CA--C 1.542 0.658 0 C-N-CA 125.026 1.331 . . . . 10.0 114.063 178.679 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 67' ' ' ASN . . . . . . . . . . . . . 11.5 m-80 -119.1 38.9 3.69 Favored 'General case' 0 CA--C 1.548 0.881 0 C-N-CA 124.249 1.019 . . . . 10.0 112.833 -169.804 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 68' ' ' GLN . . . . . . . . . . . . . 32.0 mm-40 -48.62 -55.16 12.0 Favored 'General case' 0 N--CA 1.476 0.835 0 C-N-CA 126.61 1.964 . . . . 10.0 113.702 -176.382 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -57.39 -44.43 84.49 Favored 'General case' 0 CA--C 1.542 0.661 0 C-N-CA 124.779 1.232 . . . . 10.0 113.353 -175.761 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 48.0 mt-10 -59.78 -50.73 72.68 Favored 'General case' 0 N--CA 1.472 0.633 0 C-N-CA 124.579 1.151 . . . . 10.0 111.967 177.474 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 71' ' ' PHE . . . . . . . . . . . . . 40.5 m-85 -61.27 -60.0 4.43 Favored 'General case' 0 CA--C 1.535 0.403 0 C-N-CA 123.134 0.574 . . . . 10.0 112.039 174.829 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 27.3 t -49.2 -51.86 30.32 Favored 'General case' 0 N--CA 1.471 0.594 0 C-N-CA 126.263 1.825 . . . . 10.0 113.608 -171.044 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 73' ' ' ARG . . . . . . . . . . . . . 88.6 mtm180 -58.41 -56.03 27.39 Favored 'General case' 0 N--CA 1.475 0.819 0 C-N-CA 125.275 1.43 . . . . 10.0 112.639 178.943 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 18.0 mt-10 -67.09 -46.43 74.25 Favored 'General case' 0 N--CA 1.47 0.556 0 N-CA-C 113.969 1.099 . . . . 10.0 113.969 -178.303 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 88.0 tttt -48.19 -29.25 3.55 Favored 'General case' 0 N--CA 1.48 1.04 0 C-N-CA 127.325 2.25 . . . . 10.0 115.116 -173.773 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 76' ' ' GLN . . . . . . . . . . . . . 72.9 mm-40 -54.46 -32.83 58.5 Favored 'General case' 0 CA--C 1.545 0.785 0 C-N-CA 125.218 1.407 . . . . 10.0 113.831 174.535 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 32.1 t70 -138.1 -37.21 0.58 Allowed 'General case' 0 CA--C 1.546 0.8 0 C-N-CA 125.463 1.505 . . . . 10.0 114.352 -171.563 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -76.9 54.41 1.01 Allowed 'General case' 0 CA--C 1.547 0.865 0 C-N-CA 127.31 2.244 . . . . 10.0 113.71 -169.892 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 24.6 ttmm -54.33 -51.64 64.07 Favored 'General case' 0 N--CA 1.478 0.948 0 C-N-CA 126.61 1.964 . . . . 10.0 113.321 -174.067 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 43.0 tp -56.63 -48.56 77.25 Favored 'General case' 0 CA--C 1.538 0.502 0 C-N-CA 124.518 1.127 . . . . 10.0 111.641 175.904 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 81' ' ' HIS . . . . . . . . . . . . . 14.1 t-160 -56.35 -53.81 52.91 Favored 'General case' 0 N--CA 1.469 0.524 0 CA-C-O 118.44 -0.79 . . . . 10.0 111.411 175.053 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 82' ' ' GLN . . . . . . . . . . . . . 93.1 mm-40 -48.87 -56.42 8.81 Favored 'General case' 0 N--CA 1.47 0.572 0 C-N-CA 124.573 1.149 . . . . 10.0 112.078 177.241 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 83' ' ' ARG . . . . . . . . . . . . . 80.2 ttt180 -49.56 -57.52 6.95 Favored 'General case' 0 N--CA 1.478 0.949 0 C-N-CA 124.731 1.212 . . . . 10.0 112.512 178.911 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 84' ' ' VAL . . . . . . . . . . . . . 58.5 t -60.46 -50.58 79.8 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.823 0 C-N-CA 125.608 1.563 . . . . 10.0 111.078 179.614 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 85' ' ' LEU . . . . . . . . . . . . . 52.0 tp -56.6 -50.23 72.6 Favored 'General case' 0 N--CA 1.469 0.505 0 C-N-CA 125.884 1.674 . . . . 10.0 112.71 178.895 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 86' ' ' TRP . . . . . . . . . . . . . 64.3 m95 -60.81 -41.98 96.73 Favored 'General case' 0 N--CA 1.468 0.425 0 N-CA-C 113.488 0.922 . . . . 10.0 113.488 176.311 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 87' ' ' ARG . . . . . . . . . . . . . 14.1 tpt180 -56.43 -50.37 71.87 Favored 'General case' 0 N--CA 1.474 0.743 0 CA-C-N 118.698 0.681 . . . . 10.0 111.417 170.039 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 88' ' ' LEU . . . . . . . . . . . . . 2.2 tt -55.3 -53.99 49.18 Favored 'General case' 0 CA--C 1.545 0.761 0 C-N-CA 124.66 1.184 . . . . 10.0 111.764 176.735 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 89' ' ' ILE . . . . . . . . . . . . . 83.9 mt -50.62 -51.35 19.72 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.709 0 C-N-CA 124.896 1.279 . . . . 10.0 110.857 173.849 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 65.9 tttp -58.24 -45.53 87.57 Favored 'General case' 0 N--CA 1.471 0.606 0 CA-C-O 117.95 -1.024 . . . . 10.0 113.296 176.803 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 64.9 mm-40 -53.51 -51.05 64.08 Favored 'General case' 0 N--CA 1.473 0.714 0 CA-C-N 120.027 1.285 . . . . 10.0 111.752 172.417 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 92' ' ' ILE . . . . . . . . . . . . . 97.7 mt -57.43 -53.86 38.49 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.968 0 C-N-CA 124.093 0.957 . . . . 10.0 111.407 174.817 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 93' ' ' CYS . . . . . . . . . . . . . 67.9 m -56.73 -43.45 80.65 Favored 'General case' 0 CA--C 1.542 0.638 0 C-N-CA 124.577 1.151 . . . . 10.0 112.614 179.653 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 50.4 m -61.74 -43.0 99.7 Favored 'General case' 0 N--CA 1.474 0.765 0 C-N-CA 125.448 1.499 . . . . 10.0 112.891 173.241 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . -62.98 -50.77 69.45 Favored 'General case' 0 CA--C 1.542 0.672 0 C-N-CA 125.249 1.42 . . . . 10.0 113.32 -178.768 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 96' ' ' LYS . . . . . . . . . . . . . 1.1 ptpm? -60.78 142.3 56.14 Favored 'General case' 0 N--CA 1.481 1.078 0 CA-C-N 118.891 0.768 . . . . 10.0 111.901 176.001 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 97' ' ' HIS . . . . . . . . . . . . . 2.0 m-70 -137.13 152.3 49.82 Favored 'General case' 0 N--CA 1.476 0.833 0 C-N-CA 127.176 2.191 . . . . 10.0 110.377 -175.59 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 98' ' ' CYS . . . . . . . . . . . . . 23.5 t -69.38 144.72 53.33 Favored 'General case' 0 CA--C 1.543 0.683 0 N-CA-C 112.383 0.512 . . . . 10.0 112.383 176.503 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 99' ' ' ASP . . . . . . . . . . . . . 31.7 t70 -65.22 -45.73 83.52 Favored 'General case' 0 CA--C 1.545 0.757 0 C-N-CA 124.944 1.298 . . . . 10.0 113.221 174.413 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 100' ' ' PHE . . . . . . . . . . . . . 9.8 p90 -95.52 7.93 44.79 Favored 'General case' 0 CA--C 1.545 0.775 0 N-CA-C 115.752 1.76 . . . . 10.0 115.752 -169.836 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 101' ' ' TRP . . . . . . . . . . . . . 7.8 m0 . . . . . 0 N--CA 1.476 0.852 0 CA-C-N 119.795 1.18 . . . . 10.0 113.129 176.81 . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' A' A ' 5' ' ' ASN . . . . . . . . . . . . . 30.7 m120 . . . . . 0 CA--C 1.549 0.922 0 CA-C-O 122.08 0.943 . . . . 10.0 112.02 . . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 6.5 ptm180 -136.29 160.13 68.12 Favored Pre-proline 0 N--CA 1.472 0.675 0 C-N-CA 129.198 2.999 . . . . 10.0 110.495 173.198 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 7' ' ' PRO . . . . . . . . . . . . . 84.5 Cg_exo -46.85 121.35 4.91 Favored 'Trans proline' 0 CA--C 1.537 0.636 0 C-N-CA 123.229 2.62 . . . . 10.0 112.293 174.279 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . 112.92 -20.43 19.78 Favored Glycine 0 CA--C 1.538 1.493 0 C-N-CA 126.565 2.031 . . . . 10.0 114.622 -171.2 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -58.57 132.22 53.12 Favored 'General case' 0 CA--C 1.544 0.734 0 CA-C-N 119.416 1.608 . . . . 10.0 114.033 -170.531 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 10' ' ' PHE . . . . . . . . . . . . . 15.1 m-30 -57.39 142.28 44.3 Favored 'General case' 0 CA--C 1.543 0.674 0 C-N-CA 124.969 1.308 . . . . 10.0 112.544 170.9 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 74.2 mt -123.9 120.4 59.54 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.558 0 C-N-CA 125.38 1.472 . . . . 10.0 107.645 169.777 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 8.3 mtpm? -120.24 83.67 2.09 Favored 'General case' 0 N--CA 1.47 0.553 0 C-N-CA 126.238 1.815 . . . . 10.0 109.944 -176.805 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 16.6 mm100 -77.33 -40.13 45.25 Favored 'General case' 0 CA--C 1.541 0.6 0 C-N-CA 126.658 1.983 . . . . 10.0 110.838 171.684 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . 103.63 67.19 0.74 Allowed Glycine 0 CA--C 1.529 0.965 0 C-N-CA 126.418 1.961 . . . . 10.0 111.094 -178.825 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 20.8 ttp180 -135.28 120.59 19.03 Favored 'General case' 0 N--CA 1.471 0.587 0 C-N-CA 126.808 2.043 . . . . 10.0 110.947 -169.84 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 70.1 tttt -82.05 138.79 34.77 Favored 'General case' 0 N--CA 1.474 0.772 0 C-N-CA 126.302 1.841 . . . . 10.0 110.898 178.795 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 56.8 mt -123.17 139.81 53.67 Favored 'General case' 0 N--CA 1.472 0.665 0 C-N-CA 125.627 1.571 . . . . 10.0 112.676 -169.94 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 12.9 p-10 -79.0 91.71 4.88 Favored 'General case' 0 CA--C 1.546 0.817 0 C-N-CA 126.516 1.926 . . . . 10.0 111.894 172.669 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . 86.0 mt -134.49 127.95 50.75 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.818 0 C-N-CA 126.527 1.931 . . . . 10.0 108.713 179.638 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 22.5 t0 -92.84 87.01 5.67 Favored 'General case' 0 CA--C 1.538 0.504 0 C-N-CA 124.036 0.934 . . . . 10.0 110.649 171.888 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 21' ' ' PHE . . . . . . . . . . . . . 91.0 m-85 -64.72 -42.16 95.44 Favored 'General case' 0 CA--C 1.539 0.55 0 C-N-CA 127.041 2.136 . . . . 10.0 112.016 172.537 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 131.87 158.15 8.94 Favored Glycine 0 CA--C 1.532 1.131 0 C-N-CA 127.749 2.595 . . . . 10.0 109.772 -169.338 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -40.51 -59.01 1.44 Allowed 'General case' 0 CA--C 1.546 0.792 0 N-CA-C 115.245 1.572 . . . . 10.0 115.245 -169.563 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 2.0 tp10 -68.57 -41.0 80.31 Favored 'General case' 0 N--CA 1.473 0.698 0 O-C-N 121.504 -0.748 . . . . 10.0 112.972 -178.311 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -65.79 -38.39 94.35 Favored Glycine 0 CA--C 1.533 1.203 0 C-N-CA 124.321 0.962 . . . . 10.0 113.783 176.677 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 90.5 m-20 -58.24 -50.57 73.12 Favored 'General case' 0 CA--C 1.535 0.37 0 C-N-CA 125.909 1.684 . . . . 10.0 110.335 173.037 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 92.8 mtt180 -55.89 -49.63 72.87 Favored 'General case' 0 N--CA 1.478 0.963 0 C-N-CA 124.547 1.139 . . . . 10.0 111.026 174.68 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 28' ' ' TYR . . . . . . . . . . . . . 74.5 t80 -58.42 -56.37 23.03 Favored 'General case' 0 CA--C 1.536 0.412 0 C-N-CA 124.412 1.085 . . . . 10.0 112.249 179.963 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 29' ' ' TYR . . . . . . . . . . . . . 80.5 t80 -56.51 -50.59 71.34 Favored 'General case' 0 CA--C 1.537 0.459 0 C-N-CA 124.07 0.948 . . . . 10.0 112.201 176.454 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -51.81 -35.68 45.08 Favored 'General case' 0 CA--C 1.545 0.773 0 N-CA-C 113.713 1.005 . . . . 10.0 113.713 179.158 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -86.83 -28.75 22.72 Favored 'General case' 0 CA--C 1.551 1.004 0 C-N-CA 125.509 1.524 . . . . 10.0 114.945 175.898 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 32' ' ' ASN . . . . . . . . . . . . . 53.4 m-80 -122.83 10.78 9.61 Favored 'General case' 0 CA--C 1.547 0.83 0 N-CA-C 116.441 2.015 . . . . 10.0 116.441 -169.1 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 33' ' ' TYR . . . . . . . . . . . . . 45.7 p90 -48.23 -34.1 9.69 Favored 'General case' 0 N--CA 1.477 0.908 0 C-N-CA 126.277 1.831 . . . . 10.0 114.824 -177.755 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 34' ' ' TRP . . . . . . . . . . . . . 64.1 p-90 -51.44 -29.74 17.12 Favored 'General case' 0 CA--C 1.545 0.782 0 C-N-CA 126.298 1.839 . . . . 10.0 114.772 173.78 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 30.4 mt-30 -72.5 -31.88 65.72 Favored 'General case' 0 N--CA 1.473 0.709 0 C-N-CA 124.729 1.212 . . . . 10.0 113.771 175.562 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 36' ' ' PHE . . . . . . . . . . . . . 46.4 m-85 -78.75 151.98 77.25 Favored Pre-proline 0 CA--C 1.545 0.76 0 C-N-CA 125.045 1.338 . . . . 10.0 112.872 -169.671 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 94.9 Cg_endo -73.61 103.87 1.71 Allowed 'Trans proline' 0 CA--C 1.536 0.611 0 C-N-CA 123.49 2.793 . . . . 10.0 109.52 169.602 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 3.0 p30 -70.02 -24.61 63.31 Favored 'General case' 0 N--CA 1.474 0.768 0 O-C-N 120.786 -1.196 . . . . 10.0 112.482 179.045 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . -126.37 162.7 20.5 Favored Glycine 0 CA--C 1.539 1.56 0 C-N-CA 126.177 1.846 . . . . 10.0 110.805 168.821 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 40' ' ' ILE . . . . . . . . . . . . . 94.7 mt -137.01 123.73 29.45 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.883 0 C-N-CA 124.521 1.129 . . . . 10.0 108.901 173.431 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 41' ' ' TYR . . . . . . . . . . . . . 67.3 t80 -71.59 106.7 4.13 Favored 'General case' 0 CA--C 1.535 0.383 0 C-N-CA 123.694 0.798 . . . . 10.0 110.191 171.888 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 42' ' ' TYR . . . . . . . . . . . . . 83.9 t80 -155.09 135.16 13.02 Favored 'General case' 0 CA--C 1.534 0.364 0 C-N-CA 124.138 0.975 . . . . 10.0 110.856 172.035 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 47.5 mt-10 -134.37 83.51 2.04 Favored 'General case' 0 N--CA 1.471 0.591 0 C-N-CA 125.905 1.682 . . . . 10.0 110.404 -175.708 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . -81.81 -29.4 38.89 Favored Glycine 0 CA--C 1.536 1.38 0 C-N-CA 124.739 1.162 . . . . 10.0 114.622 -177.292 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 45' ' ' CYS . . . . . . . . . . . . . 66.2 m -55.83 119.94 6.58 Favored 'General case' 0 CA--C 1.543 0.693 0 C-N-CA 126.003 1.721 . . . . 10.0 112.907 -176.663 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 14.5 p -144.68 -61.09 0.37 Allowed 'General case' 0 N--CA 1.472 0.633 0 C-N-CA 126.086 1.755 . . . . 10.0 111.788 178.93 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 11.5 pt-20 -142.59 158.95 43.14 Favored 'General case' 0 N--CA 1.472 0.659 0 C-N-CA 125.969 1.708 . . . . 10.0 112.915 -179.362 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -52.94 -29.2 27.33 Favored 'General case' 0 CA--C 1.546 0.794 0 C-N-CA 126.262 1.825 . . . . 10.0 115.546 -174.891 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 74.6 m-20 -59.41 -29.12 67.52 Favored 'General case' 0 CA--C 1.545 0.784 0 C-N-CA 124.628 1.171 . . . . 10.0 113.196 173.989 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . 64.2 t -74.81 95.15 0.9 Allowed 'Isoleucine or valine' 0 N--CA 1.473 0.689 0 C-N-CA 124.589 1.156 . . . . 10.0 108.724 169.784 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 81.5 p -75.4 176.71 7.23 Favored 'General case' 0 N--CA 1.477 0.906 0 C-N-CA 125.381 1.473 . . . . 10.0 111.798 171.864 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 88.0 tttt -59.99 -50.39 73.93 Favored 'General case' 0 N--CA 1.473 0.684 0 O-C-N 121.067 -1.021 . . . . 10.0 110.94 169.761 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 2.3 mp0 -50.21 -49.89 51.34 Favored 'General case' 0 CA--C 1.538 0.509 0 C-N-CA 124.797 1.239 . . . . 10.0 111.915 176.578 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 54' ' ' MET . . . . . . . . . . . . . 84.4 mmm -54.82 -57.85 9.94 Favored 'General case' 0 N--CA 1.468 0.452 0 C-N-CA 124.628 1.171 . . . . 10.0 112.176 171.078 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 6.9 tt -60.07 -54.72 42.65 Favored 'General case' 0 CA--C 1.534 0.342 0 C-N-CA 124.3 1.04 . . . . 10.0 112.472 -174.043 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 96.2 t -58.47 -45.33 90.03 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.795 0 C-N-CA 125.543 1.537 . . . . 10.0 111.228 -177.391 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 57' ' ' THR . . . . . . . . . . . . . 62.4 m -60.44 -48.72 80.54 Favored 'General case' 0 N--CA 1.477 0.923 0 C-N-CA 124.148 0.979 . . . . 10.0 111.455 173.48 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 48.8 m -59.23 -39.3 82.31 Favored 'General case' 0 N--CA 1.471 0.609 0 C-N-CA 124.136 0.974 . . . . 10.0 112.612 176.086 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 59' ' ' CYS . . . . . . . . . . . . . 44.6 t -59.08 -48.78 80.35 Favored 'General case' 0 CA--C 1.536 0.44 0 C-N-CA 126.094 1.757 . . . . 10.0 112.662 173.447 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 60' ' ' VAL . . . . . . . . . . . . . 51.1 t -55.92 -50.63 67.9 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.042 0 CA-C-N 119.129 0.877 . . . . 10.0 111.298 171.993 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 61' ' ' ASN . . . . . . . . . . . . . 21.9 m-80 -57.04 -44.95 83.46 Favored 'General case' 0 CA--C 1.544 0.729 0 C-N-CA 124.508 1.123 . . . . 10.0 113.018 175.915 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -61.55 -46.66 88.99 Favored 'General case' 0 CA--C 1.538 0.484 0 C-N-CA 124.476 1.111 . . . . 10.0 111.33 174.834 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 63' ' ' THR . . . . . . . . . . . . . 32.6 m -55.89 -47.99 76.41 Favored 'General case' 0 N--CA 1.472 0.673 0 C-N-CA 125.376 1.471 . . . . 10.0 111.815 176.029 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 64' ' ' GLN . . . . . . . . . . . . . 42.1 mt-30 -50.16 -60.66 2.74 Favored 'General case' 0 CA--C 1.538 0.517 0 C-N-CA 124.413 1.085 . . . . 10.0 111.534 170.78 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -56.92 -43.54 81.53 Favored 'General case' 0 CA--C 1.545 0.758 0 C-N-CA 125.867 1.667 . . . . 10.0 114.141 -178.082 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -68.26 -35.82 78.48 Favored 'General case' 0 CA--C 1.545 0.755 0 C-N-CA 125.153 1.381 . . . . 10.0 114.206 179.506 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 67' ' ' ASN . . . . . . . . . . . . . 7.1 m-80 -123.54 37.81 4.33 Favored 'General case' 0 CA--C 1.547 0.836 0 C-N-CA 124.271 1.028 . . . . 10.0 113.091 -169.776 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 68' ' ' GLN . . . . . . . . . . . . . 62.8 mt-30 -51.94 -50.94 60.17 Favored 'General case' 0 N--CA 1.476 0.871 0 C-N-CA 126.142 1.777 . . . . 10.0 113.241 -175.917 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -53.43 -46.79 69.95 Favored 'General case' 0 CA--C 1.541 0.597 0 C-N-CA 125.257 1.423 . . . . 10.0 112.937 -178.199 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 23.5 mm-40 -58.21 -56.34 23.26 Favored 'General case' 0 N--CA 1.469 0.515 0 C-N-CA 124.5 1.12 . . . . 10.0 111.177 -178.564 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 71' ' ' PHE . . . . . . . . . . . . . 25.9 m-85 -55.71 -48.84 74.47 Favored 'General case' 0 CA--C 1.538 0.519 0 C-N-CA 124.522 1.129 . . . . 10.0 112.159 174.949 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 69.8 m -56.3 -46.44 79.8 Favored 'General case' 0 N--CA 1.473 0.703 0 C-N-CA 125.527 1.531 . . . . 10.0 113.386 -179.282 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 73' ' ' ARG . . . . . . . . . . . . . 28.7 mmm180 -66.16 -55.18 17.63 Favored 'General case' 0 N--CA 1.474 0.759 0 C-N-CA 124.501 1.121 . . . . 10.0 112.147 174.997 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 31.5 mm-40 -57.95 -55.86 29.43 Favored 'General case' 0 N--CA 1.471 0.579 0 C-N-CA 124.533 1.133 . . . . 10.0 113.493 -173.991 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 20.4 pttp -49.51 -27.28 4.18 Favored 'General case' 0 N--CA 1.473 0.686 0 N-CA-C 116.882 2.178 . . . . 10.0 116.882 -170.05 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 76' ' ' GLN . . . . . . . . . . . . . 21.9 mm100 -58.4 -33.83 70.08 Favored 'General case' 0 CA--C 1.542 0.667 0 C-N-CA 125.693 1.597 . . . . 10.0 113.055 178.228 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 32.6 t70 -135.1 -40.22 0.75 Allowed 'General case' 0 N--CA 1.473 0.715 0 C-N-CA 125.753 1.621 . . . . 10.0 113.088 -176.121 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -77.13 52.92 0.93 Allowed 'General case' 0 CA--C 1.545 0.767 0 C-N-CA 127.814 2.446 . . . . 10.0 112.681 -176.074 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 99.3 mttt -59.33 -52.29 66.26 Favored 'General case' 0 N--CA 1.475 0.778 0 C-N-CA 126.087 1.755 . . . . 10.0 112.421 -174.681 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 50.6 tp -57.14 -46.21 82.88 Favored 'General case' 0 N--CA 1.471 0.587 0 C-N-CA 123.873 0.869 . . . . 10.0 111.552 173.073 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 81' ' ' HIS . . . . . . . . . . . . . 17.7 t-160 -52.18 -54.48 30.28 Favored 'General case' 0 N--CA 1.47 0.566 0 CA-C-O 117.995 -1.002 . . . . 10.0 111.454 177.418 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 82' ' ' GLN . . . . . . . . . . . . . 20.4 mm100 -49.9 -52.44 33.0 Favored 'General case' 0 N--CA 1.473 0.684 0 CA-C-N 119.277 0.944 . . . . 10.0 112.858 178.656 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 83' ' ' ARG . . . . . . . . . . . . . 55.5 mmm-85 -54.61 -54.33 42.85 Favored 'General case' 0 N--CA 1.48 1.071 0 C-N-CA 123.905 0.882 . . . . 10.0 112.524 178.702 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 84' ' ' VAL . . . . . . . . . . . . . 43.7 t -59.32 -49.53 83.16 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.895 0 C-N-CA 125.519 1.527 . . . . 10.0 110.794 177.189 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 85' ' ' LEU . . . . . . . . . . . . . 47.4 tp -55.79 -47.28 77.36 Favored 'General case' 0 N--CA 1.468 0.458 0 C-N-CA 127.166 2.186 . . . . 10.0 112.83 178.11 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 86' ' ' TRP . . . . . . . . . . . . . 62.1 m95 -63.3 -42.8 99.07 Favored 'General case' 0 N--CA 1.469 0.491 0 N-CA-C 113.82 1.045 . . . . 10.0 113.82 175.356 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 87' ' ' ARG . . . . . . . . . . . . . 14.0 tpt180 -56.75 -50.87 70.95 Favored 'General case' 0 N--CA 1.476 0.865 0 CA-C-N 118.853 0.751 . . . . 10.0 111.553 170.067 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 88' ' ' LEU . . . . . . . . . . . . . 1.9 tm? -52.17 -52.78 49.86 Favored 'General case' 0 CA--C 1.545 0.783 0 C-N-CA 125.772 1.629 . . . . 10.0 111.816 173.89 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 89' ' ' ILE . . . . . . . . . . . . . 70.3 mt -53.28 -50.74 45.65 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.788 0 C-N-CA 124.705 1.202 . . . . 10.0 111.082 173.905 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 16.7 tppt? -57.53 -48.51 79.11 Favored 'General case' 0 N--CA 1.474 0.753 0 C-N-CA 124.613 1.165 . . . . 10.0 112.965 177.371 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 68.8 mm-40 -52.67 -48.98 66.13 Favored 'General case' 0 N--CA 1.474 0.775 0 CA-C-N 119.437 1.017 . . . . 10.0 111.869 174.01 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 92' ' ' ILE . . . . . . . . . . . . . 97.3 mt -60.92 -52.06 65.98 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.679 0 C-N-CA 124.142 0.977 . . . . 10.0 111.536 174.921 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 93' ' ' CYS . . . . . . . . . . . . . 56.4 m -56.01 -46.33 78.79 Favored 'General case' 0 CA--C 1.542 0.654 0 C-N-CA 123.821 0.848 . . . . 10.0 112.248 177.943 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 16.2 t -51.19 -37.88 49.12 Favored 'General case' 0 N--CA 1.476 0.868 0 C-N-CA 125.516 1.526 . . . . 10.0 113.777 173.495 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . -66.77 -21.97 66.05 Favored 'General case' 0 CA--C 1.548 0.894 0 N-CA-C 114.924 1.453 . . . . 10.0 114.924 179.702 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 96' ' ' LYS . . . . . . . . . . . . . 3.4 mptp? -62.63 123.8 19.33 Favored 'General case' 0 N--CA 1.48 1.06 0 CA-C-N 119.643 1.11 . . . . 10.0 109.748 173.46 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 97' ' ' HIS . . . . . 0.471 ' HA ' ' CZ3' ' A' ' 101' ' ' TRP . 3.5 m-70 -133.61 154.05 51.19 Favored 'General case' 0 N--CA 1.473 0.684 0 C-N-CA 125.515 1.526 . . . . 10.0 111.635 177.7 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 98' ' ' CYS . . . . . . . . . . . . . 33.2 m -118.14 135.95 53.91 Favored 'General case' 0 CA--C 1.537 0.48 0 C-N-CA 124.811 1.244 . . . . 10.0 111.645 -179.819 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 99' ' ' ASP . . . . . . . . . . . . . 32.2 t70 -58.75 -37.82 77.05 Favored 'General case' 0 CA--C 1.544 0.735 0 C-N-CA 124.852 1.261 . . . . 10.0 113.194 -179.899 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 100' ' ' PHE . . . . . . . . . . . . . 12.5 p90 -69.28 -12.53 61.75 Favored 'General case' 0 CA--C 1.545 0.776 0 N-CA-C 115.337 1.606 . . . . 10.0 115.337 -179.364 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 101' ' ' TRP . . . . . 0.471 ' CZ3' ' HA ' ' A' ' 97' ' ' HIS . 40.5 m0 . . . . . 0 N--CA 1.474 0.738 0 CA-C-N 119.901 1.228 . . . . 10.0 113.543 -179.093 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 5' ' ' ASN . . . . . . . . . . . . . 14.4 t-20 . . . . . 0 CA--C 1.546 0.823 0 CA-C-O 122.657 1.217 . . . . 10.0 110.428 . . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 33.7 ptt180 -84.67 153.19 61.02 Favored Pre-proline 0 N--CA 1.475 0.81 0 C-N-CA 126.187 1.795 . . . . 10.0 111.819 169.794 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 7' ' ' PRO . . . . . . . . . . . . . 54.6 Cg_exo -51.43 121.04 7.77 Favored 'Trans proline' 0 CA--C 1.537 0.661 0 C-N-CA 123.461 2.774 . . . . 10.0 112.107 174.653 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . 115.34 -19.95 14.34 Favored Glycine 0 CA--C 1.537 1.434 0 C-N-CA 126.392 1.948 . . . . 10.0 114.216 -173.749 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -56.12 130.42 44.08 Favored 'General case' 0 CA--C 1.549 0.93 0 CA-C-N 119.432 1.616 . . . . 10.0 113.753 -171.322 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 10' ' ' PHE . . . . . . . . . . . . . 14.0 m-30 -57.78 145.44 34.85 Favored 'General case' 0 CA--C 1.542 0.657 0 C-N-CA 125.424 1.489 . . . . 10.0 113.085 173.844 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 53.4 mt -125.43 108.41 19.71 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.48 0 C-N-CA 125.06 1.344 . . . . 10.0 107.432 169.697 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 79.0 mttt -107.9 84.34 1.94 Allowed 'General case' 0 N--CA 1.471 0.622 0 C-N-CA 126.162 1.785 . . . . 10.0 110.417 -179.398 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 34.1 mt-30 -76.35 -35.33 58.77 Favored 'General case' 0 CA--C 1.541 0.599 0 C-N-CA 125.331 1.452 . . . . 10.0 110.508 169.717 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . 97.34 16.16 35.7 Favored Glycine 0 CA--C 1.535 1.316 0 C-N-CA 126.029 1.776 . . . . 10.0 113.122 -175.54 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 12.9 ttp180 -69.61 114.14 7.55 Favored 'General case' 0 N--CA 1.469 0.518 0 C-N-CA 127.609 2.364 . . . . 10.0 110.46 178.463 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 77.1 tttt -75.22 106.23 6.64 Favored 'General case' 0 N--CA 1.473 0.721 0 C-N-CA 125.236 1.414 . . . . 10.0 110.713 178.734 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 71.4 mt -79.77 179.66 7.41 Favored 'General case' 0 CA--C 1.546 0.8 0 C-N-CA 125.507 1.523 . . . . 10.0 112.221 -179.6 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 20.7 t70 -131.78 102.33 5.83 Favored 'General case' 0 CA--C 1.541 0.619 0 C-N-CA 125.695 1.598 . . . . 10.0 110.392 174.189 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . 95.4 mt -136.31 129.11 46.07 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.695 0 C-N-CA 127.159 2.183 . . . . 10.0 107.983 -175.542 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 24.3 t0 -87.31 84.1 7.26 Favored 'General case' 0 CA--C 1.54 0.567 0 CA-C-O 121.953 0.882 . . . . 10.0 110.828 172.737 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 21' ' ' PHE . . . . . . . . . . . . . 83.1 m-85 -62.61 -44.16 97.0 Favored 'General case' 0 CA--C 1.539 0.557 0 C-N-CA 126.786 2.035 . . . . 10.0 111.524 169.995 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 133.55 158.6 8.74 Favored Glycine 0 CA--C 1.533 1.213 0 C-N-CA 128.142 2.782 . . . . 10.0 110.185 -169.686 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -41.82 -53.93 3.55 Favored 'General case' 0 CA--C 1.547 0.852 0 N-CA-C 116.078 1.881 . . . . 10.0 116.078 -169.659 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 39.4 tt0 -66.28 -48.14 71.37 Favored 'General case' 0 N--CA 1.473 0.703 0 C-N-CA 125.086 1.354 . . . . 10.0 112.416 178.177 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -64.65 -40.28 97.39 Favored Glycine 0 CA--C 1.534 1.219 0 C-N-CA 124.958 1.266 . . . . 10.0 114.084 179.689 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 81.1 m-20 -55.09 -50.78 68.32 Favored 'General case' 0 CA--C 1.534 0.333 0 C-N-CA 126.468 1.907 . . . . 10.0 110.292 172.91 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 74.0 mtt85 -60.2 -46.08 90.95 Favored 'General case' 0 N--CA 1.475 0.808 0 C-N-CA 124.496 1.118 . . . . 10.0 111.701 176.656 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 28' ' ' TYR . . . . . . . . . . . . . 68.4 t80 -57.93 -54.65 44.57 Favored 'General case' 0 CA--C 1.537 0.452 0 C-N-CA 123.812 0.845 . . . . 10.0 112.322 176.636 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 29' ' ' TYR . . . . . . . . . . . . . 74.8 t80 -56.88 -51.36 69.36 Favored 'General case' 0 N--CA 1.468 0.438 0 C-N-CA 123.867 0.867 . . . . 10.0 112.097 176.467 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -51.23 -32.94 25.8 Favored 'General case' 0 CA--C 1.546 0.809 0 N-CA-C 114.007 1.114 . . . . 10.0 114.007 178.571 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -89.28 -28.57 19.8 Favored 'General case' 0 CA--C 1.551 1.019 0 C-N-CA 125.637 1.575 . . . . 10.0 114.962 175.914 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 32' ' ' ASN . . . . . . . . . . . . . 55.8 m-80 -122.53 7.64 9.52 Favored 'General case' 0 CA--C 1.547 0.859 0 N-CA-C 116.371 1.989 . . . . 10.0 116.371 -169.153 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 33' ' ' TYR . . . . . . . . . . . . . 47.5 p90 -43.87 -38.57 3.41 Favored 'General case' 0 N--CA 1.477 0.891 0 C-N-CA 127.548 2.339 . . . . 10.0 114.959 -178.006 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 34' ' ' TRP . . . . . . . . . . . . . 63.5 p-90 -49.95 -33.39 17.46 Favored 'General case' 0 CA--C 1.545 0.76 0 C-N-CA 126.528 1.931 . . . . 10.0 114.436 175.479 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 29.7 mt-30 -70.42 -32.02 69.46 Favored 'General case' 0 N--CA 1.471 0.62 0 C-N-CA 124.587 1.155 . . . . 10.0 113.956 176.69 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 36' ' ' PHE . . . . . . . . . . . . . 50.9 m-85 -78.13 150.31 77.43 Favored Pre-proline 0 CA--C 1.543 0.706 0 C-N-CA 125.171 1.388 . . . . 10.0 113.489 -169.556 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 83.2 Cg_endo -74.56 96.56 0.99 Allowed 'Trans proline' 0 CA--C 1.537 0.631 0 C-N-CA 123.661 2.907 . . . . 10.0 109.785 169.617 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 3.8 p30 -66.53 -25.24 66.58 Favored 'General case' 0 N--CA 1.474 0.75 0 O-C-N 120.963 -1.086 . . . . 10.0 112.401 178.642 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . -124.4 162.02 18.67 Favored Glycine 0 CA--C 1.537 1.408 0 C-N-CA 125.911 1.72 . . . . 10.0 110.717 168.904 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 40' ' ' ILE . . . . . . . . . . . . . 96.9 mt -135.96 124.14 36.72 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.712 0 C-N-CA 124.691 1.196 . . . . 10.0 108.74 175.173 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 41' ' ' TYR . . . . . . . . . . . . . 72.5 t80 -76.64 120.78 22.3 Favored 'General case' 0 CA--C 1.534 0.341 0 C-N-CA 124.379 1.071 . . . . 10.0 109.486 169.876 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 42' ' ' TYR . . . . . . . . . . . . . 49.6 t80 -151.54 151.62 31.83 Favored 'General case' 0 CA--C 1.541 0.602 0 O-C-N 121.418 -0.802 . . . . 10.0 111.901 177.147 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 48.1 mt-10 -130.16 96.61 4.22 Favored 'General case' 0 CA--C 1.538 0.494 0 C-N-CA 126.379 1.872 . . . . 10.0 109.717 -178.584 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . -113.94 -71.12 0.54 Allowed Glycine 0 CA--C 1.531 1.041 0 C-N-CA 125.56 1.552 . . . . 10.0 113.169 -174.281 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 45' ' ' CYS . . . . . . . . . . . . . 29.5 m -58.69 137.05 57.81 Favored 'General case' 0 CA--C 1.541 0.617 0 C-N-CA 125.463 1.505 . . . . 10.0 113.858 -178.698 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 49.4 p -145.91 -50.81 0.23 Allowed 'General case' 0 N--CA 1.472 0.661 0 C-N-CA 126.699 2.0 . . . . 10.0 111.417 179.61 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 11.5 pt-20 -138.54 161.2 37.67 Favored 'General case' 0 CA--C 1.541 0.605 0 C-N-CA 126.884 2.074 . . . . 10.0 112.352 178.643 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -52.48 -26.62 13.41 Favored 'General case' 0 CA--C 1.545 0.779 0 C-N-CA 126.484 1.914 . . . . 10.0 115.726 -174.614 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 71.0 m-20 -61.14 -31.03 70.75 Favored 'General case' 0 CA--C 1.545 0.758 0 C-N-CA 124.42 1.088 . . . . 10.0 113.32 174.478 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . 58.2 t -70.07 108.41 2.2 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.831 0 C-N-CA 124.434 1.094 . . . . 10.0 109.735 172.895 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 54.9 p -85.48 173.37 10.28 Favored 'General case' 0 N--CA 1.477 0.875 0 C-N-CA 124.186 0.994 . . . . 10.0 112.229 179.325 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 83.1 tttt -62.6 -49.02 76.89 Favored 'General case' 0 N--CA 1.471 0.584 0 O-C-N 121.403 -0.811 . . . . 10.0 110.954 169.742 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 2.3 mp0 -49.83 -48.35 50.99 Favored 'General case' 0 N--CA 1.471 0.584 0 C-N-CA 124.923 1.289 . . . . 10.0 112.212 174.975 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 54' ' ' MET . . . . . . . . . . . . . 92.9 mtp -55.1 -58.15 8.85 Favored 'General case' 0 N--CA 1.468 0.437 0 C-N-CA 124.409 1.084 . . . . 10.0 111.927 170.224 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 7.8 tt -53.73 -54.68 34.63 Favored 'General case' 0 CA--C 1.536 0.405 0 C-N-CA 124.185 0.994 . . . . 10.0 113.046 -178.544 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 47.8 t -58.95 -49.92 81.44 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.877 0 C-N-CA 124.155 0.982 . . . . 10.0 111.002 -175.017 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 57' ' ' THR . . . . . . . . . . . . . 31.0 m -60.67 -49.83 75.95 Favored 'General case' 0 N--CA 1.476 0.831 0 C-N-CA 124.488 1.115 . . . . 10.0 111.808 176.239 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 49.3 m -62.51 -37.92 87.94 Favored 'General case' 0 N--CA 1.472 0.638 0 C-N-CA 124.065 0.946 . . . . 10.0 112.651 179.512 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 59' ' ' CYS . . . . . . . . . . . . . 35.1 t -58.5 -49.27 77.98 Favored 'General case' 0 CA--C 1.537 0.475 0 C-N-CA 126.023 1.729 . . . . 10.0 112.452 173.332 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 60' ' ' VAL . . . . . . . . . . . . . 54.8 t -54.89 -51.14 55.85 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.062 0 C-N-CA 124.032 0.933 . . . . 10.0 111.342 171.664 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 61' ' ' ASN . . . . . . . . . . . . . 20.8 m-80 -58.11 -45.34 87.43 Favored 'General case' 0 CA--C 1.545 0.774 0 C-N-CA 124.547 1.139 . . . . 10.0 113.058 176.938 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -61.95 -47.37 85.18 Favored 'General case' 0 CA--C 1.535 0.398 0 C-N-CA 124.4 1.08 . . . . 10.0 111.297 175.914 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 63' ' ' THR . . . . . . . . . . . . . 33.4 m -53.12 -52.05 59.94 Favored 'General case' 0 N--CA 1.472 0.653 0 C-N-CA 125.057 1.343 . . . . 10.0 111.357 175.219 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 64' ' ' GLN . . . . . . . . . . . . . 79.3 mt-30 -49.5 -59.31 3.87 Favored 'General case' 0 N--CA 1.47 0.563 0 C-N-CA 125.253 1.421 . . . . 10.0 112.21 173.242 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -56.42 -43.22 79.16 Favored 'General case' 0 CA--C 1.544 0.743 0 C-N-CA 125.311 1.444 . . . . 10.0 113.554 179.717 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -71.96 -33.42 68.16 Favored 'General case' 0 CA--C 1.543 0.685 0 N-CA-C 114.634 1.346 . . . . 10.0 114.634 -177.07 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 67' ' ' ASN . . . . . . . . . . . . . 9.6 m-80 -122.55 40.18 3.74 Favored 'General case' 0 CA--C 1.547 0.863 0 CA-C-N 119.299 0.954 . . . . 10.0 112.737 -170.335 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 68' ' ' GLN . . . . . . . . . . . . . 65.9 mt-30 -53.91 -45.07 71.05 Favored 'General case' 0 N--CA 1.475 0.795 0 C-N-CA 125.572 1.549 . . . . 10.0 113.338 -177.949 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -54.94 -43.57 73.52 Favored 'General case' 0 CA--C 1.544 0.73 0 C-N-CA 125.363 1.465 . . . . 10.0 113.43 179.462 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 10.0 mm-40 -65.44 -53.62 40.28 Favored 'General case' 0 N--CA 1.47 0.567 0 C-N-CA 125.636 1.575 . . . . 10.0 111.37 176.669 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 71' ' ' PHE . . . . . . . . . . . . . 37.6 m-85 -61.25 -31.45 71.25 Favored 'General case' 0 N--CA 1.469 0.502 0 N-CA-C 113.669 0.988 . . . . 10.0 113.669 178.25 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 69.6 m -62.18 -55.51 27.88 Favored 'General case' 0 N--CA 1.471 0.596 0 C-N-CA 124.004 0.922 . . . . 10.0 112.16 175.417 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 73' ' ' ARG . . . . . . . . . . . . . 20.2 ptp180 -70.25 -50.7 37.01 Favored 'General case' 0 N--CA 1.476 0.832 0 C-N-CA 124.05 0.94 . . . . 10.0 113.437 -177.815 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 69.5 mm-40 -81.33 52.35 1.82 Allowed 'General case' 0 N--CA 1.477 0.91 0 C-N-CA 125.311 1.444 . . . . 10.0 112.236 -179.741 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 41.0 ttmt -142.37 -53.68 0.42 Allowed 'General case' 0 N--CA 1.477 0.923 0 C-N-CA 125.841 1.656 . . . . 10.0 113.288 176.623 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 76' ' ' GLN . . . . . . . . . . . . . 17.7 mm100 -43.93 -45.48 7.69 Favored 'General case' 0 N--CA 1.474 0.768 0 C-N-CA 126.992 2.117 . . . . 10.0 114.533 -169.832 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 26.4 t0 -135.76 50.07 2.12 Favored 'General case' 0 CA--C 1.544 0.747 0 C-N-CA 124.889 1.276 . . . . 10.0 110.36 169.911 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 5.6 m -143.84 37.17 1.3 Allowed 'General case' 0 N--CA 1.477 0.886 0 C-N-CA 125.209 1.404 . . . . 10.0 112.43 -169.907 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 14.5 mmmm -58.97 -45.38 90.69 Favored 'General case' 0 N--CA 1.478 0.969 0 C-N-CA 124.863 1.265 . . . . 10.0 112.941 -175.119 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 44.6 tp -55.72 -46.88 77.64 Favored 'General case' 0 N--CA 1.472 0.632 0 C-N-CA 124.378 1.071 . . . . 10.0 111.85 171.365 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 81' ' ' HIS . . . . . . . . . . . . . 10.0 t-160 -56.63 -54.83 41.5 Favored 'General case' 0 N--CA 1.47 0.53 0 CA-C-O 118.164 -0.922 . . . . 10.0 110.996 174.164 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 82' ' ' GLN . . . . . . . . . . . . . 75.0 mm-40 -48.53 -55.66 10.47 Favored 'General case' 0 N--CA 1.476 0.827 0 C-N-CA 124.603 1.161 . . . . 10.0 112.655 176.348 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 83' ' ' ARG . . . . . . . . . . . . . 48.2 mtp180 -47.82 -57.99 4.93 Favored 'General case' 0 N--CA 1.48 1.064 0 C-N-CA 125.468 1.507 . . . . 10.0 112.548 178.295 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 84' ' ' VAL . . . . . . . . . . . . . 46.9 t -62.87 -50.12 80.94 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.8 0 C-N-CA 125.625 1.57 . . . . 10.0 111.019 179.193 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 85' ' ' LEU . . . . . . . . . . . . . 47.5 tp -55.09 -47.02 75.49 Favored 'General case' 0 N--CA 1.469 0.514 0 C-N-CA 126.541 1.936 . . . . 10.0 112.65 179.652 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 86' ' ' TRP . . . . . . . . . . . . . 63.0 m95 -62.43 -45.9 91.01 Favored 'General case' 0 N--CA 1.465 0.301 0 N-CA-C 113.66 0.985 . . . . 10.0 113.66 175.471 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 87' ' ' ARG . . . . . . . . . . . . . 13.9 tpt180 -55.77 -50.9 69.2 Favored 'General case' 0 N--CA 1.473 0.721 0 CA-C-N 119.062 0.846 . . . . 10.0 111.489 171.212 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 88' ' ' LEU . . . . . . . . . . . . . 1.7 tm? -52.52 -53.31 47.77 Favored 'General case' 0 CA--C 1.545 0.769 0 C-N-CA 125.982 1.713 . . . . 10.0 112.027 175.314 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 89' ' ' ILE . . . . . . . . . . . . . 70.7 mt -54.93 -53.91 28.86 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.835 0 C-N-CA 124.355 1.062 . . . . 10.0 111.059 175.237 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 94.2 mttt -57.95 -43.5 86.41 Favored 'General case' 0 N--CA 1.472 0.627 0 C-N-CA 124.525 1.13 . . . . 10.0 112.836 178.322 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 8.7 tp10 -54.65 -51.45 65.39 Favored 'General case' 0 CA--C 1.543 0.704 0 C-N-CA 125.502 1.521 . . . . 10.0 111.465 173.309 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 92' ' ' ILE . . . . . . . . . . . . . 96.5 mt -57.58 -52.55 55.85 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.932 0 C-N-CA 124.814 1.246 . . . . 10.0 111.551 174.049 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 93' ' ' CYS . . . . . . . . . . . . . 91.1 m -56.07 -43.36 77.9 Favored 'General case' 0 CA--C 1.547 0.843 0 C-N-CA 124.195 0.998 . . . . 10.0 112.363 177.625 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 53.6 m -65.89 -40.39 91.53 Favored 'General case' 0 N--CA 1.477 0.892 0 C-N-CA 126.445 1.898 . . . . 10.0 113.657 176.662 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . -62.03 -53.33 57.08 Favored 'General case' 0 CA--C 1.543 0.683 0 C-N-CA 125.008 1.323 . . . . 10.0 113.063 -176.256 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 96' ' ' LYS . . . . . . . . . . . . . 18.9 ptpt -61.31 132.99 55.36 Favored 'General case' 0 N--CA 1.476 0.845 0 C-N-CA 124.587 1.155 . . . . 10.0 112.81 -178.637 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 97' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -133.13 153.69 51.29 Favored 'General case' 0 N--CA 1.47 0.551 0 C-N-CA 126.446 1.898 . . . . 10.0 114.083 -172.648 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 98' ' ' CYS . . . . . . . . . . . . . 56.2 m -111.11 129.83 55.81 Favored 'General case' 0 N--CA 1.47 0.564 0 C-N-CA 124.764 1.225 . . . . 10.0 112.029 -174.532 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 99' ' ' ASP . . . . . . . . . . . . . 5.9 p-10 -61.03 -31.4 71.04 Favored 'General case' 0 CA--C 1.543 0.674 0 C-N-CA 125.167 1.387 . . . . 10.0 114.703 -172.648 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 100' ' ' PHE . . . . . . . . . . . . . 7.1 p90 -73.6 -14.87 61.26 Favored 'General case' 0 CA--C 1.543 0.701 0 N-CA-C 114.804 1.409 . . . . 10.0 114.804 179.8 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 101' ' ' TRP . . . . . . . . . . . . . 43.5 m0 . . . . . 0 N--CA 1.472 0.654 0 CA-C-N 119.652 1.115 . . . . 10.0 112.861 -179.982 . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' A' A ' 5' ' ' ASN . . . . . . . . . . . . . 55.1 t30 . . . . . 0 CA--C 1.544 0.744 0 CA-C-O 121.781 0.8 . . . . 10.0 111.561 . . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 7.8 ptm180 -72.7 155.67 90.67 Favored Pre-proline 0 N--CA 1.477 0.883 0 C-N-CA 124.144 0.978 . . . . 10.0 112.464 169.848 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 7' ' ' PRO . . . . . . . . . . . . . 67.1 Cg_exo -51.62 128.16 25.15 Favored 'Trans proline' 0 C--N 1.35 0.648 0 C-N-CA 123.584 2.856 . . . . 10.0 112.276 171.153 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . 106.77 -13.45 42.01 Favored Glycine 0 CA--C 1.535 1.315 0 C-N-CA 126.081 1.8 . . . . 10.0 114.143 -173.228 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -61.92 130.08 43.94 Favored 'General case' 0 CA--C 1.545 0.759 0 CA-C-N 119.39 1.595 . . . . 10.0 112.569 -176.171 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 10' ' ' PHE . . . . . . . . . . . . . 21.1 m-85 -61.28 149.3 38.34 Favored 'General case' 0 CA--C 1.541 0.602 0 C-N-CA 124.065 0.946 . . . . 10.0 112.587 174.238 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 76.7 mt -121.54 117.31 52.22 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.476 0 C-N-CA 125.735 1.614 . . . . 10.0 107.208 169.77 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 91.8 mttt -120.2 79.23 1.44 Allowed 'General case' 0 N--CA 1.471 0.59 0 C-N-CA 125.996 1.718 . . . . 10.0 109.74 -175.676 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 42.0 mt-30 -73.77 -36.72 65.12 Favored 'General case' 0 CA--C 1.539 0.536 0 C-N-CA 126.177 1.791 . . . . 10.0 110.854 171.687 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . 96.72 64.12 0.92 Allowed Glycine 0 CA--C 1.528 0.873 0 C-N-CA 125.423 1.487 . . . . 10.0 110.492 -178.317 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 15.7 ttp180 -132.33 106.57 7.99 Favored 'General case' 0 N--CA 1.469 0.496 0 C-N-CA 127.049 2.14 . . . . 10.0 110.142 -169.545 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 41.1 tttm -65.94 130.31 42.81 Favored 'General case' 0 N--CA 1.474 0.731 0 C-N-CA 123.865 0.866 . . . . 10.0 110.766 176.412 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 66.8 mt -96.89 -179.98 4.75 Favored 'General case' 0 CA--C 1.545 0.755 0 C-N-CA 126.581 1.952 . . . . 10.0 111.892 176.982 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 19.4 t0 -130.26 94.52 3.7 Favored 'General case' 0 CA--C 1.541 0.612 0 C-N-CA 125.863 1.665 . . . . 10.0 109.944 174.666 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . 94.3 mt -135.04 127.75 48.59 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.699 0 C-N-CA 126.915 2.086 . . . . 10.0 108.134 -173.321 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 23.6 t0 -86.58 84.71 7.35 Favored 'General case' 0 CA--C 1.539 0.54 0 CA-C-O 121.906 0.86 . . . . 10.0 110.542 171.712 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 21' ' ' PHE . . . . . . . . . . . . . 74.9 m-85 -62.81 -43.26 99.28 Favored 'General case' 0 CA--C 1.54 0.596 0 C-N-CA 126.794 2.038 . . . . 10.0 111.565 170.704 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 136.0 151.66 6.18 Favored Glycine 0 CA--C 1.533 1.186 0 C-N-CA 128.184 2.802 . . . . 10.0 109.685 -169.754 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -39.72 -58.31 1.36 Allowed 'General case' 0 CA--C 1.547 0.834 0 N-CA-C 115.785 1.772 . . . . 10.0 115.785 -169.46 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 33.7 tt0 -65.33 -43.27 91.5 Favored 'General case' 0 CA--C 1.546 0.79 0 C-N-CA 124.145 0.978 . . . . 10.0 112.718 -179.727 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -65.9 -39.14 94.85 Favored Glycine 0 CA--C 1.535 1.286 0 C-N-CA 124.823 1.202 . . . . 10.0 114.023 176.325 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 83.2 m-20 -56.79 -49.44 75.33 Favored 'General case' 0 CA--C 1.536 0.432 0 C-N-CA 125.842 1.657 . . . . 10.0 110.422 173.343 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 71.8 mtp85 -59.97 -45.95 91.03 Favored 'General case' 0 N--CA 1.473 0.719 0 C-N-CA 125.054 1.342 . . . . 10.0 111.468 176.592 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 28' ' ' TYR . . . . . . . . . . . . . 82.8 t80 -58.71 -53.87 53.53 Favored 'General case' 0 CA--C 1.537 0.449 0 C-N-CA 124.194 0.998 . . . . 10.0 112.008 176.459 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 29' ' ' TYR . . . . . . . . . . . . . 80.2 t80 -55.96 -52.87 62.63 Favored 'General case' 0 CA--C 1.537 0.45 0 C-N-CA 124.325 1.05 . . . . 10.0 112.484 176.684 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -49.84 -38.26 34.35 Favored 'General case' 0 CA--C 1.546 0.826 0 C-N-CA 124.232 1.013 . . . . 10.0 113.702 177.577 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -84.41 -23.26 30.11 Favored 'General case' 0 CA--C 1.551 0.985 0 N-CA-C 115.279 1.585 . . . . 10.0 115.279 176.759 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 32' ' ' ASN . . . . . . . . . . . . . 58.0 m-80 -128.48 10.03 6.12 Favored 'General case' 0 CA--C 1.548 0.883 0 N-CA-C 116.692 2.108 . . . . 10.0 116.692 -169.189 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 33' ' ' TYR . . . . . . . . . . . . . 43.4 p90 -51.33 -29.35 14.89 Favored 'General case' 0 N--CA 1.477 0.909 0 N-CA-C 115.15 1.537 . . . . 10.0 115.15 -175.648 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 34' ' ' TRP . . . . . . . . . . . . . 65.7 p-90 -50.93 -34.23 27.7 Favored 'General case' 0 CA--C 1.545 0.767 0 C-N-CA 125.85 1.66 . . . . 10.0 114.168 173.422 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 30.7 mt-30 -69.5 -39.09 77.8 Favored 'General case' 0 N--CA 1.472 0.65 0 C-N-CA 124.851 1.261 . . . . 10.0 113.672 176.34 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 36' ' ' PHE . . . . . . . . . . . . . 63.1 m-85 -73.57 154.32 89.63 Favored Pre-proline 0 CA--C 1.545 0.765 0 C-N-CA 126.305 1.842 . . . . 10.0 114.904 -169.178 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 94.3 Cg_endo -74.24 121.04 6.57 Favored 'Trans proline' 0 CA--C 1.537 0.652 0 C-N-CA 123.827 3.018 . . . . 10.0 109.494 169.171 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 3.6 p30 -87.42 -23.53 24.48 Favored 'General case' 0 CA--C 1.545 0.783 0 O-C-N 121.426 -0.796 . . . . 10.0 112.205 173.284 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . -131.36 167.11 22.64 Favored Glycine 0 CA--C 1.539 1.558 0 C-N-CA 126.365 1.936 . . . . 10.0 111.635 168.948 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 40' ' ' ILE . . . . . . . . . . . . . 96.8 mt -139.69 125.56 22.03 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.953 0 C-N-CA 125.079 1.351 . . . . 10.0 109.081 174.381 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 41' ' ' TYR . . . . . . . . . . . . . 86.7 t80 -75.48 117.6 17.45 Favored 'General case' 0 CA--C 1.537 0.455 0 C-N-CA 124.72 1.208 . . . . 10.0 110.279 169.968 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 42' ' ' TYR . . . . . . . . . . . . . 62.5 t80 -153.63 152.73 31.19 Favored 'General case' 0 CA--C 1.541 0.612 0 C-N-CA 124.263 1.025 . . . . 10.0 111.697 178.596 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 51.0 mt-10 -130.17 99.42 5.05 Favored 'General case' 0 N--CA 1.47 0.532 0 C-N-CA 125.879 1.672 . . . . 10.0 110.523 -179.441 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . -107.43 -49.99 0.83 Allowed Glycine 0 CA--C 1.532 1.13 0 C-N-CA 125.412 1.482 . . . . 10.0 114.313 -174.791 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 45' ' ' CYS . . . . . . . . . . . . . 65.2 m -59.51 127.05 30.1 Favored 'General case' 0 CA--C 1.544 0.747 0 C-N-CA 125.691 1.597 . . . . 10.0 113.246 -174.983 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 65.7 p -139.06 -58.61 0.6 Allowed 'General case' 0 N--CA 1.474 0.762 0 C-N-CA 125.834 1.654 . . . . 10.0 112.15 174.867 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 12.1 pt-20 -144.24 158.82 43.52 Favored 'General case' 0 N--CA 1.472 0.639 0 C-N-CA 125.933 1.693 . . . . 10.0 113.02 179.509 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -57.19 -21.06 30.56 Favored 'General case' 0 CA--C 1.545 0.773 0 N-CA-C 115.702 1.742 . . . . 10.0 115.702 -175.243 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 76.1 m-20 -65.61 -26.77 67.98 Favored 'General case' 0 CA--C 1.545 0.78 0 C-N-CA 124.244 1.018 . . . . 10.0 113.382 172.571 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . 67.8 t -63.63 115.05 2.2 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.85 0 C-N-CA 124.472 1.109 . . . . 10.0 109.348 170.554 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 39.6 p -86.41 172.57 10.28 Favored 'General case' 0 N--CA 1.475 0.787 0 C-N-CA 123.608 0.763 . . . . 10.0 111.983 177.383 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 40.8 tttp -60.61 -50.22 74.41 Favored 'General case' 0 N--CA 1.473 0.697 0 O-C-N 121.41 -0.806 . . . . 10.0 111.245 169.984 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 44.7 mt-10 -51.07 -49.08 61.33 Favored 'General case' 0 N--CA 1.471 0.597 0 C-N-CA 124.504 1.121 . . . . 10.0 111.803 176.011 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 54' ' ' MET . . . . . . . . . . . . . 94.5 mtp -54.25 -57.32 11.64 Favored 'General case' 0 N--CA 1.468 0.444 0 C-N-CA 124.193 0.997 . . . . 10.0 112.186 171.552 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 8.0 tt -61.69 -52.95 62.2 Favored 'General case' 0 CA--C 1.536 0.426 0 C-N-CA 123.553 0.741 . . . . 10.0 112.731 -173.424 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 62.5 t -57.32 -48.58 82.22 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.864 0 C-N-CA 124.961 1.305 . . . . 10.0 110.756 -179.869 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 57' ' ' THR . . . . . . . . . . . . . 65.9 m -59.94 -48.01 83.44 Favored 'General case' 0 N--CA 1.479 0.975 0 C-N-CA 124.346 1.058 . . . . 10.0 111.839 175.972 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 48.7 m -60.66 -39.56 88.8 Favored 'General case' 0 N--CA 1.472 0.635 0 C-N-CA 124.154 0.982 . . . . 10.0 112.522 177.395 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 59' ' ' CYS . . . . . . . . . . . . . 33.7 t -58.29 -49.4 77.26 Favored 'General case' 0 CA--C 1.54 0.561 0 C-N-CA 125.351 1.46 . . . . 10.0 112.759 171.451 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 60' ' ' VAL . . . . . . . . . . . . . 47.8 t -55.36 -48.7 76.52 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.067 0 C-N-CA 123.943 0.897 . . . . 10.0 111.501 172.092 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 61' ' ' ASN . . . . . . . . . . . . . 13.3 m-80 -59.2 -44.63 92.23 Favored 'General case' 0 CA--C 1.544 0.725 0 C-N-CA 124.547 1.139 . . . . 10.0 113.051 176.082 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -60.84 -46.51 90.28 Favored 'General case' 0 CA--C 1.537 0.445 0 C-N-CA 123.774 0.83 . . . . 10.0 111.284 174.25 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 63' ' ' THR . . . . . . . . . . . . . 27.1 m -57.53 -46.97 83.21 Favored 'General case' 0 N--CA 1.473 0.713 0 C-N-CA 124.992 1.317 . . . . 10.0 111.928 176.485 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 64' ' ' GLN . . . . . . . . . . . . . 62.1 mt-30 -50.47 -61.98 1.86 Allowed 'General case' 0 N--CA 1.468 0.451 0 C-N-CA 124.675 1.19 . . . . 10.0 111.662 169.995 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -55.14 -43.21 73.97 Favored 'General case' 0 CA--C 1.544 0.747 0 C-N-CA 125.732 1.613 . . . . 10.0 113.737 -178.471 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -66.28 -39.92 89.74 Favored 'General case' 0 CA--C 1.543 0.685 0 C-N-CA 125.449 1.5 . . . . 10.0 114.203 178.523 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 67' ' ' ASN . . . . . . . . . . . . . 12.5 m-80 -120.75 37.5 4.28 Favored 'General case' 0 N--CA 1.474 0.737 0 C-N-CA 124.206 1.002 . . . . 10.0 113.338 -169.575 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 68' ' ' GLN . . . . . . . . . . . . . 63.3 mt-30 -51.54 -53.36 38.67 Favored 'General case' 0 N--CA 1.475 0.798 0 C-N-CA 125.745 1.618 . . . . 10.0 112.417 -179.014 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -52.54 -45.78 66.5 Favored 'General case' 0 CA--C 1.54 0.582 0 C-N-CA 125.309 1.444 . . . . 10.0 112.944 178.769 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 8.2 mm-40 -57.78 -56.08 26.62 Favored 'General case' 0 N--CA 1.471 0.59 0 C-N-CA 124.45 1.1 . . . . 10.0 111.601 179.733 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 71' ' ' PHE . . . . . . . . . . . . . 29.6 m-85 -55.71 -50.1 71.23 Favored 'General case' 0 CA--C 1.539 0.54 0 C-N-CA 124.374 1.069 . . . . 10.0 112.098 176.75 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 61.9 m -56.65 -52.8 63.49 Favored 'General case' 0 N--CA 1.474 0.725 0 C-N-CA 124.857 1.263 . . . . 10.0 113.519 177.175 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 73' ' ' ARG . . . . . . . . . . . . . 64.4 mtm180 -60.03 -55.5 33.23 Favored 'General case' 0 N--CA 1.476 0.864 0 C-N-CA 124.754 1.221 . . . . 10.0 112.537 179.485 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 52.0 mm-40 -55.05 -68.45 0.19 Allowed 'General case' 0 CA--C 1.541 0.603 0 C-N-CA 125.011 1.324 . . . . 10.0 112.793 -178.5 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 88.0 tttt -33.11 -45.93 0.15 Allowed 'General case' 0 N--CA 1.481 1.081 0 C-N-CA 129.054 2.942 . . . . 10.0 116.096 -171.317 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 76' ' ' GLN . . . . . . . . . . . . . 20.0 mm100 -46.7 -49.38 19.5 Favored 'General case' 0 CA--C 1.542 0.661 0 C-N-CA 125.734 1.613 . . . . 10.0 113.025 178.129 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 32.7 t70 -104.59 -50.8 3.22 Favored 'General case' 0 N--CA 1.471 0.624 0 C-N-CA 125.447 1.499 . . . . 10.0 111.608 176.982 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 56.3 m -75.23 65.65 1.61 Allowed 'General case' 0 CA--C 1.54 0.568 0 C-N-CA 127.552 2.341 . . . . 10.0 112.018 176.328 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 64.0 mttp -66.24 -59.92 3.28 Favored 'General case' 0 N--CA 1.475 0.821 0 C-N-CA 126.519 1.927 . . . . 10.0 112.148 178.658 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 62.9 tp -53.16 -42.06 65.77 Favored 'General case' 0 N--CA 1.476 0.834 0 C-N-CA 125.091 1.356 . . . . 10.0 112.006 176.238 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 81' ' ' HIS . . . . . . . . . . . . . 13.6 t-160 -46.58 -48.17 19.64 Favored 'General case' 0 N--CA 1.468 0.454 0 C-N-CA 124.798 1.239 . . . . 10.0 111.839 179.632 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 82' ' ' GLN . . . . . . . . . . . . . 70.2 mm-40 -52.35 -52.09 55.25 Favored 'General case' 0 N--CA 1.47 0.564 0 C-N-CA 124.355 1.062 . . . . 10.0 112.825 -177.72 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 83' ' ' ARG . . . . . . . . . . . . . 16.4 mmp_? -55.03 -53.46 55.5 Favored 'General case' 0 N--CA 1.478 0.951 0 C-N-CA 124.799 1.239 . . . . 10.0 111.836 -179.991 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 84' ' ' VAL . . . . . . . . . . . . . 18.3 t -59.8 -53.49 47.78 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.769 0 C-N-CA 126.217 1.807 . . . . 10.0 110.722 177.813 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 85' ' ' LEU . . . . . . . . . . . . . 48.4 tp -55.73 -50.5 70.18 Favored 'General case' 0 CA--C 1.535 0.367 0 C-N-CA 127.145 2.178 . . . . 10.0 112.54 179.94 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 86' ' ' TRP . . . . . . . . . . . . . 56.0 m95 -60.73 -43.52 97.8 Favored 'General case' 0 N--CA 1.466 0.352 0 N-CA-C 113.567 0.951 . . . . 10.0 113.567 175.944 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 87' ' ' ARG . . . . . . . . . . . . . 13.8 tpt180 -56.29 -48.52 76.47 Favored 'General case' 0 N--CA 1.473 0.715 0 CA-C-N 118.897 0.771 . . . . 10.0 111.384 170.807 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 88' ' ' LEU . . . . . . . . . . . . . 1.7 tt -56.72 -53.0 62.78 Favored 'General case' 0 CA--C 1.544 0.743 0 C-N-CA 124.474 1.11 . . . . 10.0 111.846 176.142 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 89' ' ' ILE . . . . . . . . . . . . . 76.8 mt -50.66 -52.73 15.47 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.75 0 C-N-CA 124.846 1.258 . . . . 10.0 110.795 174.343 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 61.9 mtpt -57.19 -44.62 83.79 Favored 'General case' 0 N--CA 1.472 0.658 0 C-N-CA 124.379 1.072 . . . . 10.0 113.02 174.978 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 6.2 tp10 -55.62 -48.6 74.66 Favored 'General case' 0 CA--C 1.547 0.839 0 C-N-CA 125.062 1.345 . . . . 10.0 112.139 174.403 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 92' ' ' ILE . . . . . . . . . . . . . 96.1 mt -58.37 -54.01 38.58 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.863 0 C-N-CA 125.062 1.345 . . . . 10.0 111.118 172.077 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 93' ' ' CYS . . . . . . . . . . . . . 96.3 m -55.53 -43.08 75.42 Favored 'General case' 0 CA--C 1.546 0.803 0 C-N-CA 123.929 0.892 . . . . 10.0 112.655 178.41 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 67.5 m -58.58 -34.87 71.57 Favored 'General case' 0 N--CA 1.477 0.893 0 C-N-CA 126.326 1.85 . . . . 10.0 113.732 176.822 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . -67.91 -27.64 66.82 Favored 'General case' 0 CA--C 1.547 0.853 0 C-N-CA 124.437 1.095 . . . . 10.0 113.868 177.828 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 96' ' ' LYS . . . . . . . . . . . . . 42.1 mttm -63.85 127.62 32.17 Favored 'General case' 0 N--CA 1.477 0.915 0 C-N-CA 125.364 1.466 . . . . 10.0 112.252 -174.71 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 97' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -131.49 148.2 52.61 Favored 'General case' 0 CA--C 1.537 0.478 0 C-N-CA 126.249 1.82 . . . . 10.0 114.409 -172.035 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 98' ' ' CYS . . . . . . . . . . . . . 56.0 m -109.45 137.86 46.68 Favored 'General case' 0 CA--C 1.538 0.504 0 C-N-CA 124.958 1.303 . . . . 10.0 111.821 177.828 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 99' ' ' ASP . . . . . . . . . . . . . 31.4 t70 -60.72 -41.58 95.56 Favored 'General case' 0 N--CA 1.474 0.735 0 C-N-CA 124.556 1.142 . . . . 10.0 112.989 179.643 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 100' ' ' PHE . . . . . . . . . . . . . 6.3 p90 -70.49 -12.03 61.31 Favored 'General case' 0 CA--C 1.545 0.758 0 N-CA-C 115.4 1.629 . . . . 10.0 115.4 -178.704 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 101' ' ' TRP . . . . . . . . . . . . . 6.5 m0 . . . . . 0 CA--C 1.541 0.604 0 N-CA-C 115.702 1.741 . . . . 10.0 115.702 -169.755 . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' A' A ' 5' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER . . . . . 0 CA--C 1.546 0.817 0 CA-C-O 122.447 1.118 . . . . 10.0 109.269 . . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 70.7 mtt180 -78.21 154.93 79.77 Favored Pre-proline 0 N--CA 1.477 0.92 0 C-N-CA 126.758 2.023 . . . . 10.0 110.939 -179.555 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 7' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_exo -51.38 121.11 7.86 Favored 'Trans proline' 0 CA--C 1.541 0.832 0 C-N-CA 122.4 2.067 . . . . 10.0 110.215 169.092 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . 111.92 -16.83 25.37 Favored Glycine 0 CA--C 1.539 1.533 0 C-N-CA 126.464 1.983 . . . . 10.0 114.178 -169.708 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -59.8 134.0 56.62 Favored 'General case' 0 CA--C 1.543 0.701 0 CA-C-N 119.739 1.77 . . . . 10.0 113.492 -172.37 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 10' ' ' PHE . . . . . . . . . . . . . 14.2 m-30 -58.79 144.68 43.24 Favored 'General case' 0 CA--C 1.539 0.556 0 C-N-CA 125.279 1.431 . . . . 10.0 112.506 172.464 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 50.0 mt -123.39 111.42 29.33 Favored 'Isoleucine or valine' 0 C--O 1.237 0.424 0 N-CA-C 106.859 -1.534 . . . . 10.0 106.859 169.445 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 81.4 mttt -104.92 84.97 2.21 Favored 'General case' 0 N--CA 1.471 0.625 0 C-N-CA 125.713 1.605 . . . . 10.0 109.501 178.947 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 36.0 mt-30 -75.04 -40.13 60.58 Favored 'General case' 0 CA--C 1.539 0.532 0 C-N-CA 124.736 1.215 . . . . 10.0 110.365 171.642 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . 101.16 65.73 0.79 Allowed Glycine 0 CA--C 1.528 0.862 0 C-N-CA 125.917 1.723 . . . . 10.0 110.675 -179.578 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 19.9 ttp85 -133.51 111.94 11.11 Favored 'General case' 0 N--CA 1.469 0.504 0 C-N-CA 126.637 1.975 . . . . 10.0 110.533 -169.738 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 80.4 tttt -73.11 104.31 4.14 Favored 'General case' 0 N--CA 1.473 0.687 0 C-N-CA 125.849 1.659 . . . . 10.0 110.752 179.865 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 79.2 mt -77.35 177.27 8.08 Favored 'General case' 0 CA--C 1.546 0.81 0 C-N-CA 125.208 1.403 . . . . 10.0 112.3 179.676 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 19.2 t0 -128.18 100.12 5.72 Favored 'General case' 0 CA--C 1.541 0.634 0 C-N-CA 125.855 1.662 . . . . 10.0 110.241 176.049 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . 87.3 mt -137.27 129.71 42.94 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.709 0 C-N-CA 126.968 2.107 . . . . 10.0 108.346 -173.357 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 24.3 t0 -89.46 83.67 6.37 Favored 'General case' 0 CA--C 1.54 0.571 0 CA-C-O 122.001 0.905 . . . . 10.0 111.017 172.952 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 21' ' ' PHE . . . . . . . . . . . . . 81.6 m-85 -62.96 -45.36 92.81 Favored 'General case' 0 CA--C 1.539 0.549 0 C-N-CA 126.996 2.118 . . . . 10.0 111.466 169.901 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 137.05 157.34 7.61 Favored Glycine 0 CA--C 1.534 1.249 0 C-N-CA 128.24 2.829 . . . . 10.0 110.008 -169.629 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -41.03 -54.03 2.88 Favored 'General case' 0 CA--C 1.547 0.832 0 N-CA-C 116.3 1.963 . . . . 10.0 116.3 -169.531 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 5.3 tp10 -69.35 -47.98 62.72 Favored 'General case' 0 CA--C 1.544 0.72 0 C-N-CA 124.125 0.97 . . . . 10.0 112.282 179.299 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -62.16 -38.22 95.81 Favored Glycine 0 CA--C 1.534 1.252 0 C-N-CA 124.722 1.154 . . . . 10.0 113.852 178.209 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 79.5 m-20 -56.43 -52.49 64.48 Favored 'General case' 0 CA--C 1.534 0.338 0 C-N-CA 126.096 1.758 . . . . 10.0 110.181 173.027 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 75.7 mtt85 -59.24 -47.27 85.99 Favored 'General case' 0 N--CA 1.476 0.837 0 C-N-CA 124.512 1.125 . . . . 10.0 111.485 176.415 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 28' ' ' TYR . . . . . . . . . . . . . 77.0 t80 -58.55 -53.38 58.94 Favored 'General case' 0 CA--C 1.537 0.468 0 C-N-CA 124.349 1.06 . . . . 10.0 112.508 179.018 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 29' ' ' TYR . . . . . . . . . . . . . 82.7 t80 -57.28 -52.27 66.02 Favored 'General case' 0 CA--C 1.537 0.45 0 C-N-CA 123.764 0.826 . . . . 10.0 111.848 174.293 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -52.77 -37.25 59.31 Favored 'General case' 0 CA--C 1.545 0.774 0 N-CA-C 113.557 0.947 . . . . 10.0 113.557 179.328 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -80.16 -31.13 38.94 Favored 'General case' 0 CA--C 1.55 0.968 0 N-CA-C 114.962 1.468 . . . . 10.0 114.962 175.111 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 32' ' ' ASN . . . . . . . . . . . . . 48.7 m-80 -125.42 16.61 8.27 Favored 'General case' 0 CA--C 1.548 0.896 0 N-CA-C 116.488 2.032 . . . . 10.0 116.488 -169.059 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 33' ' ' TYR . . . . . . . . . . . . . 51.6 p90 -50.36 -32.12 16.53 Favored 'General case' 0 N--CA 1.476 0.856 0 C-N-CA 126.093 1.757 . . . . 10.0 114.639 -176.444 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 34' ' ' TRP . . . . . . . . . . . . . 65.7 p-90 -51.51 -33.97 33.97 Favored 'General case' 0 CA--C 1.545 0.768 0 C-N-CA 126.375 1.87 . . . . 10.0 114.219 174.844 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 31.6 mt-30 -65.62 -45.26 83.77 Favored 'General case' 0 N--CA 1.472 0.645 0 C-N-CA 124.45 1.1 . . . . 10.0 112.645 175.793 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 36' ' ' PHE . . . . . . . . . . . . . 56.0 m-85 -72.77 153.91 91.27 Favored Pre-proline 0 CA--C 1.544 0.718 0 C-N-CA 126.775 2.03 . . . . 10.0 112.922 -171.868 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 93.9 Cg_endo -72.37 157.49 53.18 Favored 'Trans proline' 0 CA--C 1.541 0.87 0 C-N-CA 122.209 1.939 . . . . 10.0 109.107 168.485 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 3.8 p30 -118.16 -25.43 6.65 Favored 'General case' 0 N--CA 1.474 0.757 0 O-C-N 121.199 -0.938 . . . . 10.0 111.911 171.016 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . -119.42 160.28 14.41 Favored Glycine 0 CA--C 1.536 1.389 0 C-N-CA 125.633 1.587 . . . . 10.0 110.096 168.42 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 40' ' ' ILE . . . . . . . . . . . . . 91.1 mt -134.75 122.98 40.32 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.756 0 C-N-CA 124.356 1.062 . . . . 10.0 108.512 172.76 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 41' ' ' TYR . . . . . . . . . . . . . 91.5 t80 -73.83 102.01 3.92 Favored 'General case' 0 CA--C 1.536 0.424 0 C-N-CA 124.975 1.31 . . . . 10.0 109.913 174.111 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 42' ' ' TYR . . . . . . . . . . . . . 85.7 t80 -153.18 137.74 16.83 Favored 'General case' 0 CA--C 1.538 0.494 0 C-N-CA 124.085 0.954 . . . . 10.0 111.056 177.688 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 46.1 mt-10 -132.53 64.17 1.61 Allowed 'General case' 0 N--CA 1.474 0.759 0 C-N-CA 125.397 1.479 . . . . 10.0 110.944 -173.528 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . -67.2 -52.33 32.64 Favored Glycine 0 CA--C 1.533 1.172 0 C-N-CA 125.157 1.36 . . . . 10.0 113.934 -178.558 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 45' ' ' CYS . . . . . . . . . . . . . 28.5 m -60.54 135.67 57.82 Favored 'General case' 0 CA--C 1.541 0.597 0 C-N-CA 125.323 1.449 . . . . 10.0 114.015 -175.139 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 25.8 t -148.02 -51.4 0.18 Allowed 'General case' 0 N--CA 1.472 0.629 0 C-N-CA 126.557 1.943 . . . . 10.0 110.961 178.291 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 10.5 pt-20 -139.6 163.04 33.62 Favored 'General case' 0 CA--C 1.542 0.637 0 C-N-CA 126.425 1.89 . . . . 10.0 111.971 179.032 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -51.38 -28.46 12.64 Favored 'General case' 0 CA--C 1.547 0.832 0 C-N-CA 126.498 1.919 . . . . 10.0 115.813 -174.237 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 69.8 m-80 -60.14 -28.52 67.95 Favored 'General case' 0 CA--C 1.545 0.785 0 C-N-CA 124.599 1.16 . . . . 10.0 113.281 173.896 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . 46.4 t -78.14 91.96 1.29 Allowed 'Isoleucine or valine' 0 N--CA 1.472 0.638 0 C-N-CA 124.521 1.128 . . . . 10.0 108.863 169.811 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 67.8 p -78.63 -179.99 6.78 Favored 'General case' 0 N--CA 1.476 0.838 0 C-N-CA 125.593 1.557 . . . . 10.0 112.064 175.293 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 86.0 tttt -59.95 -55.79 29.73 Favored 'General case' 0 N--CA 1.473 0.676 0 O-C-N 121.122 -0.986 . . . . 10.0 111.733 169.982 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 12.3 pt-20 -53.38 -38.88 63.78 Favored 'General case' 0 N--CA 1.474 0.768 0 CA-C-N 118.72 0.691 . . . . 10.0 112.705 178.868 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 54' ' ' MET . . . . . . . . . . . . . 85.3 mmm -59.23 -58.01 10.5 Favored 'General case' 0 CA--C 1.538 0.484 0 C-N-CA 124.099 0.96 . . . . 10.0 111.573 169.506 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 6.9 tt -54.48 -56.7 16.07 Favored 'General case' 0 CA--C 1.536 0.441 0 C-N-CA 124.499 1.12 . . . . 10.0 113.049 -178.955 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 22.5 t -60.21 -51.0 78.0 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.902 0 C-N-CA 123.743 0.817 . . . . 10.0 110.555 -173.911 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 57' ' ' THR . . . . . . . . . . . . . 28.5 m -60.85 -51.72 68.1 Favored 'General case' 0 N--CA 1.475 0.816 0 C-N-CA 124.346 1.058 . . . . 10.0 111.791 179.205 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 8.3 t -61.16 -40.78 95.16 Favored 'General case' 0 N--CA 1.47 0.53 0 C-N-CA 123.672 0.789 . . . . 10.0 112.23 178.638 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 59' ' ' CYS . . . . . . . . . . . . . 21.1 t -55.73 -53.6 54.63 Favored 'General case' 0 CA--C 1.534 0.337 0 C-N-CA 124.615 1.166 . . . . 10.0 112.85 169.955 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 60' ' ' VAL . . . . . . . . . . . . . 39.6 t -55.94 -39.72 58.84 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.852 0 C-N-CA 124.394 1.078 . . . . 10.0 111.811 177.266 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 61' ' ' ASN . . . . . . . . . . . . . 17.4 m-80 -63.85 -49.42 72.85 Favored 'General case' 0 CA--C 1.545 0.771 0 C-N-CA 124.766 1.226 . . . . 10.0 113.096 170.479 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -60.08 -42.37 94.43 Favored 'General case' 0 CA--C 1.543 0.689 0 C-N-CA 124.927 1.291 . . . . 10.0 112.106 178.039 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 63' ' ' THR . . . . . . . . . . . . . 61.3 m -54.86 -48.53 72.79 Favored 'General case' 0 N--CA 1.471 0.594 0 C-N-CA 126.349 1.86 . . . . 10.0 111.732 176.176 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 64' ' ' GLN . . . . . . . . . . . . . 48.8 mt-30 -51.43 -56.57 12.53 Favored 'General case' 0 N--CA 1.47 0.57 0 C-N-CA 124.278 1.031 . . . . 10.0 111.728 173.089 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -58.03 -42.31 85.02 Favored 'General case' 0 CA--C 1.545 0.775 0 C-N-CA 125.785 1.634 . . . . 10.0 113.994 -179.961 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -72.2 -36.79 69.3 Favored 'General case' 0 CA--C 1.545 0.767 0 N-CA-C 114.178 1.177 . . . . 10.0 114.178 -179.654 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 67' ' ' ASN . . . . . . . . . . . . . 8.5 m-80 -117.92 39.07 3.46 Favored 'General case' 0 N--CA 1.475 0.814 0 C-N-CA 124.324 1.05 . . . . 10.0 112.607 -170.689 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 68' ' ' GLN . . . . . . . . . . . . . 63.5 mt-30 -51.52 -46.53 63.3 Favored 'General case' 0 N--CA 1.474 0.775 0 C-N-CA 125.803 1.641 . . . . 10.0 113.141 -177.705 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -54.56 -52.13 63.07 Favored 'General case' 0 CA--C 1.541 0.618 0 C-N-CA 125.036 1.334 . . . . 10.0 112.636 177.996 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 9.9 mm-40 -56.65 -48.41 77.63 Favored 'General case' 0 N--CA 1.472 0.653 0 C-N-CA 124.714 1.206 . . . . 10.0 112.433 -179.837 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 71' ' ' PHE . . . . . . . . . . . . . 34.2 m-85 -61.45 -49.59 76.21 Favored 'General case' 0 CA--C 1.537 0.446 0 C-N-CA 122.898 0.479 . . . . 10.0 112.019 174.247 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 58.9 m -55.36 -47.66 75.42 Favored 'General case' 0 N--CA 1.475 0.797 0 C-N-CA 124.927 1.291 . . . . 10.0 113.213 178.463 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 73' ' ' ARG . . . . . . . . . . . . . 90.7 mtt180 -51.45 -51.86 51.27 Favored 'General case' 0 N--CA 1.477 0.884 0 C-N-CA 126.293 1.837 . . . . 10.0 112.314 176.106 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 46.6 mm-40 -81.04 -62.03 1.78 Allowed 'General case' 0 CA--C 1.54 0.579 0 C-N-CA 124.674 1.19 . . . . 10.0 113.159 -175.2 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 41.4 ttmt -46.35 -40.27 11.64 Favored 'General case' 0 N--CA 1.481 1.079 0 C-N-CA 128.19 2.596 . . . . 10.0 114.96 -170.906 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 76' ' ' GLN . . . . . . . . . . . . . 22.0 mm100 -60.44 -19.36 56.11 Favored 'General case' 0 CA--C 1.546 0.811 0 C-N-CA 124.906 1.282 . . . . 10.0 114.422 179.905 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 31.7 t70 -128.62 -48.31 1.27 Allowed 'General case' 0 N--CA 1.473 0.696 0 C-N-CA 125.683 1.593 . . . . 10.0 112.829 178.752 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 4.4 t -66.6 129.95 41.57 Favored 'General case' 0 CA--C 1.536 0.414 0 C-N-CA 125.719 1.608 . . . . 10.0 113.673 -175.089 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 60.3 tptt -88.65 -62.38 1.5 Allowed 'General case' 0 N--CA 1.474 0.748 0 C-N-CA 125.4 1.48 . . . . 10.0 111.739 173.66 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 49.2 tp -70.84 -44.61 66.11 Favored 'General case' 0 N--CA 1.469 0.496 0 C-N-CA 124.977 1.311 . . . . 10.0 113.404 -174.094 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 81' ' ' HIS . . . . . . . . . . . . . 14.1 t-160 -51.0 -50.62 58.11 Favored 'General case' 0 N--CA 1.475 0.81 0 CA-C-N 119.201 0.909 . . . . 10.0 112.323 -170.604 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 82' ' ' GLN . . . . . . . . . . . . . 92.2 mm-40 -52.61 -48.56 66.24 Favored 'General case' 0 N--CA 1.471 0.6 0 C-N-CA 123.895 0.878 . . . . 10.0 112.85 177.977 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 83' ' ' ARG . . . . . . . . . . . . . 14.2 mmp_? -51.97 -54.73 26.2 Favored 'General case' 0 N--CA 1.481 1.081 0 C-N-CA 124.796 1.238 . . . . 10.0 111.357 178.507 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 84' ' ' VAL . . . . . . . . . . . . . 21.4 t -62.31 -51.44 72.27 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.684 0 C-N-CA 126.482 1.913 . . . . 10.0 110.82 178.345 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 85' ' ' LEU . . . . . . . . . . . . . 50.4 tp -56.82 -46.72 81.48 Favored 'General case' 0 N--CA 1.468 0.463 0 C-N-CA 126.869 2.068 . . . . 10.0 112.919 -179.231 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 86' ' ' TRP . . . . . . . . . . . . . 73.2 m95 -64.93 -43.0 94.21 Favored 'General case' 0 N--CA 1.466 0.337 0 N-CA-C 113.48 0.918 . . . . 10.0 113.48 175.824 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 87' ' ' ARG . . . . . . . . . . . . . 13.6 tpt180 -55.99 -51.97 65.87 Favored 'General case' 0 N--CA 1.474 0.733 0 CA-C-O 118.663 -0.684 . . . . 10.0 110.99 169.832 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 88' ' ' LEU . . . . . . . . . . . . . 1.7 tm? -51.5 -54.49 26.61 Favored 'General case' 0 CA--C 1.544 0.74 0 C-N-CA 126.476 1.911 . . . . 10.0 112.143 175.125 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 89' ' ' ILE . . . . . . . . . . . . . 64.2 mt -53.89 -52.22 37.72 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.841 0 C-N-CA 124.71 1.204 . . . . 10.0 111.16 176.693 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 39.9 ttmt -60.89 -44.45 97.1 Favored 'General case' 0 N--CA 1.469 0.522 0 C-N-CA 123.865 0.866 . . . . 10.0 112.411 177.382 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 8.1 tp10 -54.17 -50.37 67.15 Favored 'General case' 0 CA--C 1.541 0.62 0 C-N-CA 125.269 1.428 . . . . 10.0 111.576 175.112 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 92' ' ' ILE . . . . . . . . . . . . . 96.7 mt -53.35 -58.22 3.5 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.905 0 C-N-CA 124.145 0.978 . . . . 10.0 110.904 171.604 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 93' ' ' CYS . . . . . . . . . . . . 0.307 0.5 OUTLIER -69.39 -28.11 65.89 Favored 'General case' 0 CA--C 1.546 0.823 0 N-CA-C 114.109 1.152 . . . . 10.0 114.109 -172.72 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 23.8 t -68.13 -40.94 82.34 Favored 'General case' 0 N--CA 1.474 0.73 0 C-N-CA 125.897 1.679 . . . . 10.0 112.405 169.368 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . -60.09 -51.36 69.94 Favored 'General case' 0 CA--C 1.542 0.645 0 C-N-CA 124.483 1.113 . . . . 10.0 113.037 179.705 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 96' ' ' LYS . . . . . . . . . . . . . 18.9 ptpt -58.58 137.91 57.18 Favored 'General case' 0 N--CA 1.48 1.052 0 O-C-N 121.449 -0.782 . . . . 10.0 112.64 177.025 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 97' ' ' HIS . . . . . . . . . . . . . 17.7 m80 -130.98 166.65 20.51 Favored 'General case' 0 N--CA 1.478 0.954 0 C-N-CA 126.775 2.03 . . . . 10.0 112.266 -177.566 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 98' ' ' CYS . . . . . . . . . . . . . 50.6 m -126.7 134.25 50.73 Favored 'General case' 0 CA--C 1.539 0.533 0 C-N-CA 125.662 1.585 . . . . 10.0 111.678 -178.016 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 99' ' ' ASP . . . . . . . . . . . . . 11.9 m-20 -57.05 -40.19 76.33 Favored 'General case' 0 N--CA 1.472 0.673 0 C-N-CA 125.524 1.53 . . . . 10.0 113.836 -172.015 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 100' ' ' PHE . . . . . . . . . . . . . 9.7 p90 -72.0 -4.73 30.31 Favored 'General case' 0 CA--C 1.545 0.761 0 N-CA-C 115.038 1.496 . . . . 10.0 115.038 -178.041 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 101' ' ' TRP . . . . . . . . . . . . . 53.2 m0 . . . . . 0 N--CA 1.475 0.789 0 CA-C-N 120.183 1.356 . . . . 10.0 112.308 175.538 . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' A' A ' 5' ' ' ASN . . . . . . . . . . . . . 1.3 t30 . . . . . 0 CA--C 1.55 0.972 0 CA-C-O 121.66 0.743 . . . . 10.0 112.593 . . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 9.6 ptp180 -121.91 151.64 58.22 Favored Pre-proline 0 N--CA 1.478 0.933 0 C-N-CA 127.921 2.488 . . . . 10.0 110.77 172.772 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 7' ' ' PRO . . . . . . . . . . . . . 80.8 Cg_exo -47.4 114.53 1.05 Allowed 'Trans proline' 0 CA--C 1.541 0.85 0 C-N-CA 123.761 2.974 . . . . 10.0 113.868 -175.066 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . 114.6 -18.64 17.23 Favored Glycine 0 CA--C 1.539 1.537 0 C-N-CA 127.132 2.301 . . . . 10.0 114.42 -171.957 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -57.34 132.87 54.38 Favored 'General case' 0 CA--C 1.543 0.674 0 N-CA-C 115.495 1.665 . . . . 10.0 115.495 -169.603 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 10' ' ' PHE . . . . . . . . . . . . . 7.4 m-30 -58.38 134.19 56.4 Favored 'General case' 0 CA--C 1.541 0.615 0 C-N-CA 126.246 1.819 . . . . 10.0 112.489 170.216 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 61.7 mt -116.06 99.07 7.64 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.508 0 N-CA-C 106.741 -1.577 . . . . 10.0 106.741 169.618 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 53.8 mtmt -101.77 73.52 1.43 Allowed 'General case' 0 N--CA 1.472 0.652 0 C-N-CA 126.857 2.063 . . . . 10.0 110.074 -176.413 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 86.6 mm-40 -71.39 -45.32 63.08 Favored 'General case' 0 CA--C 1.54 0.559 0 C-N-CA 124.081 0.953 . . . . 10.0 110.395 170.643 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . 105.51 70.12 0.77 Allowed Glycine 0 CA--C 1.53 0.978 0 C-N-CA 126.024 1.773 . . . . 10.0 111.309 178.759 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 10.3 ttp180 -137.03 117.96 14.22 Favored 'General case' 0 N--CA 1.472 0.665 0 C-N-CA 126.97 2.108 . . . . 10.0 110.436 -169.819 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 44.8 tttm -69.66 139.53 53.53 Favored 'General case' 0 N--CA 1.474 0.731 0 C-N-CA 124.439 1.096 . . . . 10.0 111.769 179.609 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 61.2 mt -111.96 -179.74 3.77 Favored 'General case' 0 CA--C 1.546 0.798 0 C-N-CA 127.769 2.428 . . . . 10.0 111.651 174.506 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 20.9 t70 -126.13 99.61 5.97 Favored 'General case' 0 CA--C 1.542 0.646 0 C-N-CA 125.533 1.533 . . . . 10.0 110.569 175.065 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . 69.5 mt -136.3 130.86 48.15 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.727 0 C-N-CA 127.415 2.286 . . . . 10.0 108.143 -175.731 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 23.9 t0 -89.83 85.02 6.29 Favored 'General case' 0 N--CA 1.47 0.535 0 CA-C-O 122.075 0.94 . . . . 10.0 110.921 172.305 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 21' ' ' PHE . . . . . . . . . . . . . 82.8 m-85 -63.81 -44.36 93.53 Favored 'General case' 0 CA--C 1.54 0.561 0 C-N-CA 126.935 2.094 . . . . 10.0 111.73 170.335 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 133.52 160.46 9.4 Favored Glycine 0 CA--C 1.533 1.202 0 C-N-CA 127.989 2.709 . . . . 10.0 109.963 -169.517 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -42.15 -56.31 2.92 Favored 'General case' 0 CA--C 1.547 0.83 0 N-CA-C 115.432 1.642 . . . . 10.0 115.432 -169.727 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 26.0 mm-40 -63.89 -49.56 72.21 Favored 'General case' 0 N--CA 1.472 0.664 0 C-N-CA 124.185 0.994 . . . . 10.0 112.132 178.811 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -64.67 -38.04 95.15 Favored Glycine 0 CA--C 1.533 1.159 0 C-N-CA 124.621 1.105 . . . . 10.0 114.143 -178.967 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 84.2 m-20 -57.27 -53.72 54.93 Favored 'General case' 0 CA--C 1.533 0.32 0 C-N-CA 126.048 1.739 . . . . 10.0 110.145 173.86 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 94.2 mtt-85 -58.32 -47.68 82.94 Favored 'General case' 0 N--CA 1.474 0.745 0 C-N-CA 124.949 1.3 . . . . 10.0 111.458 175.861 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 28' ' ' TYR . . . . . . . . . . . . . 78.1 t80 -58.47 -54.63 44.83 Favored 'General case' 0 CA--C 1.536 0.44 0 C-N-CA 124.364 1.066 . . . . 10.0 112.363 178.89 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 29' ' ' TYR . . . . . . . . . . . . . 86.7 t80 -57.26 -50.63 72.28 Favored 'General case' 0 CA--C 1.538 0.489 0 C-N-CA 124.3 1.04 . . . . 10.0 112.221 176.047 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -52.07 -38.77 58.28 Favored 'General case' 0 CA--C 1.546 0.801 0 N-CA-C 113.461 0.911 . . . . 10.0 113.461 177.238 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -81.76 -25.78 35.03 Favored 'General case' 0 CA--C 1.55 0.949 0 N-CA-C 115.063 1.505 . . . . 10.0 115.063 176.107 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 32' ' ' ASN . . . . . . . . . . . . . 57.7 m-80 -126.65 11.47 7.3 Favored 'General case' 0 CA--C 1.548 0.866 0 N-CA-C 116.8 2.148 . . . . 10.0 116.8 -169.081 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 33' ' ' TYR . . . . . . . . . . . . . 41.6 p90 -51.04 -29.06 11.65 Favored 'General case' 0 N--CA 1.478 0.956 0 C-N-CA 125.285 1.434 . . . . 10.0 114.724 -177.62 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 34' ' ' TRP . . . . . . . . . . . . . 64.1 p-90 -52.37 -29.8 25.77 Favored 'General case' 0 CA--C 1.544 0.722 0 C-N-CA 126.109 1.763 . . . . 10.0 114.477 173.4 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 30.7 mt-30 -74.12 -39.78 63.12 Favored 'General case' 0 N--CA 1.473 0.695 0 C-N-CA 124.646 1.179 . . . . 10.0 113.351 174.681 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 36' ' ' PHE . . . . . . . . . . . . . 58.2 m-85 -70.83 149.66 95.11 Favored Pre-proline 0 CA--C 1.545 0.766 0 C-N-CA 125.687 1.595 . . . . 10.0 113.615 -169.552 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 84.2 Cg_endo -73.51 100.18 1.22 Allowed 'Trans proline' 0 CA--C 1.535 0.556 0 C-N-CA 123.772 2.981 . . . . 10.0 110.35 170.233 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 4.5 p30 -68.41 -20.02 64.63 Favored 'General case' 0 CA--C 1.545 0.778 0 O-C-N 121.02 -1.05 . . . . 10.0 112.955 177.391 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . -129.71 161.02 22.89 Favored Glycine 0 CA--C 1.535 1.302 0 C-N-CA 125.945 1.736 . . . . 10.0 110.764 169.045 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 40' ' ' ILE . . . . . . . . . . . . . 79.3 mt -136.95 122.72 27.13 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.8 0 C-N-CA 124.139 0.976 . . . . 10.0 109.333 174.328 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 41' ' ' TYR . . . . . . . . . . . . . 82.6 t80 -72.82 100.43 2.88 Favored 'General case' 0 CA--C 1.537 0.471 0 C-N-CA 124.365 1.066 . . . . 10.0 110.129 172.242 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 42' ' ' TYR . . . . . . . . . . . . . 83.2 t80 -156.29 136.59 12.99 Favored 'General case' 0 N--CA 1.467 0.406 0 C-N-CA 124.481 1.112 . . . . 10.0 110.888 172.84 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 43.9 mt-10 -134.5 77.91 1.72 Allowed 'General case' 0 CA--C 1.54 0.581 0 C-N-CA 126.095 1.758 . . . . 10.0 110.302 -175.497 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . -72.44 -28.59 67.45 Favored Glycine 0 CA--C 1.536 1.375 0 C-N-CA 124.902 1.239 . . . . 10.0 114.772 -176.592 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 45' ' ' CYS . . . . . . . . . . . . . 63.2 m -53.45 116.37 2.42 Favored 'General case' 0 CA--C 1.543 0.692 0 C-N-CA 126.437 1.895 . . . . 10.0 113.39 -175.015 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 51.4 m -132.26 -61.9 0.85 Allowed 'General case' 0 N--CA 1.475 0.781 0 C-N-CA 125.801 1.64 . . . . 10.0 111.788 -179.418 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 10.6 pt-20 -152.6 164.77 37.02 Favored 'General case' 0 N--CA 1.473 0.689 0 C-N-CA 126.328 1.851 . . . . 10.0 111.462 -179.36 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -51.66 -29.96 19.96 Favored 'General case' 0 CA--C 1.547 0.856 0 N-CA-C 115.67 1.73 . . . . 10.0 115.67 -175.781 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 70.6 m-20 -59.21 -30.74 68.45 Favored 'General case' 0 CA--C 1.546 0.795 0 C-N-CA 124.398 1.079 . . . . 10.0 113.059 173.594 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . 61.1 t -75.91 91.6 0.87 Allowed 'Isoleucine or valine' 0 N--CA 1.472 0.653 0 N-CA-C 107.886 -1.153 . . . . 10.0 107.886 169.423 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 69.4 p -72.29 177.86 4.27 Favored 'General case' 0 N--CA 1.474 0.756 0 C-N-CA 125.087 1.355 . . . . 10.0 111.956 173.897 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 60.4 tttm -59.29 -52.98 63.32 Favored 'General case' 0 N--CA 1.472 0.665 0 O-C-N 121.161 -0.962 . . . . 10.0 111.15 169.568 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 45.0 mt-10 -51.24 -47.11 62.48 Favored 'General case' 0 N--CA 1.474 0.771 0 C-N-CA 124.117 0.967 . . . . 10.0 112.258 176.677 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 54' ' ' MET . . . . . . . . . . . . . 87.4 mmm -54.97 -55.02 35.37 Favored 'General case' 0 N--CA 1.468 0.431 0 C-N-CA 124.239 1.015 . . . . 10.0 112.391 170.522 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 8.6 tt -58.92 -51.55 69.58 Favored 'General case' 0 CA--C 1.534 0.346 0 C-N-CA 123.73 0.812 . . . . 10.0 112.913 -178.202 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 21.8 t -57.71 -48.31 83.76 Favored 'Isoleucine or valine' 0 N--CA 1.479 0.994 0 CA-C-N 119.62 1.1 . . . . 10.0 110.897 -179.486 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 57' ' ' THR . . . . . . . . . . . . . 56.7 m -57.93 -51.23 70.49 Favored 'General case' 0 N--CA 1.476 0.855 0 C-N-CA 124.38 1.072 . . . . 10.0 111.763 175.097 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 45.0 m -60.62 -40.79 93.2 Favored 'General case' 0 N--CA 1.472 0.673 0 C-N-CA 124.573 1.149 . . . . 10.0 112.421 178.612 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 59' ' ' CYS . . . . . . . . . . . . . 40.9 t -59.22 -50.43 74.06 Favored 'General case' 0 CA--C 1.534 0.359 0 C-N-CA 126.201 1.8 . . . . 10.0 112.362 173.501 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 60' ' ' VAL . . . . . . . . . . . . . 43.1 t -54.59 -48.25 71.13 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.966 0 C-N-CA 124.153 0.981 . . . . 10.0 111.523 172.224 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 61' ' ' ASN . . . . . . . . . . . . . 16.7 m-80 -58.98 -46.49 87.99 Favored 'General case' 0 CA--C 1.546 0.79 0 C-N-CA 124.652 1.181 . . . . 10.0 113.176 175.069 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -60.43 -47.01 87.97 Favored 'General case' 0 CA--C 1.539 0.526 0 C-N-CA 124.238 1.015 . . . . 10.0 111.26 174.84 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 63' ' ' THR . . . . . . . . . . . . . 38.4 m -55.56 -47.81 75.78 Favored 'General case' 0 N--CA 1.471 0.598 0 C-N-CA 125.676 1.59 . . . . 10.0 111.709 177.002 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 64' ' ' GLN . . . . . . . . . . . . . 62.9 mt-30 -49.84 -59.63 3.66 Favored 'General case' 0 N--CA 1.469 0.513 0 C-N-CA 124.362 1.065 . . . . 10.0 112.052 170.966 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -56.99 -45.79 82.7 Favored 'General case' 0 CA--C 1.544 0.75 0 C-N-CA 125.551 1.54 . . . . 10.0 113.787 -178.799 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -68.35 -35.67 78.09 Favored 'General case' 0 CA--C 1.544 0.722 0 C-N-CA 125.172 1.389 . . . . 10.0 114.257 -179.002 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 67' ' ' ASN . . . . . . . . . . . . . 12.8 m-80 -121.31 39.25 3.88 Favored 'General case' 0 N--CA 1.474 0.746 0 C-N-CA 124.26 1.024 . . . . 10.0 113.074 -169.715 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 68' ' ' GLN . . . . . . . . . . . . . 64.2 mt-30 -52.18 -50.42 61.88 Favored 'General case' 0 N--CA 1.473 0.716 0 C-N-CA 125.248 1.419 . . . . 10.0 112.624 -178.987 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -56.31 -43.32 78.85 Favored 'General case' 0 CA--C 1.544 0.738 0 C-N-CA 125.115 1.366 . . . . 10.0 113.362 178.316 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 23.0 mm-40 -57.34 -51.16 70.49 Favored 'General case' 0 N--CA 1.471 0.603 0 C-N-CA 125.361 1.465 . . . . 10.0 111.735 178.906 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 71' ' ' PHE . . . . . . . . . . . . . 34.5 m-85 -64.19 -49.76 70.76 Favored 'General case' 0 CA--C 1.536 0.436 0 C-N-CA 124.203 1.001 . . . . 10.0 112.219 174.448 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 71.6 m -52.84 -55.11 25.47 Favored 'General case' 0 N--CA 1.472 0.63 0 C-N-CA 125.306 1.442 . . . . 10.0 113.558 -173.413 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 73' ' ' ARG . . . . . . . . . . . . . 31.1 ptt-85 -59.52 -45.58 91.32 Favored 'General case' 0 N--CA 1.479 0.994 0 N-CA-C 113.369 0.877 . . . . 10.0 113.369 -177.135 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 33.8 mm-40 -61.09 -54.05 49.48 Favored 'General case' 0 N--CA 1.469 0.52 0 C-N-CA 124.959 1.304 . . . . 10.0 111.68 176.362 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 86.1 tttt -49.53 -28.72 5.83 Favored 'General case' 0 N--CA 1.477 0.9 0 C-N-CA 127.134 2.174 . . . . 10.0 115.053 -178.178 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 76' ' ' GLN . . . . . . . . . . . . . 70.8 mm-40 -56.44 -33.76 66.18 Favored 'General case' 0 N--CA 1.475 0.816 0 N-CA-C 113.783 1.031 . . . . 10.0 113.783 175.6 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 32.0 t70 -132.93 -40.92 0.93 Allowed 'General case' 0 N--CA 1.474 0.727 0 C-N-CA 125.439 1.495 . . . . 10.0 113.521 -171.439 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 4.9 t -64.25 151.12 44.47 Favored 'General case' 0 CA--C 1.536 0.42 0 C-N-CA 125.453 1.501 . . . . 10.0 113.569 -178.476 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 59.3 mtmt -120.73 -67.69 0.96 Allowed 'General case' 0 N--CA 1.474 0.76 0 C-N-CA 126.138 1.775 . . . . 10.0 110.564 171.209 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 48.5 tp -60.41 -45.37 93.84 Favored 'General case' 0 CA--C 1.537 0.474 0 C-N-CA 125.331 1.453 . . . . 10.0 113.308 -176.561 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 81' ' ' HIS . . . . . . . . . . . . . 14.7 t-160 -51.12 -50.73 58.26 Favored 'General case' 0 N--CA 1.474 0.771 0 CA-C-N 119.168 0.894 . . . . 10.0 111.662 -173.947 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 82' ' ' GLN . . . . . . . . . . . . . 17.9 mm100 -51.52 -50.5 59.87 Favored 'General case' 0 CA--C 1.539 0.545 0 C-N-CA 124.574 1.15 . . . . 10.0 112.609 179.066 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 83' ' ' ARG . . . . . . . . . . . . . 10.4 mpt_? -58.8 -53.87 53.54 Favored 'General case' 0 N--CA 1.48 1.038 0 C-N-CA 124.39 1.076 . . . . 10.0 111.699 179.71 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 84' ' ' VAL . . . . . . . . . . . . . 29.6 t -57.21 -49.78 78.71 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.876 0 C-N-CA 125.2 1.4 . . . . 10.0 110.649 176.981 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 85' ' ' LEU . . . . . . . . . . . . . 45.3 tp -56.75 -47.99 78.83 Favored 'General case' 0 CA--C 1.537 0.468 0 C-N-CA 126.481 1.912 . . . . 10.0 112.646 177.594 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 86' ' ' TRP . . . . . . . . . . . . . 52.5 m95 -61.31 -44.08 97.81 Favored 'General case' 0 N--CA 1.468 0.461 0 N-CA-C 113.787 1.032 . . . . 10.0 113.787 174.919 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 87' ' ' ARG . . . . . . . . . . . . . 14.6 tpt180 -57.18 -51.59 68.7 Favored 'General case' 0 N--CA 1.474 0.768 0 CA-C-N 118.764 0.711 . . . . 10.0 111.565 171.338 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 88' ' ' LEU . . . . . . . . . . . . . 2.3 tm? -51.7 -51.97 51.95 Favored 'General case' 0 CA--C 1.544 0.726 0 C-N-CA 126.299 1.84 . . . . 10.0 111.866 174.906 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 89' ' ' ILE . . . . . . . . . . . . . 65.6 mt -53.34 -53.82 21.68 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.738 0 C-N-CA 124.735 1.214 . . . . 10.0 110.936 172.907 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 36.6 ttpt -57.42 -45.91 84.08 Favored 'General case' 0 N--CA 1.473 0.678 0 C-N-CA 124.426 1.09 . . . . 10.0 113.225 179.762 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 66.8 mm-40 -52.28 -50.79 61.44 Favored 'General case' 0 N--CA 1.472 0.662 0 C-N-CA 124.277 1.031 . . . . 10.0 112.005 172.05 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 92' ' ' ILE . . . . . . . . . . . . . 98.2 mt -60.22 -50.2 81.15 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.96 0 C-N-CA 123.771 0.828 . . . . 10.0 111.71 174.634 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 93' ' ' CYS . . . . . . . . . . . . . 65.1 m -55.71 -39.05 70.53 Favored 'General case' 0 CA--C 1.545 0.762 0 C-N-CA 124.659 1.183 . . . . 10.0 112.603 176.544 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 66.3 m -66.7 -42.09 86.98 Favored 'General case' 0 N--CA 1.475 0.798 0 C-N-CA 125.903 1.681 . . . . 10.0 113.401 171.271 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . -61.27 -47.87 84.01 Favored 'General case' 0 CA--C 1.543 0.691 0 C-N-CA 125.55 1.54 . . . . 10.0 113.357 -176.28 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 96' ' ' LYS . . . . . . . . . . . . . 1.8 ptpm? -60.48 139.49 57.71 Favored 'General case' 0 N--CA 1.48 1.029 0 C-N-CA 123.876 0.87 . . . . 10.0 111.334 171.133 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 97' ' ' HIS . . . . . . . . . . . . . 1.9 m-70 -138.07 165.69 25.96 Favored 'General case' 0 N--CA 1.479 1.024 0 C-N-CA 126.314 1.846 . . . . 10.0 112.364 -172.484 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 98' ' ' CYS . . . . . . . . . . . . . 35.2 m -113.68 137.23 51.9 Favored 'General case' 0 N--CA 1.469 0.496 0 C-N-CA 125.236 1.415 . . . . 10.0 112.041 174.377 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 99' ' ' ASP . . . . . . . . . . . . . 32.5 t70 -61.04 -40.27 92.98 Favored 'General case' 0 CA--C 1.543 0.698 0 C-N-CA 124.999 1.319 . . . . 10.0 113.174 179.664 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 100' ' ' PHE . . . . . . . . . . . . . 8.8 p90 -68.9 -11.93 61.09 Favored 'General case' 0 CA--C 1.544 0.725 0 N-CA-C 115.396 1.628 . . . . 10.0 115.396 -176.418 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 101' ' ' TRP . . . . . . . . . . . . . 38.4 m0 . . . . . 0 N--CA 1.473 0.707 0 CA-C-N 119.881 1.219 . . . . 10.0 112.766 -178.482 . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' A' A ' 5' ' ' ASN . . . . . . . . . . . . . 17.3 t-20 . . . . . 0 CA--C 1.545 0.787 0 CA-C-O 121.877 0.846 . . . . 10.0 109.545 . . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -125.22 159.62 58.77 Favored Pre-proline 0 N--CA 1.477 0.919 0 C-N-CA 127.52 2.328 . . . . 10.0 111.805 178.97 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 7' ' ' PRO . . . . . . . . . . . . . 75.8 Cg_exo -45.01 120.87 3.18 Favored 'Trans proline' 0 CA--C 1.537 0.67 0 C-N-CA 124.015 3.143 . . . . 10.0 113.522 179.162 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . 116.97 -23.49 9.95 Favored Glycine 0 CA--C 1.538 1.512 0 C-N-CA 127.623 2.535 . . . . 10.0 114.122 -170.395 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -60.09 132.59 54.42 Favored 'General case' 0 CA--C 1.546 0.818 0 CA-C-N 119.473 1.637 . . . . 10.0 112.96 -172.27 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 10' ' ' PHE . . . . . . . . . . . . . 23.2 m-85 -61.49 151.45 32.79 Favored 'General case' 0 CA--C 1.542 0.661 0 O-C-N 121.464 -0.773 . . . . 10.0 112.917 175.242 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 70.9 mt -120.52 97.84 5.5 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.492 0 C-N-CA 126.166 1.786 . . . . 10.0 106.304 169.385 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 60.2 mtpt -96.29 84.67 3.79 Favored 'General case' 0 N--CA 1.473 0.709 0 C-N-CA 125.522 1.529 . . . . 10.0 110.542 -172.766 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 26.8 mt-30 -76.65 -26.71 55.15 Favored 'General case' 0 CA--C 1.541 0.601 0 C-N-CA 124.067 0.947 . . . . 10.0 111.652 171.225 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . 80.31 11.58 84.1 Favored Glycine 0 CA--C 1.536 1.399 0 C-N-CA 125.053 1.311 . . . . 10.0 114.16 179.977 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 45.6 ttp180 -69.59 129.85 40.8 Favored 'General case' 0 N--CA 1.47 0.55 0 C-N-CA 127.108 2.163 . . . . 10.0 110.992 177.741 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 53.1 tttm -69.85 120.53 15.73 Favored 'General case' 0 N--CA 1.473 0.678 0 C-N-CA 123.94 0.896 . . . . 10.0 110.64 171.878 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 75.4 mt -90.02 -179.93 5.8 Favored 'General case' 0 CA--C 1.546 0.815 0 C-N-CA 126.425 1.89 . . . . 10.0 111.806 175.478 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 20.2 t0 -132.13 95.33 3.64 Favored 'General case' 0 CA--C 1.541 0.614 0 C-N-CA 125.718 1.607 . . . . 10.0 110.368 175.442 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . 59.3 mt -134.43 132.12 54.85 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.715 0 C-N-CA 127.455 2.302 . . . . 10.0 108.124 -175.06 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 23.6 t0 -89.3 84.45 6.48 Favored 'General case' 0 CA--C 1.539 0.526 0 CA-C-O 121.981 0.896 . . . . 10.0 110.748 172.952 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 21' ' ' PHE . . . . . . . . . . . . . 54.0 m-85 -61.77 -42.64 99.24 Favored 'General case' 0 CA--C 1.541 0.607 0 C-N-CA 126.656 1.982 . . . . 10.0 111.509 171.09 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 132.2 152.37 7.06 Favored Glycine 0 CA--C 1.533 1.166 0 C-N-CA 128.257 2.837 . . . . 10.0 109.61 -169.786 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -41.05 -51.77 3.28 Favored 'General case' 0 CA--C 1.548 0.875 0 N-CA-C 116.071 1.878 . . . . 10.0 116.071 -169.624 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 37.9 tt0 -63.11 -50.3 71.04 Favored 'General case' 0 N--CA 1.475 0.811 0 C-N-CA 125.237 1.415 . . . . 10.0 112.802 176.758 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -66.27 -37.06 92.56 Favored Glycine 0 CA--C 1.535 1.3 0 C-N-CA 124.867 1.223 . . . . 10.0 114.262 178.451 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 83.9 m-20 -56.35 -51.29 68.82 Favored 'General case' 0 CA--C 1.536 0.417 0 C-N-CA 126.045 1.738 . . . . 10.0 110.433 174.58 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 87.5 mtm180 -59.93 -44.96 94.04 Favored 'General case' 0 N--CA 1.474 0.734 0 C-N-CA 125.08 1.352 . . . . 10.0 111.763 176.292 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 28' ' ' TYR . . . . . . . . . . . . . 77.9 t80 -58.88 -53.69 55.57 Favored 'General case' 0 CA--C 1.536 0.43 0 C-N-CA 123.603 0.761 . . . . 10.0 112.346 176.05 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 29' ' ' TYR . . . . . . . . . . . . . 77.4 t80 -56.44 -51.87 66.8 Favored 'General case' 0 CA--C 1.537 0.448 0 C-N-CA 124.13 0.972 . . . . 10.0 112.251 177.145 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -49.61 -36.71 25.12 Favored 'General case' 0 CA--C 1.546 0.81 0 C-N-CA 124.38 1.072 . . . . 10.0 113.866 176.858 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -86.56 -21.97 26.58 Favored 'General case' 0 CA--C 1.552 1.039 0 N-CA-C 115.235 1.568 . . . . 10.0 115.235 177.037 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 32' ' ' ASN . . . . . . . . . . . . . 55.7 m-80 -130.63 11.53 5.27 Favored 'General case' 0 N--CA 1.477 0.903 0 N-CA-C 116.435 2.013 . . . . 10.0 116.435 -169.24 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 33' ' ' TYR . . . . . . . . . . . . . 44.8 p90 -50.4 -31.22 14.29 Favored 'General case' 0 N--CA 1.476 0.855 0 C-N-CA 125.786 1.634 . . . . 10.0 115.194 -175.218 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 34' ' ' TRP . . . . . . . . . . . . . 65.5 p-90 -50.84 -33.85 25.41 Favored 'General case' 0 CA--C 1.545 0.776 0 C-N-CA 126.181 1.793 . . . . 10.0 114.402 175.007 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 32.8 mt-30 -68.89 -35.98 77.51 Favored 'General case' 0 N--CA 1.474 0.759 0 C-N-CA 124.42 1.088 . . . . 10.0 113.667 177.742 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 36' ' ' PHE . . . . . . . . . . . . . 64.5 m-85 -75.44 157.07 84.96 Favored Pre-proline 0 CA--C 1.545 0.766 0 C-N-CA 126.456 1.903 . . . . 10.0 113.872 -169.581 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 59.7 Cg_endo -73.49 160.79 43.77 Favored 'Trans proline' 0 CA--C 1.541 0.848 0 C-N-CA 123.039 2.493 . . . . 10.0 110.95 169.616 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 7.4 t70 -112.54 -36.13 5.33 Favored 'General case' 0 N--CA 1.475 0.782 0 C-N-CA 125.283 1.433 . . . . 10.0 111.061 172.986 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . -130.66 174.25 19.84 Favored Glycine 0 CA--C 1.534 1.239 0 C-N-CA 126.034 1.778 . . . . 10.0 111.621 169.651 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 40' ' ' ILE . . . . . . . . . . . . . 97.3 mt -138.23 126.01 29.34 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.691 0 C-N-CA 125.284 1.434 . . . . 10.0 108.342 175.178 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 41' ' ' TYR . . . . . . . . . . . . . 90.9 t80 -73.48 109.7 7.2 Favored 'General case' 0 CA--C 1.536 0.418 0 C-N-CA 125.275 1.43 . . . . 10.0 109.835 171.409 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 42' ' ' TYR . . . . . . . . . . . . . 49.4 t80 -151.54 149.83 29.65 Favored 'General case' 0 N--CA 1.474 0.733 0 CA-C-N 119.167 0.894 . . . . 10.0 112.385 -179.48 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 51.5 mt-10 -135.29 71.22 1.43 Allowed 'General case' 0 N--CA 1.474 0.741 0 C-N-CA 126.034 1.734 . . . . 10.0 110.81 -175.684 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . -79.51 -57.22 3.17 Favored Glycine 0 CA--C 1.532 1.116 0 C-N-CA 124.847 1.213 . . . . 10.0 113.564 -178.742 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 45' ' ' CYS . . . . . . . . . . . . . 25.0 m -62.52 142.25 58.04 Favored 'General case' 0 CA--C 1.541 0.627 0 C-N-CA 125.48 1.512 . . . . 10.0 114.029 -178.203 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 24.8 t -146.55 -52.52 0.23 Allowed 'General case' 0 N--CA 1.472 0.651 0 C-N-CA 126.273 1.829 . . . . 10.0 111.45 178.915 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 10.8 pt-20 -141.88 162.77 34.65 Favored 'General case' 0 CA--C 1.542 0.659 0 C-N-CA 126.253 1.821 . . . . 10.0 112.106 -179.441 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -52.49 -25.01 9.06 Favored 'General case' 0 CA--C 1.546 0.79 0 C-N-CA 126.503 1.921 . . . . 10.0 116.096 -174.309 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 68.2 m-20 -61.14 -32.13 71.84 Favored 'General case' 0 CA--C 1.546 0.813 0 C-N-CA 124.162 0.985 . . . . 10.0 113.331 172.535 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . 48.0 t -73.02 124.32 29.7 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.861 0 C-N-CA 124.762 1.225 . . . . 10.0 110.166 173.117 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 82.6 p -113.31 176.7 4.91 Favored 'General case' 0 N--CA 1.478 0.966 0 C-N-CA 125.775 1.63 . . . . 10.0 112.254 -177.733 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 84.3 tttt -58.69 -54.66 44.52 Favored 'General case' 0 N--CA 1.473 0.7 0 O-C-N 121.316 -0.865 . . . . 10.0 111.97 173.358 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 12.3 pt-20 -54.13 -37.44 64.36 Favored 'General case' 0 N--CA 1.474 0.742 0 N-CA-C 112.88 0.696 . . . . 10.0 112.88 179.306 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 54' ' ' MET . . . . . . . . . . . . . 93.7 mtp -62.61 -56.72 15.23 Favored 'General case' 0 CA--C 1.538 0.496 0 C-N-CA 123.211 0.605 . . . . 10.0 111.109 169.445 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 8.3 tt -54.98 -52.83 61.88 Favored 'General case' 0 CA--C 1.535 0.38 0 C-N-CA 124.989 1.315 . . . . 10.0 113.367 -177.124 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 43.6 t -59.69 -52.02 65.93 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.965 0 CA-C-N 119.504 1.047 . . . . 10.0 111.523 -173.24 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 57' ' ' THR . . . . . . . . . . . . . 87.8 m -59.67 -48.17 82.73 Favored 'General case' 0 N--CA 1.475 0.779 0 C-N-CA 124.431 1.092 . . . . 10.0 111.936 174.614 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 42.0 m -61.47 -38.86 88.77 Favored 'General case' 0 N--CA 1.474 0.729 0 C-N-CA 123.544 0.737 . . . . 10.0 112.773 178.388 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 59' ' ' CYS . . . . . . . . . . . . . 36.7 t -59.12 -50.07 75.46 Favored 'General case' 0 CA--C 1.535 0.403 0 C-N-CA 126.598 1.959 . . . . 10.0 112.231 172.898 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 60' ' ' VAL . . . . . . . . . . . . . 41.6 t -54.67 -49.52 67.18 Favored 'Isoleucine or valine' 0 N--CA 1.479 1.004 0 C-N-CA 124.013 0.925 . . . . 10.0 111.511 171.663 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 61' ' ' ASN . . . . . . . . . . . . . 16.9 m-80 -58.53 -45.3 89.14 Favored 'General case' 0 CA--C 1.544 0.746 0 C-N-CA 124.513 1.125 . . . . 10.0 113.146 175.795 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -61.69 -45.51 93.68 Favored 'General case' 0 CA--C 1.537 0.477 0 C-N-CA 124.093 0.957 . . . . 10.0 111.537 174.855 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 63' ' ' THR . . . . . . . . . . . . . 31.4 m -55.23 -49.13 72.76 Favored 'General case' 0 N--CA 1.472 0.654 0 C-N-CA 125.362 1.465 . . . . 10.0 111.547 176.112 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 64' ' ' GLN . . . . . . . . . . . . . 77.2 mt-30 -49.92 -59.65 3.66 Favored 'General case' 0 CA--C 1.539 0.529 0 C-N-CA 124.732 1.213 . . . . 10.0 111.836 171.0 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -56.3 -40.28 74.07 Favored 'General case' 0 CA--C 1.546 0.813 0 C-N-CA 125.685 1.594 . . . . 10.0 114.153 -179.707 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -71.59 -43.93 65.37 Favored 'General case' 0 CA--C 1.543 0.677 0 C-N-CA 125.3 1.44 . . . . 10.0 114.222 -179.816 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 67' ' ' ASN . . . . . . . . . . . . . 9.3 m-80 -113.38 39.52 2.59 Favored 'General case' 0 CA--C 1.545 0.781 0 C-N-CA 124.509 1.124 . . . . 10.0 112.288 -169.668 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 68' ' ' GLN . . . . . . . . . . . . . 16.9 mm-40 -51.05 -50.53 58.46 Favored 'General case' 0 N--CA 1.473 0.721 0 C-N-CA 126.224 1.809 . . . . 10.0 113.636 -174.189 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -54.28 -48.52 71.15 Favored 'General case' 0 CA--C 1.542 0.645 0 C-N-CA 124.909 1.284 . . . . 10.0 113.074 -177.792 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 16.4 mm-40 -55.63 -55.15 35.42 Favored 'General case' 0 N--CA 1.471 0.619 0 C-N-CA 124.887 1.275 . . . . 10.0 111.307 179.209 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 71' ' ' PHE . . . . . . . . . . . . . 33.2 m-85 -59.21 -49.42 77.93 Favored 'General case' 0 CA--C 1.535 0.385 0 C-N-CA 123.923 0.889 . . . . 10.0 112.264 176.147 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 70.7 m -53.95 -48.32 70.39 Favored 'General case' 0 N--CA 1.473 0.718 0 C-N-CA 125.127 1.371 . . . . 10.0 112.88 -178.92 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 73' ' ' ARG . . . . . . . . . . . . . 89.4 mmt-85 -63.47 -52.12 62.73 Favored 'General case' 0 N--CA 1.474 0.774 0 C-N-CA 124.564 1.145 . . . . 10.0 112.326 176.089 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 37.1 mm-40 -65.9 -59.41 3.88 Favored 'General case' 0 N--CA 1.472 0.629 0 C-N-CA 124.229 1.012 . . . . 10.0 113.573 -176.735 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 23.1 ttmm -43.95 -40.02 4.39 Favored 'General case' 0 N--CA 1.481 1.112 0 C-N-CA 127.896 2.478 . . . . 10.0 115.147 -169.84 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 76' ' ' GLN . . . . . . . . . . . . . 95.7 mm-40 -53.78 -33.55 56.26 Favored 'General case' 0 CA--C 1.546 0.796 0 C-N-CA 125.713 1.605 . . . . 10.0 114.343 179.156 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 31.8 t70 -135.49 -35.04 0.82 Allowed 'General case' 0 N--CA 1.476 0.865 0 C-N-CA 125.039 1.336 . . . . 10.0 114.034 -172.715 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -77.38 63.44 2.56 Favored 'General case' 0 CA--C 1.543 0.688 0 C-N-CA 127.316 2.246 . . . . 10.0 112.578 -173.521 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 88.3 tttt -49.74 -62.28 1.65 Allowed 'General case' 0 N--CA 1.475 0.796 0 C-N-CA 127.704 2.402 . . . . 10.0 113.206 -171.934 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 39.7 tp -63.32 -44.82 93.87 Favored 'General case' 0 CA--C 1.536 0.441 0 C-N-CA 124.671 1.189 . . . . 10.0 112.166 -179.576 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 81' ' ' HIS . . . . . . . . . . . . . 16.3 t-160 -50.86 -48.22 60.17 Favored 'General case' 0 N--CA 1.471 0.603 0 C-N-CA 123.763 0.825 . . . . 10.0 112.019 -177.927 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 82' ' ' GLN . . . . . . . . . . . . . 84.0 mm-40 -47.88 -55.69 9.26 Favored 'General case' 0 N--CA 1.471 0.624 0 C-N-CA 124.207 1.003 . . . . 10.0 112.638 175.955 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 83' ' ' ARG . . . . . . . . . . . . . 10.6 mpt_? -54.48 -53.95 47.46 Favored 'General case' 0 N--CA 1.48 1.042 0 C-N-CA 124.435 1.094 . . . . 10.0 111.568 -178.553 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 84' ' ' VAL . . . . . . . . . . . . . 16.3 t -59.91 -49.98 81.85 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.772 0 C-N-CA 125.372 1.469 . . . . 10.0 111.101 178.682 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 85' ' ' LEU . . . . . . . . . . . . . 48.1 tp -60.49 -47.25 86.95 Favored 'General case' 0 N--CA 1.47 0.53 0 C-N-CA 126.089 1.756 . . . . 10.0 113.092 179.881 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 86' ' ' TRP . . . . . . . . . . . . . 68.9 m95 -60.7 -41.89 96.08 Favored 'General case' 0 N--CA 1.468 0.425 0 O-C-N 121.431 -0.793 . . . . 10.0 112.869 174.748 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 87' ' ' ARG . . . . . . . . . . . . . 14.8 tpt180 -58.33 -47.5 83.56 Favored 'General case' 0 N--CA 1.472 0.657 0 CA-C-O 118.571 -0.728 . . . . 10.0 111.636 169.748 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 88' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -50.96 -56.39 12.63 Favored 'General case' 0 N--CA 1.474 0.754 0 C-N-CA 125.363 1.465 . . . . 10.0 111.705 174.518 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 89' ' ' ILE . . . . . . . . . . . . . 81.4 mt -54.42 -51.18 51.68 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.539 0 C-N-CA 125.743 1.617 . . . . 10.0 110.796 176.29 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 40.4 ttmt -58.22 -46.07 86.55 Favored 'General case' 0 N--CA 1.472 0.671 0 C-N-CA 124.665 1.186 . . . . 10.0 113.164 177.744 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 68.5 mm-40 -52.52 -51.92 57.16 Favored 'General case' 0 N--CA 1.471 0.608 0 CA-C-N 119.526 1.057 . . . . 10.0 111.57 172.007 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 92' ' ' ILE . . . . . . . . . . . . . 96.7 mt -55.85 -54.46 26.26 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.948 0 C-N-CA 123.906 0.882 . . . . 10.0 111.474 174.581 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 93' ' ' CYS . . . . . . . . . . . . . 84.3 m -56.99 -43.75 82.04 Favored 'General case' 0 CA--C 1.547 0.85 0 C-N-CA 124.742 1.217 . . . . 10.0 112.642 -179.797 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 21.9 t -64.4 -45.37 87.9 Favored 'General case' 0 N--CA 1.475 0.784 0 C-N-CA 126.118 1.767 . . . . 10.0 113.561 174.208 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . -58.76 -49.48 77.47 Favored 'General case' 0 CA--C 1.541 0.634 0 C-N-CA 125.364 1.466 . . . . 10.0 113.67 -174.442 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 96' ' ' LYS . . . . . . . . . . . . . 18.8 ptpt -61.77 139.19 58.36 Favored 'General case' 0 N--CA 1.477 0.904 0 C-N-CA 124.3 1.04 . . . . 10.0 112.373 177.34 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 97' ' ' HIS . . . . . . . . . . . . . 2.9 m-70 -134.21 170.1 16.19 Favored 'General case' 0 N--CA 1.478 0.928 0 C-N-CA 126.523 1.929 . . . . 10.0 111.405 -178.481 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 98' ' ' CYS . . . . . . . . . . . . . 56.3 m -125.01 137.96 54.23 Favored 'General case' 0 N--CA 1.47 0.536 0 C-N-CA 125.009 1.324 . . . . 10.0 112.397 -174.545 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 99' ' ' ASP . . . . . . . . . . . . . 31.8 t70 -57.03 -44.89 83.33 Favored 'General case' 0 N--CA 1.472 0.66 0 C-N-CA 125.658 1.583 . . . . 10.0 113.8 -172.883 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 100' ' ' PHE . . . . . . . . . . . . . 9.0 p90 -71.95 -11.93 61.01 Favored 'General case' 0 CA--C 1.544 0.742 0 N-CA-C 115.166 1.543 . . . . 10.0 115.166 -176.065 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 101' ' ' TRP . . . . . . . . . . . . . 40.6 m0 . . . . . 0 N--CA 1.474 0.74 0 CA-C-N 119.915 1.234 . . . . 10.0 112.247 -179.422 . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' A' A ' 5' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER . . . . . 0 CA--C 1.552 1.043 0 CA-C-O 122.232 1.015 . . . . 10.0 110.424 . . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 6.4 ptp180 -77.34 159.55 77.37 Favored Pre-proline 0 CA--C 1.543 0.702 0 C-N-CA 127.811 2.444 . . . . 10.0 111.342 178.384 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 7' ' ' PRO . . . . . . . . . . . . . 20.4 Cg_endo -55.69 120.94 9.08 Favored 'Trans proline' 0 CA--C 1.539 0.729 0 C-N-CA 122.618 2.212 . . . . 10.0 111.149 177.26 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . 118.96 -20.93 9.71 Favored Glycine 0 CA--C 1.539 1.555 0 C-N-CA 127.851 2.643 . . . . 10.0 113.418 -169.63 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -59.32 133.32 55.99 Favored 'General case' 0 CA--C 1.545 0.779 0 CA-C-N 119.433 1.616 . . . . 10.0 113.493 -171.072 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 10' ' ' PHE . . . . . . . . . . . . . 19.7 m-30 -58.35 141.25 51.81 Favored 'General case' 0 CA--C 1.541 0.631 0 C-N-CA 124.074 0.95 . . . . 10.0 111.929 170.775 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 55.6 mt -112.71 96.39 4.64 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.538 0 C-N-CA 125.643 1.577 . . . . 10.0 107.006 169.835 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 55.9 mtmt -92.47 118.46 30.99 Favored 'General case' 0 N--CA 1.472 0.656 0 C-N-CA 125.46 1.504 . . . . 10.0 110.245 -178.55 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 73.3 mt-30 -121.02 -43.61 2.44 Favored 'General case' 0 CA--C 1.539 0.546 0 C-N-CA 127.819 2.448 . . . . 10.0 111.526 -171.465 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . 85.21 55.22 2.66 Favored Glycine 0 CA--C 1.532 1.152 0 C-N-CA 125.968 1.747 . . . . 10.0 111.638 -171.055 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 51.3 ttm-85 -122.1 77.0 1.34 Allowed 'General case' 0 N--CA 1.471 0.584 0 C-N-CA 126.874 2.069 . . . . 10.0 109.269 -175.43 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 76.1 tttt -46.26 105.77 0.07 Allowed 'General case' 0 N--CA 1.475 0.793 0 C-N-CA 127.884 2.473 . . . . 10.0 112.752 -169.844 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 89.9 mt -77.63 171.79 14.39 Favored 'General case' 0 CA--C 1.543 0.679 0 C-N-CA 126.17 1.788 . . . . 10.0 112.878 -172.077 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 19.5 t0 -121.98 90.4 3.3 Favored 'General case' 0 CA--C 1.541 0.609 0 C-N-CA 125.898 1.679 . . . . 10.0 110.286 174.805 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . 74.8 mt -132.03 125.76 55.34 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.651 0 C-N-CA 127.355 2.262 . . . . 10.0 107.517 -179.78 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 24.6 t0 -83.76 83.69 7.83 Favored 'General case' 0 N--CA 1.469 0.516 0 CA-C-O 121.916 0.865 . . . . 10.0 110.432 172.143 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 21' ' ' PHE . . . . . . . . . . . . . 89.2 m-85 -60.95 -41.47 96.34 Favored 'General case' 0 CA--C 1.539 0.54 0 C-N-CA 126.487 1.915 . . . . 10.0 111.82 172.539 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 127.31 162.55 11.18 Favored Glycine 0 CA--C 1.533 1.216 0 C-N-CA 127.578 2.513 . . . . 10.0 110.469 -169.663 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -43.98 -54.86 5.05 Favored 'General case' 0 CA--C 1.546 0.812 0 N-CA-C 115.33 1.604 . . . . 10.0 115.33 -169.892 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 58.1 mt-10 -60.87 -52.13 66.36 Favored 'General case' 0 N--CA 1.474 0.736 0 C-N-CA 124.089 0.956 . . . . 10.0 111.864 177.809 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -66.97 -38.19 92.64 Favored Glycine 0 CA--C 1.528 0.849 0 C-N-CA 124.539 1.066 . . . . 10.0 114.149 -175.719 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 90.4 m-20 -56.61 -50.77 71.02 Favored 'General case' 0 CA--C 1.536 0.404 0 C-N-CA 125.485 1.514 . . . . 10.0 110.315 172.839 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 99.4 mtt180 -62.86 -47.26 84.11 Favored 'General case' 0 N--CA 1.475 0.82 0 C-N-CA 124.599 1.16 . . . . 10.0 111.395 177.938 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 28' ' ' TYR . . . . . . . . . . . . . 77.2 t80 -58.11 -53.59 56.5 Favored 'General case' 0 CA--C 1.538 0.507 0 C-N-CA 124.725 1.21 . . . . 10.0 112.296 177.731 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 29' ' ' TYR . . . . . . . . . . . . . 81.8 t80 -57.13 -51.43 69.33 Favored 'General case' 0 CA--C 1.535 0.382 0 C-N-CA 124.763 1.225 . . . . 10.0 112.153 175.846 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -50.28 -35.29 26.64 Favored 'General case' 0 CA--C 1.546 0.807 0 N-CA-C 113.794 1.035 . . . . 10.0 113.794 178.005 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -86.08 -29.76 23.12 Favored 'General case' 0 CA--C 1.552 1.032 0 C-N-CA 125.681 1.593 . . . . 10.0 115.118 175.739 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 32' ' ' ASN . . . . . . . . . . . . . 55.5 m-80 -123.61 10.9 9.12 Favored 'General case' 0 CA--C 1.548 0.891 0 N-CA-C 116.541 2.052 . . . . 10.0 116.541 -169.036 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 33' ' ' TYR . . . . . . . . . . . . . 45.9 p90 -48.05 -34.05 8.97 Favored 'General case' 0 N--CA 1.478 0.936 0 C-N-CA 126.448 1.899 . . . . 10.0 115.059 -176.602 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 34' ' ' TRP . . . . . . . . . . . . . 63.7 p-90 -50.14 -33.91 20.54 Favored 'General case' 0 CA--C 1.546 0.813 0 C-N-CA 126.017 1.727 . . . . 10.0 114.521 174.306 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 29.9 mt-30 -70.22 -37.7 75.07 Favored 'General case' 0 N--CA 1.473 0.691 0 C-N-CA 124.829 1.252 . . . . 10.0 113.789 177.103 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 36' ' ' PHE . . . . . . . . . . . . . 69.8 m-85 -72.8 156.11 90.17 Favored Pre-proline 0 CA--C 1.543 0.7 0 C-N-CA 126.04 1.736 . . . . 10.0 114.57 -169.468 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 90.5 Cg_endo -73.48 128.06 12.38 Favored 'Trans proline' 0 CA--C 1.539 0.755 0 C-N-CA 123.314 2.676 . . . . 10.0 110.355 169.503 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 9.7 m-20 -85.47 -32.68 22.13 Favored 'General case' 0 N--CA 1.472 0.632 0 C-N-CA 123.956 0.902 . . . . 10.0 111.003 173.312 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . -134.54 172.16 22.0 Favored Glycine 0 CA--C 1.536 1.402 0 C-N-CA 127.165 2.317 . . . . 10.0 110.917 169.448 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 40' ' ' ILE . . . . . . . . . . . . . 98.5 mt -136.39 124.71 35.76 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.83 0 C-N-CA 124.646 1.178 . . . . 10.0 108.906 175.112 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 41' ' ' TYR . . . . . . . . . . . . . 71.9 t80 -72.76 101.47 3.11 Favored 'General case' 0 CA--C 1.535 0.377 0 C-N-CA 124.958 1.303 . . . . 10.0 110.136 174.132 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 42' ' ' TYR . . . . . . . . . . . . . 59.9 t80 -152.78 145.78 24.53 Favored 'General case' 0 N--CA 1.469 0.492 0 C-N-CA 124.055 0.942 . . . . 10.0 111.592 176.551 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 50.6 mt-10 -128.0 86.56 2.49 Favored 'General case' 0 N--CA 1.47 0.532 0 C-N-CA 125.839 1.656 . . . . 10.0 110.238 -177.503 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . -103.23 37.84 3.52 Favored Glycine 0 CA--C 1.533 1.159 0 C-N-CA 125.075 1.321 . . . . 10.0 113.964 -176.687 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 45' ' ' CYS . . . . . . . . . . . . . 70.7 m -135.42 119.73 17.85 Favored 'General case' 0 CA--C 1.541 0.609 0 C-N-CA 125.772 1.629 . . . . 10.0 110.725 -176.287 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 38.7 p -136.87 -59.32 0.71 Allowed 'General case' 0 N--CA 1.472 0.642 0 C-N-CA 126.081 1.752 . . . . 10.0 112.146 178.639 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 12.0 pt-20 -147.1 158.79 44.05 Favored 'General case' 0 CA--C 1.542 0.667 0 C-N-CA 126.138 1.775 . . . . 10.0 112.908 -178.376 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -56.01 -19.72 13.75 Favored 'General case' 0 CA--C 1.546 0.824 0 N-CA-C 116.143 1.905 . . . . 10.0 116.143 -174.755 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 72.8 m-20 -61.96 -31.65 72.01 Favored 'General case' 0 CA--C 1.546 0.813 0 C-N-CA 123.979 0.912 . . . . 10.0 113.152 170.401 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . 47.1 t -70.28 130.35 34.59 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.865 0 C-N-CA 124.672 1.189 . . . . 10.0 109.898 170.477 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 73.5 p -112.72 170.85 7.9 Favored 'General case' 0 N--CA 1.477 0.903 0 C-N-CA 125.533 1.533 . . . . 10.0 111.532 -176.998 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 62.6 tttm -57.56 -54.55 45.53 Favored 'General case' 0 N--CA 1.473 0.718 0 O-C-N 121.619 -0.676 . . . . 10.0 112.189 176.803 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 12.8 pt-20 -53.0 -43.11 66.23 Favored 'General case' 0 CA--C 1.543 0.678 0 N-CA-C 113.009 0.744 . . . . 10.0 113.009 176.717 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 54' ' ' MET . . . . . . . . . . . . . 59.3 mtm -61.47 -44.98 96.13 Favored 'General case' 0 CA--C 1.538 0.508 0 C-N-CA 123.416 0.686 . . . . 10.0 112.826 171.925 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 3.0 tt -55.64 -59.55 4.69 Favored 'General case' 0 N--CA 1.47 0.569 0 CA-C-N 119.528 1.058 . . . . 10.0 111.358 173.656 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 18.5 t -54.25 -48.37 67.08 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.909 0 CA-C-N 119.364 0.984 . . . . 10.0 111.151 -177.543 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 57' ' ' THR . . . . . . . . . . . . . 57.9 m -61.3 -53.74 52.85 Favored 'General case' 0 N--CA 1.476 0.829 0 C-N-CA 124.942 1.297 . . . . 10.0 112.284 178.802 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 96.7 p -60.89 -36.94 80.53 Favored 'General case' 0 N--CA 1.472 0.673 0 O-C-N 121.491 -0.756 . . . . 10.0 112.642 177.915 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 59' ' ' CYS . . . . . . . . . . . . . 43.4 t -57.79 -51.35 69.94 Favored 'General case' 0 CA--C 1.536 0.441 0 C-N-CA 125.744 1.617 . . . . 10.0 112.646 170.843 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 60' ' ' VAL . . . . . . . . . . . . . 43.8 t -54.46 -49.11 67.86 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.071 0 CA-C-N 119.402 1.001 . . . . 10.0 111.466 172.29 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 61' ' ' ASN . . . . . . . . . . . . . 15.8 m-80 -59.45 -44.03 93.04 Favored 'General case' 0 CA--C 1.545 0.759 0 C-N-CA 124.155 0.982 . . . . 10.0 113.147 176.887 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -61.1 -49.15 78.47 Favored 'General case' 0 CA--C 1.539 0.549 0 C-N-CA 124.042 0.937 . . . . 10.0 111.11 173.823 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 63' ' ' THR . . . . . . . . . . . . . 33.1 m -52.95 -50.27 64.39 Favored 'General case' 0 N--CA 1.472 0.644 0 C-N-CA 125.779 1.632 . . . . 10.0 111.751 176.9 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 64' ' ' GLN . . . . . . . . . . . . . 79.6 mt-30 -48.36 -60.66 2.49 Favored 'General case' 0 CA--C 1.538 0.506 0 C-N-CA 125.433 1.493 . . . . 10.0 112.015 172.512 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -58.6 -38.65 78.43 Favored 'General case' 0 CA--C 1.546 0.815 0 C-N-CA 125.351 1.461 . . . . 10.0 114.165 -179.387 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -71.71 -38.61 70.5 Favored 'General case' 0 CA--C 1.542 0.659 0 N-CA-C 114.459 1.281 . . . . 10.0 114.459 179.68 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 67' ' ' ASN . . . . . . . . . . . . . 11.4 m-80 -117.82 40.14 3.19 Favored 'General case' 0 CA--C 1.546 0.811 0 C-N-CA 124.242 1.017 . . . . 10.0 112.411 -169.824 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 68' ' ' GLN . . . . . . . . . . . . . 37.8 mm-40 -48.96 -52.88 22.33 Favored 'General case' 0 N--CA 1.475 0.776 0 C-N-CA 126.394 1.878 . . . . 10.0 113.086 -179.69 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -53.18 -42.99 66.77 Favored 'General case' 0 CA--C 1.542 0.656 0 C-N-CA 125.222 1.409 . . . . 10.0 113.191 179.849 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 28.6 mm-40 -59.33 -58.68 7.54 Favored 'General case' 0 CA--C 1.537 0.444 0 C-N-CA 124.243 1.017 . . . . 10.0 110.725 175.473 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 71' ' ' PHE . . . . . . . . . . . . . 37.2 m-85 -58.32 -28.91 65.47 Favored 'General case' 0 CA--C 1.54 0.58 0 N-CA-C 114.468 1.284 . . . . 10.0 114.468 -178.956 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 72.7 m -62.32 -56.11 21.58 Favored 'General case' 0 N--CA 1.473 0.708 0 CA-C-N 119.105 0.866 . . . . 10.0 112.497 169.841 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 73' ' ' ARG . . . . . . . . . . . . . 68.4 mtm-85 -63.98 -58.6 6.22 Favored 'General case' 0 N--CA 1.478 0.934 0 C-N-CA 124.133 0.973 . . . . 10.0 112.556 178.808 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 54.9 mm-40 -74.49 43.67 0.19 Allowed 'General case' 0 CA--C 1.545 0.771 0 C-N-CA 128.688 2.795 . . . . 10.0 113.418 -169.418 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 41.6 ttmt -155.31 -62.47 0.12 Allowed 'General case' 0 N--CA 1.468 0.459 0 C-N-CA 129.582 3.153 . . . . 10.0 109.458 -173.747 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 76' ' ' GLN . . . . . . . . . . . . . 89.7 mm-40 -65.37 -52.79 51.24 Favored 'General case' 0 CA--C 1.54 0.558 0 C-N-CA 125.433 1.493 . . . . 10.0 111.472 173.617 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 25.1 t70 -71.5 -39.17 71.0 Favored 'General case' 0 CA--C 1.542 0.641 0 C-N-CA 124.181 0.993 . . . . 10.0 112.561 176.724 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 6.9 t -132.31 97.74 4.2 Favored 'General case' 0 N--CA 1.471 0.625 0 C-N-CA 124.599 1.159 . . . . 10.0 113.321 -175.676 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 88.1 tttt -60.39 -46.72 88.96 Favored 'General case' 0 N--CA 1.475 0.798 0 C-N-CA 125.942 1.697 . . . . 10.0 112.029 173.72 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -52.51 -49.51 64.65 Favored 'General case' 0 N--CA 1.472 0.67 0 C-N-CA 125.893 1.677 . . . . 10.0 111.145 177.736 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 81' ' ' HIS . . . . . . . . . . . . . 6.4 t-160 -51.42 -48.41 62.69 Favored 'General case' 0 N--CA 1.466 0.373 0 C-N-CA 125.591 1.556 . . . . 10.0 113.55 -170.691 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 82' ' ' GLN . . . . . . . . . . . . . 61.4 mm-40 -44.37 -60.84 1.75 Allowed 'General case' 0 N--CA 1.477 0.886 0 C-N-CA 125.055 1.342 . . . . 10.0 113.742 -178.011 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 83' ' ' ARG . . . . . . . . . . . . . 61.0 mtm180 -52.35 -51.75 57.11 Favored 'General case' 0 N--CA 1.479 1.001 0 C-N-CA 124.572 1.149 . . . . 10.0 112.223 -178.129 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 84' ' ' VAL . . . . . . . . . . . . . 3.4 t -59.71 -54.2 37.91 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.721 0 C-N-CA 125.893 1.677 . . . . 10.0 110.969 178.026 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 85' ' ' LEU . . . . . . . . . . . . . 33.8 tp -56.11 -51.75 66.79 Favored 'General case' 0 CA--C 1.536 0.406 0 C-N-CA 126.126 1.77 . . . . 10.0 112.312 -179.832 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 86' ' ' TRP . . . . . . . . . . . . . 58.6 m95 -59.48 -43.43 93.29 Favored 'General case' 0 N--CA 1.467 0.422 0 N-CA-C 113.446 0.906 . . . . 10.0 113.446 175.952 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 87' ' ' ARG . . . . . . . . . . . . . 14.4 tpt180 -56.67 -50.57 71.7 Favored 'General case' 0 N--CA 1.472 0.654 0 CA-C-N 118.864 0.756 . . . . 10.0 111.297 171.538 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 88' ' ' LEU . . . . . . . . . . . . . 1.2 tt -57.13 -52.79 63.88 Favored 'General case' 0 CA--C 1.544 0.736 0 C-N-CA 124.392 1.077 . . . . 10.0 112.011 177.573 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 89' ' ' ILE . . . . . . . . . . . . . 84.2 mt -49.94 -51.35 16.85 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.733 0 C-N-CA 124.86 1.264 . . . . 10.0 110.519 172.998 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 85.4 tttt -59.56 -46.44 88.9 Favored 'General case' 0 N--CA 1.471 0.585 0 CA-C-O 118.004 -0.998 . . . . 10.0 113.224 177.104 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 59.4 mm-40 -52.88 -50.68 63.36 Favored 'General case' 0 N--CA 1.474 0.774 0 CA-C-N 120.16 1.345 . . . . 10.0 111.811 172.33 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 92' ' ' ILE . . . . . . . . . . . . . 96.1 mt -57.54 -56.08 17.41 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.869 0 C-N-CA 124.225 1.01 . . . . 10.0 111.349 174.309 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 93' ' ' CYS . . . . . . . . . . . . . 68.9 m -57.3 -40.15 77.24 Favored 'General case' 0 CA--C 1.548 0.873 0 C-N-CA 124.701 1.2 . . . . 10.0 112.678 -179.774 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 16.1 t -64.06 -40.22 95.8 Favored 'General case' 0 N--CA 1.474 0.743 0 C-N-CA 126.445 1.898 . . . . 10.0 113.596 173.368 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . -59.15 -34.69 72.38 Favored 'General case' 0 CA--C 1.544 0.742 0 C-N-CA 124.001 0.92 . . . . 10.0 113.193 176.928 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 96' ' ' LYS . . . . . . . . . . . . . 28.1 mttm -55.59 130.25 42.23 Favored 'General case' 0 N--CA 1.478 0.969 0 C-N-CA 125.036 1.334 . . . . 10.0 111.949 177.573 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 97' ' ' HIS . . . . . 0.448 ' HA ' ' CZ3' ' A' ' 101' ' ' TRP . 26.6 m80 -131.88 154.5 49.14 Favored 'General case' 0 N--CA 1.473 0.722 0 C-N-CA 125.753 1.621 . . . . 10.0 111.908 175.181 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 98' ' ' CYS . . . . . . . . . . . . . 37.7 m -110.54 132.69 53.97 Favored 'General case' 0 CA--C 1.539 0.556 0 C-N-CA 124.934 1.294 . . . . 10.0 111.04 173.579 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 99' ' ' ASP . . . . . . . . . . . . . 32.2 t70 -58.29 -39.04 78.25 Favored 'General case' 0 N--CA 1.474 0.729 0 C-N-CA 124.835 1.254 . . . . 10.0 113.433 -177.801 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 100' ' ' PHE . . . . . . . . . . . . . 5.3 p90 -68.26 -11.32 59.18 Favored 'General case' 0 CA--C 1.545 0.769 0 N-CA-C 115.492 1.664 . . . . 10.0 115.492 -178.458 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 101' ' ' TRP . . . . . 0.448 ' CZ3' ' HA ' ' A' ' 97' ' ' HIS . 33.2 m0 . . . . . 0 N--CA 1.472 0.638 0 CA-C-N 120.038 1.29 . . . . 10.0 112.7 -177.993 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 5' ' ' ASN . . . . . . . . . . . . . 55.1 t30 . . . . . 0 CA--C 1.549 0.911 0 CA-C-O 122.343 1.068 . . . . 10.0 112.259 . . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 15.4 ptt-85 -78.46 150.84 77.11 Favored Pre-proline 0 N--CA 1.474 0.737 0 C-N-CA 128.156 2.582 . . . . 10.0 111.977 176.683 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 7' ' ' PRO . . . . . . . . . . . . . 45.7 Cg_endo -61.51 118.49 5.37 Favored 'Trans proline' 0 CA--C 1.539 0.728 0 C-N-CA 122.53 2.153 . . . . 10.0 110.14 175.208 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . 113.77 -10.68 23.29 Favored Glycine 0 CA--C 1.539 1.539 0 C-N-CA 126.515 2.007 . . . . 10.0 113.94 -169.779 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -62.26 130.77 46.88 Favored 'General case' 0 CA--C 1.544 0.738 0 CA-C-N 119.602 1.701 . . . . 10.0 112.067 -179.633 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 10' ' ' PHE . . . . . . . . . . . . . 28.2 m-85 -62.27 151.42 36.47 Favored 'General case' 0 CA--C 1.54 0.559 0 C-N-CA 123.466 0.706 . . . . 10.0 112.073 172.988 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 71.8 mt -121.14 115.45 46.76 Favored 'Isoleucine or valine' 0 C--O 1.236 0.368 0 N-CA-C 106.594 -1.632 . . . . 10.0 106.594 169.612 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 57.4 mtmt -117.6 85.83 2.41 Favored 'General case' 0 N--CA 1.471 0.612 0 C-N-CA 126.282 1.833 . . . . 10.0 109.767 -175.514 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 35.8 mt-30 -76.82 -30.9 56.57 Favored 'General case' 0 CA--C 1.541 0.599 0 C-N-CA 126.518 1.927 . . . . 10.0 111.15 171.664 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . 87.47 62.56 1.47 Allowed Glycine 0 CA--C 1.529 0.964 0 C-N-CA 125.314 1.435 . . . . 10.0 110.229 -174.915 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 37.3 ttp85 -128.39 106.87 9.3 Favored 'General case' 0 N--CA 1.47 0.552 0 C-N-CA 126.865 2.066 . . . . 10.0 110.262 -169.703 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 75.4 tttt -69.87 104.96 2.63 Favored 'General case' 0 N--CA 1.473 0.693 0 C-N-CA 125.68 1.592 . . . . 10.0 110.761 -178.172 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 86.8 mt -75.14 173.7 10.42 Favored 'General case' 0 CA--C 1.543 0.709 0 C-N-CA 125.724 1.61 . . . . 10.0 112.812 -177.449 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 19.5 t0 -126.2 93.32 3.78 Favored 'General case' 0 CA--C 1.541 0.628 0 C-N-CA 125.852 1.661 . . . . 10.0 110.087 172.758 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . 88.7 mt -132.62 134.52 58.61 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.719 0 C-N-CA 127.44 2.296 . . . . 10.0 108.34 -179.121 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 24.4 t0 -85.23 102.43 13.32 Favored 'General case' 0 CA--C 1.538 0.508 0 CA-C-O 121.727 0.775 . . . . 10.0 109.594 169.361 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 21' ' ' PHE . . . . . . . . . . . . . 74.0 m-85 -81.9 -31.42 31.42 Favored 'General case' 0 CA--C 1.542 0.637 0 C-N-CA 126.907 2.083 . . . . 10.0 111.774 170.363 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 119.18 155.45 9.8 Favored Glycine 0 CA--C 1.533 1.184 0 C-N-CA 127.849 2.643 . . . . 10.0 109.754 -169.554 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -41.33 -56.08 2.55 Favored 'General case' 0 CA--C 1.548 0.891 0 N-CA-C 115.546 1.684 . . . . 10.0 115.546 -169.695 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 40.3 tt0 -60.72 -46.8 89.03 Favored 'General case' 0 CA--C 1.544 0.729 0 C-N-CA 125.026 1.33 . . . . 10.0 112.433 178.464 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -68.38 -40.19 87.13 Favored Glycine 0 CA--C 1.533 1.177 0 C-N-CA 125.258 1.408 . . . . 10.0 114.249 179.582 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 92.2 m-20 -55.25 -49.61 71.58 Favored 'General case' 0 CA--C 1.535 0.383 0 C-N-CA 126.253 1.821 . . . . 10.0 110.436 173.897 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 94.4 mtt-85 -60.46 -45.81 92.36 Favored 'General case' 0 N--CA 1.474 0.749 0 C-N-CA 124.845 1.258 . . . . 10.0 111.769 175.917 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 28' ' ' TYR . . . . . . . . . . . . . 73.4 t80 -59.7 -53.37 58.73 Favored 'General case' 0 CA--C 1.536 0.442 0 C-N-CA 123.945 0.898 . . . . 10.0 112.343 177.805 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 29' ' ' TYR . . . . . . . . . . . . . 79.5 t80 -56.05 -52.72 63.25 Favored 'General case' 0 CA--C 1.535 0.386 0 C-N-CA 124.145 0.978 . . . . 10.0 112.006 175.494 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -50.45 -32.8 18.88 Favored 'General case' 0 CA--C 1.546 0.809 0 N-CA-C 114.209 1.188 . . . . 10.0 114.209 178.686 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -88.75 -28.63 20.38 Favored 'General case' 0 CA--C 1.551 1.003 0 C-N-CA 125.741 1.616 . . . . 10.0 115.068 176.236 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 32' ' ' ASN . . . . . . . . . . . . . 55.7 m-80 -122.97 7.63 9.28 Favored 'General case' 0 CA--C 1.549 0.911 0 N-CA-C 116.289 1.959 . . . . 10.0 116.289 -169.101 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 33' ' ' TYR . . . . . . . . . . . . . 45.6 p90 -45.57 -34.21 3.23 Favored 'General case' 0 N--CA 1.476 0.859 0 C-N-CA 127.417 2.287 . . . . 10.0 115.505 -176.589 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 34' ' ' TRP . . . . . . . . . . . . . 63.3 p-90 -51.94 -34.31 41.35 Favored 'General case' 0 CA--C 1.546 0.8 0 C-N-CA 126.012 1.725 . . . . 10.0 114.497 175.532 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 31.1 mt-30 -67.84 -42.53 81.29 Favored 'General case' 0 N--CA 1.475 0.799 0 C-N-CA 124.21 1.004 . . . . 10.0 112.833 176.225 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 36' ' ' PHE . . . . . . . . . . . . . 76.4 m-85 -69.97 154.61 94.51 Favored Pre-proline 0 CA--C 1.542 0.663 0 C-N-CA 126.547 1.939 . . . . 10.0 114.086 -169.741 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 65.8 Cg_endo -72.9 153.13 52.85 Favored 'Trans proline' 0 CA--C 1.539 0.77 0 C-N-CA 123.024 2.482 . . . . 10.0 109.835 169.021 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 4.1 p30 -115.49 -29.04 6.63 Favored 'General case' 0 N--CA 1.474 0.729 0 C-N-CA 123.9 0.88 . . . . 10.0 111.492 169.882 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . -122.91 166.55 15.29 Favored Glycine 0 CA--C 1.539 1.558 0 C-N-CA 125.477 1.513 . . . . 10.0 110.907 168.36 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 40' ' ' ILE . . . . . . . . . . . . . 97.3 mt -138.71 125.41 25.47 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.956 0 C-N-CA 125.041 1.337 . . . . 10.0 108.492 171.941 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 41' ' ' TYR . . . . . . . . . . . . . 89.7 t80 -74.37 117.18 15.89 Favored 'General case' 0 CA--C 1.536 0.433 0 C-N-CA 124.262 1.025 . . . . 10.0 110.001 169.933 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 42' ' ' TYR . . . . . . . . . . . . . 67.8 t80 -152.9 156.24 38.58 Favored 'General case' 0 CA--C 1.542 0.64 0 C-N-CA 124.715 1.206 . . . . 10.0 111.408 179.591 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 46.5 mt-10 -124.8 95.46 4.52 Favored 'General case' 0 CA--C 1.539 0.546 0 C-N-CA 125.826 1.65 . . . . 10.0 110.072 -177.568 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . -104.91 -64.76 0.66 Allowed Glycine 0 CA--C 1.53 0.997 0 C-N-CA 125.225 1.393 . . . . 10.0 113.838 -170.897 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 45' ' ' CYS . . . . . . . . . . . . . 64.8 m -57.62 117.37 4.13 Favored 'General case' 0 CA--C 1.544 0.748 0 C-N-CA 125.264 1.426 . . . . 10.0 112.001 -178.103 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 23.3 t -140.76 -60.19 0.51 Allowed 'General case' 0 N--CA 1.472 0.64 0 C-N-CA 125.594 1.558 . . . . 10.0 111.981 -175.488 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 11.2 pt-20 -142.53 156.58 45.14 Favored 'General case' 0 N--CA 1.472 0.638 0 C-N-CA 125.074 1.35 . . . . 10.0 112.716 178.963 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -51.84 -31.82 29.27 Favored 'General case' 0 CA--C 1.544 0.721 0 C-N-CA 126.261 1.825 . . . . 10.0 115.265 -175.683 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 79.3 m-20 -64.36 -29.37 70.45 Favored 'General case' 0 CA--C 1.544 0.732 0 C-N-CA 124.767 1.227 . . . . 10.0 113.63 177.737 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . 64.5 t -65.19 111.3 1.3 Allowed 'Isoleucine or valine' 0 N--CA 1.477 0.879 0 C-N-CA 124.498 1.119 . . . . 10.0 109.175 172.365 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 72.3 p -85.0 174.84 9.44 Favored 'General case' 0 N--CA 1.479 1.019 0 C-N-CA 124.545 1.138 . . . . 10.0 112.029 175.187 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 88.2 tttt -60.57 -51.16 70.61 Favored 'General case' 0 N--CA 1.475 0.781 0 O-C-N 121.208 -0.932 . . . . 10.0 110.333 169.488 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 2.3 mp0 -47.51 -50.25 23.89 Favored 'General case' 0 CA--C 1.538 0.483 0 C-N-CA 125.097 1.359 . . . . 10.0 111.792 176.276 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 54' ' ' MET . . . . . . . . . . . . . 95.7 mtp -56.55 -58.78 6.57 Favored 'General case' 0 CA--C 1.536 0.432 0 C-N-CA 124.32 1.048 . . . . 10.0 112.336 171.216 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 6.9 tt -56.62 -54.09 50.05 Favored 'General case' 0 N--CA 1.468 0.442 0 C-N-CA 123.965 0.906 . . . . 10.0 112.32 -174.192 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 62.7 t -56.58 -48.32 80.65 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.779 0 C-N-CA 125.672 1.589 . . . . 10.0 111.053 179.803 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 57' ' ' THR . . . . . . . . . . . . . 87.8 m -60.08 -51.44 69.61 Favored 'General case' 0 N--CA 1.478 0.95 0 C-N-CA 124.355 1.062 . . . . 10.0 111.862 176.459 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 69.5 m -60.21 -36.3 77.37 Favored 'General case' 0 N--CA 1.469 0.52 0 C-N-CA 124.204 1.002 . . . . 10.0 112.845 176.58 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 59' ' ' CYS . . . . . . . . . . . . . 28.7 t -59.07 -50.2 74.97 Favored 'General case' 0 CA--C 1.539 0.521 0 C-N-CA 125.163 1.385 . . . . 10.0 112.648 170.751 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 60' ' ' VAL . . . . . . . . . . . . . 47.1 t -55.2 -49.35 72.9 Favored 'Isoleucine or valine' 0 N--CA 1.479 1.003 0 C-N-CA 123.818 0.847 . . . . 10.0 111.24 172.33 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 61' ' ' ASN . . . . . . . . . . . . . 15.7 m-80 -59.32 -44.0 92.62 Favored 'General case' 0 CA--C 1.545 0.759 0 C-N-CA 124.4 1.08 . . . . 10.0 113.103 176.5 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -61.48 -47.55 85.16 Favored 'General case' 0 CA--C 1.536 0.427 0 C-N-CA 124.151 0.981 . . . . 10.0 111.212 174.74 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 63' ' ' THR . . . . . . . . . . . . . 27.1 m -54.89 -48.98 72.3 Favored 'General case' 0 N--CA 1.472 0.669 0 C-N-CA 124.963 1.305 . . . . 10.0 111.513 175.465 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 64' ' ' GLN . . . . . . . . . . . . . 77.1 mt-30 -51.52 -64.11 0.92 Allowed 'General case' 0 CA--C 1.538 0.506 0 C-N-CA 124.813 1.245 . . . . 10.0 111.5 170.687 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -51.58 -44.02 62.65 Favored 'General case' 0 CA--C 1.544 0.75 0 C-N-CA 126.073 1.749 . . . . 10.0 113.882 -177.994 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -66.87 -28.62 68.48 Favored 'General case' 0 CA--C 1.543 0.685 0 C-N-CA 125.136 1.374 . . . . 10.0 114.381 177.652 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 67' ' ' ASN . . . . . . . . . . . . . 18.6 m-80 -132.12 38.32 3.51 Favored 'General case' 0 CA--C 1.547 0.832 0 CA-C-N 119.641 1.11 . . . . 10.0 113.117 -170.435 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 68' ' ' GLN . . . . . . . . . . . . . 16.4 mm-40 -54.38 -52.85 60.38 Favored 'General case' 0 N--CA 1.475 0.805 0 C-N-CA 125.025 1.33 . . . . 10.0 113.008 -173.162 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -57.9 -46.56 84.75 Favored 'General case' 0 CA--C 1.543 0.681 0 C-N-CA 124.728 1.211 . . . . 10.0 112.741 178.99 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 33.8 mm-40 -54.27 -48.52 71.12 Favored 'General case' 0 N--CA 1.472 0.67 0 C-N-CA 125.085 1.354 . . . . 10.0 111.697 -179.942 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 71' ' ' PHE . . . . . . . . . . . . . 52.7 m-85 -64.01 -61.14 2.46 Favored 'General case' 0 CA--C 1.536 0.433 0 C-N-CA 123.598 0.759 . . . . 10.0 111.877 171.183 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 70.2 m -52.11 -47.49 65.28 Favored 'General case' 0 N--CA 1.474 0.757 0 C-N-CA 125.95 1.7 . . . . 10.0 114.584 -169.816 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 73' ' ' ARG . . . . . . . . . . . . . 29.8 mmt85 -60.81 -47.6 85.62 Favored 'General case' 0 N--CA 1.476 0.842 0 C-N-CA 124.512 1.125 . . . . 10.0 112.466 -179.953 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 14.5 mt-10 -68.52 -46.69 68.88 Favored 'General case' 0 N--CA 1.471 0.599 0 C-N-CA 123.89 0.876 . . . . 10.0 113.341 175.474 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 40.2 ttpt -45.31 -31.53 1.63 Allowed 'General case' 0 N--CA 1.481 1.122 0 C-N-CA 127.844 2.457 . . . . 10.0 115.093 -175.243 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 76' ' ' GLN . . . . . . . . . . . . . 77.6 mm-40 -51.71 -35.14 41.79 Favored 'General case' 0 CA--C 1.545 0.77 0 C-N-CA 125.589 1.556 . . . . 10.0 113.828 174.921 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 31.8 t70 -136.72 -36.78 0.69 Allowed 'General case' 0 N--CA 1.475 0.775 0 C-N-CA 125.633 1.573 . . . . 10.0 114.029 -173.504 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -77.42 53.68 1.07 Allowed 'General case' 0 CA--C 1.547 0.829 0 C-N-CA 127.363 2.265 . . . . 10.0 113.309 -171.176 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 16.4 tppt? -56.75 -51.38 69.09 Favored 'General case' 0 N--CA 1.476 0.831 0 C-N-CA 126.514 1.926 . . . . 10.0 112.969 -174.22 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 38.2 tp -57.44 -45.39 84.74 Favored 'General case' 0 N--CA 1.469 0.507 0 C-N-CA 124.38 1.072 . . . . 10.0 111.828 175.326 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 81' ' ' HIS . . . . . . . . . . . . . 14.1 t-160 -56.86 -53.45 57.74 Favored 'General case' 0 N--CA 1.469 0.505 0 CA-C-O 118.185 -0.912 . . . . 10.0 111.35 175.049 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 82' ' ' GLN . . . . . . . . . . . . . 95.6 mm-40 -48.93 -56.41 8.93 Favored 'General case' 0 N--CA 1.473 0.691 0 C-N-CA 124.432 1.093 . . . . 10.0 112.071 176.093 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 83' ' ' ARG . . . . . . . . . . . . . 51.4 mtp180 -48.21 -57.14 6.34 Favored 'General case' 0 N--CA 1.479 1.023 0 C-N-CA 125.491 1.516 . . . . 10.0 112.735 178.277 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 84' ' ' VAL . . . . . . . . . . . . . 56.3 t -61.73 -51.48 72.16 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.872 0 C-N-CA 125.611 1.565 . . . . 10.0 111.237 178.834 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 85' ' ' LEU . . . . . . . . . . . . . 49.5 tp -55.71 -47.55 76.67 Favored 'General case' 0 N--CA 1.469 0.502 0 C-N-CA 126.203 1.801 . . . . 10.0 112.813 -179.495 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 86' ' ' TRP . . . . . . . . . . . . . 63.2 m95 -62.17 -43.38 98.95 Favored 'General case' 0 N--CA 1.468 0.439 0 N-CA-C 113.786 1.032 . . . . 10.0 113.786 176.7 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 87' ' ' ARG . . . . . . . . . . . . . 24.2 tpt180 -55.45 -46.81 76.76 Favored 'General case' 0 N--CA 1.479 0.979 0 C-N-CA 123.836 0.855 . . . . 10.0 111.467 170.204 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 88' ' ' LEU . . . . . . . . . . . . . 1.9 tt -57.47 -57.14 13.99 Favored 'General case' 0 CA--C 1.546 0.796 0 C-N-CA 124.712 1.205 . . . . 10.0 112.087 174.781 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 89' ' ' ILE . . . . . . . . . . . . . 86.9 mt -50.88 -49.16 27.6 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.818 0 C-N-CA 125.038 1.335 . . . . 10.0 110.913 176.167 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 24.1 tptm -58.23 -45.96 86.8 Favored 'General case' 0 N--CA 1.47 0.539 0 C-N-CA 124.344 1.058 . . . . 10.0 112.905 176.971 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 21.4 mm-40 -56.58 -47.27 79.93 Favored 'General case' 0 N--CA 1.473 0.681 0 CA-C-N 119.624 1.102 . . . . 10.0 112.579 172.433 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 92' ' ' ILE . . . . . . . . . . . . . 97.4 mt -56.22 -54.12 31.48 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.922 0 C-N-CA 123.731 0.813 . . . . 10.0 110.997 172.987 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 93' ' ' CYS . . . . . . . . . . . . . 93.5 m -58.23 -46.43 85.92 Favored 'General case' 0 CA--C 1.545 0.76 0 C-N-CA 123.752 0.821 . . . . 10.0 112.351 179.031 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 21.6 t -52.65 -41.53 63.86 Favored 'General case' 0 N--CA 1.476 0.855 0 C-N-CA 125.724 1.61 . . . . 10.0 113.472 175.567 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . -60.87 -27.01 67.81 Favored 'General case' 0 CA--C 1.548 0.903 0 N-CA-C 114.229 1.196 . . . . 10.0 114.229 177.994 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 96' ' ' LYS . . . . . . . . . . . . . 43.2 mttm -69.05 106.26 2.72 Favored 'General case' 0 N--CA 1.475 0.823 0 C-N-CA 125.266 1.426 . . . . 10.0 111.559 -177.887 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 97' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -123.64 148.51 46.38 Favored 'General case' 0 N--CA 1.469 0.511 0 C-N-CA 126.291 1.836 . . . . 10.0 114.132 -173.978 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 98' ' ' CYS . . . . . . . . . . . . . 32.8 m -113.83 135.32 54.09 Favored 'General case' 0 N--CA 1.47 0.551 0 C-N-CA 124.615 1.166 . . . . 10.0 112.429 -177.289 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 99' ' ' ASP . . . . . . . . . . . . . 32.9 t70 -59.58 -38.65 81.77 Favored 'General case' 0 CA--C 1.542 0.652 0 C-N-CA 125.021 1.328 . . . . 10.0 113.063 177.536 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 100' ' ' PHE . . . . . . . . . . . . . 5.8 p90 -66.74 -15.23 63.4 Favored 'General case' 0 CA--C 1.543 0.695 0 N-CA-C 115.534 1.679 . . . . 10.0 115.534 -176.631 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 101' ' ' TRP . . . . . . . . . . . . . 31.4 m0 . . . . . 0 N--CA 1.473 0.675 0 CA-C-N 120.02 1.282 . . . . 10.0 114.035 -174.114 . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' A' A ' 5' ' ' ASN . . . . . . . . . . . . . 1.0 OUTLIER . . . . . 0 CA--C 1.544 0.735 0 CA-C-O 122.826 1.298 . . . . 10.0 109.03 . . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 24.8 ptt-85 -86.4 146.37 41.95 Favored Pre-proline 0 N--CA 1.474 0.773 0 C-N-CA 127.925 2.49 . . . . 10.0 112.069 176.869 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 7' ' ' PRO . . . . . . . . . . . . . 73.4 Cg_exo -49.12 117.59 2.94 Favored 'Trans proline' 0 CA--C 1.54 0.799 0 C-N-CA 123.789 2.993 . . . . 10.0 113.087 176.42 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . 115.44 -20.37 13.82 Favored Glycine 0 CA--C 1.538 1.478 0 C-N-CA 127.252 2.358 . . . . 10.0 113.968 -170.681 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -59.86 134.99 57.55 Favored 'General case' 0 CA--C 1.544 0.732 0 CA-C-N 119.505 1.652 . . . . 10.0 113.19 -172.11 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 10' ' ' PHE . . . . . . . . . . . . . 21.1 m-85 -60.91 148.4 39.79 Favored 'General case' 0 CA--C 1.54 0.588 0 C-N-CA 123.598 0.759 . . . . 10.0 112.874 173.547 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 68.4 mt -118.67 98.23 6.21 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.519 0 C-N-CA 125.952 1.701 . . . . 10.0 106.562 169.623 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 85.6 mttt -93.1 97.5 10.72 Favored 'General case' 0 N--CA 1.473 0.701 0 C-N-CA 125.153 1.381 . . . . 10.0 110.383 -177.2 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 27.0 mt-30 -90.18 -16.1 30.16 Favored 'General case' 0 N--CA 1.472 0.667 0 C-N-CA 124.449 1.1 . . . . 10.0 112.486 174.548 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . 78.02 7.47 87.56 Favored Glycine 0 CA--C 1.537 1.439 0 C-N-CA 125.027 1.299 . . . . 10.0 114.429 -178.535 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 42.7 ttp180 -70.4 125.04 25.68 Favored 'General case' 0 N--CA 1.471 0.581 0 C-N-CA 126.711 2.004 . . . . 10.0 111.109 178.478 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 59.5 tttm -72.0 107.72 4.86 Favored 'General case' 0 N--CA 1.473 0.705 0 C-N-CA 124.83 1.252 . . . . 10.0 110.322 173.174 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 95.4 mt -75.28 172.75 11.88 Favored 'General case' 0 CA--C 1.544 0.713 0 C-N-CA 125.767 1.627 . . . . 10.0 112.538 178.233 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 19.1 t0 -123.09 91.06 3.41 Favored 'General case' 0 CA--C 1.541 0.625 0 C-N-CA 125.97 1.708 . . . . 10.0 110.191 175.141 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . 70.9 mt -133.14 126.32 52.91 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.634 0 C-N-CA 127.241 2.216 . . . . 10.0 107.804 -178.058 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 23.2 t0 -83.96 86.18 7.22 Favored 'General case' 0 CA--C 1.537 0.473 0 CA-C-O 122.026 0.917 . . . . 10.0 110.223 170.037 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 21' ' ' PHE . . . . . . . . . . . . . 86.3 m-85 -62.08 -46.4 89.24 Favored 'General case' 0 CA--C 1.539 0.543 0 C-N-CA 125.999 1.72 . . . . 10.0 110.944 170.32 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 132.7 162.65 10.34 Favored Glycine 0 CA--C 1.532 1.141 0 C-N-CA 127.359 2.409 . . . . 10.0 110.36 -169.578 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -42.96 -55.75 3.61 Favored 'General case' 0 CA--C 1.545 0.787 0 N-CA-C 115.414 1.635 . . . . 10.0 115.414 -169.805 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 8.4 mm-40 -64.12 -50.13 69.47 Favored 'General case' 0 N--CA 1.473 0.704 0 O-C-N 121.508 -0.745 . . . . 10.0 112.112 178.401 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -64.51 -39.6 96.97 Favored Glycine 0 CA--C 1.529 0.945 0 C-N-CA 124.291 0.948 . . . . 10.0 114.002 -177.058 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 89.3 m-20 -56.56 -51.14 69.73 Favored 'General case' 0 CA--C 1.535 0.392 0 C-N-CA 125.904 1.682 . . . . 10.0 110.251 172.937 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 69.3 mtm180 -63.72 -43.2 97.24 Favored 'General case' 0 N--CA 1.474 0.767 0 C-N-CA 123.599 0.76 . . . . 10.0 112.03 177.836 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 28' ' ' TYR . . . . . . . . . . . . . 77.0 t80 -59.54 -53.47 57.75 Favored 'General case' 0 CA--C 1.537 0.474 0 C-N-CA 123.996 0.918 . . . . 10.0 111.772 176.784 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 29' ' ' TYR . . . . . . . . . . . . . 77.4 t80 -57.12 -52.25 66.04 Favored 'General case' 0 CA--C 1.536 0.415 0 C-N-CA 124.752 1.221 . . . . 10.0 112.14 177.216 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -49.68 -36.6 25.59 Favored 'General case' 0 CA--C 1.547 0.836 0 N-CA-C 113.952 1.093 . . . . 10.0 113.952 176.813 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -85.36 -20.58 29.7 Favored 'General case' 0 CA--C 1.551 1.0 0 N-CA-C 115.219 1.563 . . . . 10.0 115.219 176.734 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 32' ' ' ASN . . . . . . . . . . . . . 60.9 m-80 -131.53 8.44 4.59 Favored 'General case' 0 N--CA 1.477 0.893 0 N-CA-C 116.65 2.093 . . . . 10.0 116.65 -169.185 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 33' ' ' TYR . . . . . . . . . . . . . 50.2 p90 -50.77 -29.64 12.06 Favored 'General case' 0 N--CA 1.478 0.971 0 C-N-CA 125.887 1.675 . . . . 10.0 115.269 -174.532 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 34' ' ' TRP . . . . . . . . . . . . . 64.8 p-90 -50.98 -34.64 29.85 Favored 'General case' 0 CA--C 1.545 0.781 0 C-N-CA 125.959 1.704 . . . . 10.0 114.335 173.335 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 31.3 mt-30 -70.46 -36.74 74.08 Favored 'General case' 0 N--CA 1.474 0.774 0 C-N-CA 124.676 1.191 . . . . 10.0 113.825 177.675 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 36' ' ' PHE . . . . . . . . . . . . . 78.0 m-85 -74.34 157.94 85.89 Favored Pre-proline 0 CA--C 1.546 0.812 0 C-N-CA 126.71 2.004 . . . . 10.0 114.976 -169.297 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 60.4 Cg_endo -73.37 156.55 50.4 Favored 'Trans proline' 0 CA--C 1.541 0.872 0 C-N-CA 123.719 2.946 . . . . 10.0 111.524 169.661 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 11.9 t70 -109.86 -38.28 5.4 Favored 'General case' 0 N--CA 1.473 0.676 0 C-N-CA 125.726 1.61 . . . . 10.0 111.03 171.232 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . -128.23 175.29 18.57 Favored Glycine 0 CA--C 1.535 1.312 0 C-N-CA 126.006 1.765 . . . . 10.0 111.993 169.795 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 40' ' ' ILE . . . . . . . . . . . . . 96.6 mt -135.32 125.61 43.78 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.679 0 C-N-CA 125.335 1.454 . . . . 10.0 108.524 174.611 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 41' ' ' TYR . . . . . . . . . . . . . 88.8 t80 -72.52 97.74 2.16 Favored 'General case' 0 CA--C 1.535 0.398 0 C-N-CA 124.222 1.009 . . . . 10.0 109.586 169.98 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 42' ' ' TYR . . . . . . . . . . . . . 63.4 t80 -150.73 133.31 15.68 Favored 'General case' 0 CA--C 1.534 0.362 0 C-N-CA 123.819 0.848 . . . . 10.0 111.337 174.675 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 48.7 mt-10 -128.97 64.98 1.45 Allowed 'General case' 0 CA--C 1.54 0.574 0 C-N-CA 125.747 1.619 . . . . 10.0 110.222 -175.764 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . -60.98 -44.85 97.67 Favored Glycine 0 CA--C 1.533 1.208 0 C-N-CA 125.22 1.391 . . . . 10.0 113.237 177.323 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 45' ' ' CYS . . . . . . . . . . . . . 56.7 m -61.11 135.49 57.78 Favored 'General case' 0 CA--C 1.541 0.605 0 C-N-CA 126.102 1.761 . . . . 10.0 113.757 179.404 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 22.8 t -147.3 -47.23 0.17 Allowed 'General case' 0 N--CA 1.473 0.675 0 C-N-CA 126.343 1.857 . . . . 10.0 111.218 176.907 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 11.4 pt-20 -137.06 158.53 44.25 Favored 'General case' 0 CA--C 1.542 0.641 0 C-N-CA 126.577 1.951 . . . . 10.0 111.852 179.71 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -52.61 -25.65 11.3 Favored 'General case' 0 CA--C 1.546 0.79 0 C-N-CA 126.202 1.801 . . . . 10.0 115.594 -175.206 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 74.6 m-20 -61.49 -30.78 70.83 Favored 'General case' 0 CA--C 1.544 0.738 0 C-N-CA 124.466 1.106 . . . . 10.0 113.27 174.07 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . 61.6 t -71.19 108.16 2.7 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.833 0 C-N-CA 124.359 1.064 . . . . 10.0 109.752 172.392 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 82.6 p -89.67 174.56 7.67 Favored 'General case' 0 N--CA 1.475 0.782 0 C-N-CA 124.78 1.232 . . . . 10.0 112.246 179.753 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 85.0 tttt -58.88 -57.04 14.79 Favored 'General case' 0 N--CA 1.472 0.628 0 C-N-CA 123.705 0.802 . . . . 10.0 111.434 169.807 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 12.2 pt-20 -51.79 -40.19 59.94 Favored 'General case' 0 N--CA 1.474 0.745 0 C-N-CA 124.412 1.085 . . . . 10.0 113.056 177.365 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 54' ' ' MET . . . . . . . . . . . . . 88.6 mtp -60.13 -54.17 49.13 Favored 'General case' 0 N--CA 1.47 0.573 0 C-N-CA 123.399 0.68 . . . . 10.0 111.492 169.331 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 8.3 tt -56.27 -49.74 73.38 Favored 'General case' 0 CA--C 1.533 0.309 0 CA-C-O 117.819 -1.086 . . . . 10.0 113.163 -178.977 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 22.6 t -55.58 -52.22 49.69 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.076 0 CA-C-N 120.431 1.468 . . . . 10.0 111.052 -177.455 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 57' ' ' THR . . . . . . . . . . . . . 31.8 m -59.99 -50.44 73.75 Favored 'General case' 0 N--CA 1.473 0.721 0 C-N-CA 124.976 1.311 . . . . 10.0 111.636 177.681 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 21.7 m -62.32 -38.4 89.29 Favored 'General case' 0 N--CA 1.472 0.627 0 C-N-CA 124.088 0.955 . . . . 10.0 112.569 179.676 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 59' ' ' CYS . . . . . . . . . . . . . 39.5 t -59.56 -50.05 75.41 Favored 'General case' 0 CA--C 1.534 0.355 0 C-N-CA 126.631 1.972 . . . . 10.0 112.253 173.427 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 60' ' ' VAL . . . . . . . . . . . . . 52.0 t -53.95 -50.01 56.14 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.028 0 CA-C-N 119.17 0.895 . . . . 10.0 111.37 171.74 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 61' ' ' ASN . . . . . . . . . . . . . 20.9 m-80 -58.79 -46.11 88.31 Favored 'General case' 0 CA--C 1.545 0.773 0 C-N-CA 124.58 1.152 . . . . 10.0 113.192 176.46 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -61.0 -47.58 85.82 Favored 'General case' 0 CA--C 1.537 0.479 0 C-N-CA 124.177 0.991 . . . . 10.0 111.271 175.179 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 63' ' ' THR . . . . . . . . . . . . . 31.0 m -55.18 -49.03 72.92 Favored 'General case' 0 N--CA 1.471 0.605 0 C-N-CA 125.287 1.435 . . . . 10.0 111.532 177.215 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 64' ' ' GLN . . . . . . . . . . . . . 66.5 mt-30 -49.56 -60.35 2.94 Favored 'General case' 0 N--CA 1.47 0.559 0 C-N-CA 124.821 1.248 . . . . 10.0 112.006 170.865 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -56.7 -42.05 78.43 Favored 'General case' 0 CA--C 1.544 0.724 0 C-N-CA 125.633 1.573 . . . . 10.0 113.817 -178.735 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -70.21 -46.5 64.41 Favored 'General case' 0 CA--C 1.54 0.574 0 C-N-CA 124.792 1.237 . . . . 10.0 113.879 -179.856 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 67' ' ' ASN . . . . . . . . . . . . . 9.7 m-80 -109.22 38.87 2.19 Favored 'General case' 0 CA--C 1.544 0.726 0 C-N-CA 124.445 1.098 . . . . 10.0 112.199 -169.692 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 68' ' ' GLN . . . . . . . . . . . . . 57.1 mt-30 -51.35 -48.07 62.57 Favored 'General case' 0 N--CA 1.471 0.622 0 C-N-CA 125.534 1.533 . . . . 10.0 112.912 -178.256 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -56.48 -46.33 80.49 Favored 'General case' 0 CA--C 1.543 0.684 0 C-N-CA 125.003 1.321 . . . . 10.0 113.32 179.724 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 8.1 mm-40 -56.07 -55.26 35.1 Favored 'General case' 0 N--CA 1.473 0.697 0 C-N-CA 124.986 1.314 . . . . 10.0 111.234 177.805 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 71' ' ' PHE . . . . . . . . . . . . . 25.2 m-85 -59.62 -50.58 73.33 Favored 'General case' 0 CA--C 1.536 0.441 0 C-N-CA 123.95 0.9 . . . . 10.0 112.0 176.603 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 70.4 m -54.61 -50.71 67.43 Favored 'General case' 0 N--CA 1.474 0.763 0 C-N-CA 125.206 1.403 . . . . 10.0 113.231 -179.487 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 73' ' ' ARG . . . . . . . . . . . . . 26.1 mtm105 -58.25 -53.55 57.06 Favored 'General case' 0 N--CA 1.475 0.818 0 C-N-CA 124.551 1.14 . . . . 10.0 112.41 177.017 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 42.1 mm-40 -69.45 -59.55 2.91 Favored 'General case' 0 CA--C 1.541 0.612 0 C-N-CA 124.28 1.032 . . . . 10.0 113.742 -175.896 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 85.5 tttt -46.17 -35.05 4.74 Favored 'General case' 0 N--CA 1.481 1.12 0 C-N-CA 127.65 2.38 . . . . 10.0 116.167 -169.701 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 76' ' ' GLN . . . . . . . . . . . . . 87.4 mm-40 -54.98 -27.61 45.35 Favored 'General case' 0 CA--C 1.546 0.802 0 C-N-CA 124.871 1.268 . . . . 10.0 114.252 176.999 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 32.2 t70 -135.76 -40.31 0.7 Allowed 'General case' 0 N--CA 1.475 0.778 0 C-N-CA 125.502 1.521 . . . . 10.0 113.549 -178.907 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -78.59 61.38 2.92 Favored 'General case' 0 CA--C 1.545 0.763 0 C-N-CA 127.714 2.406 . . . . 10.0 113.288 -169.993 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 88.0 tttt -53.75 -55.03 29.91 Favored 'General case' 0 N--CA 1.476 0.873 0 C-N-CA 126.826 2.05 . . . . 10.0 112.869 -176.853 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -55.58 -49.97 71.33 Favored 'General case' 0 N--CA 1.472 0.647 0 C-N-CA 124.95 1.3 . . . . 10.0 111.08 177.502 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 81' ' ' HIS . . . . . . . . . . . . . 13.0 t-160 -53.36 -54.0 42.94 Favored 'General case' 0 N--CA 1.468 0.451 0 C-N-CA 124.132 0.973 . . . . 10.0 112.147 -179.65 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 82' ' ' GLN . . . . . . . . . . . . . 93.7 mm-40 -50.87 -54.73 21.42 Favored 'General case' 0 N--CA 1.472 0.653 0 CA-C-N 118.891 0.769 . . . . 10.0 112.389 179.182 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 83' ' ' ARG . . . . . . . . . . . . . 3.6 tmt_? -50.59 -55.02 18.18 Favored 'General case' 0 N--CA 1.474 0.771 0 C-N-CA 125.043 1.337 . . . . 10.0 111.745 179.81 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 84' ' ' VAL . . . . . . . . . . . . . 44.7 t -60.43 -51.95 67.07 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.975 0 C-N-CA 126.085 1.754 . . . . 10.0 111.475 177.553 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 85' ' ' LEU . . . . . . . . . . . . . 50.3 tp -55.22 -49.19 72.59 Favored 'General case' 0 CA--C 1.537 0.478 0 C-N-CA 126.112 1.765 . . . . 10.0 112.722 179.016 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 86' ' ' TRP . . . . . . . . . . . . . 71.7 m95 -61.09 -42.63 98.86 Favored 'General case' 0 N--CA 1.468 0.471 0 N-CA-C 113.663 0.986 . . . . 10.0 113.663 175.678 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 87' ' ' ARG . . . . . . . . . . . . . 13.8 tpt180 -55.88 -50.21 71.26 Favored 'General case' 0 N--CA 1.475 0.778 0 CA-C-N 118.591 0.632 . . . . 10.0 111.267 169.895 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 88' ' ' LEU . . . . . . . . . . . . . 2.2 tt -55.55 -52.37 63.96 Favored 'General case' 0 CA--C 1.544 0.747 0 C-N-CA 124.78 1.232 . . . . 10.0 111.958 176.38 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 89' ' ' ILE . . . . . . . . . . . . . 72.9 mt -50.39 -51.05 19.64 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.703 0 C-N-CA 124.813 1.245 . . . . 10.0 110.938 173.742 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 39.4 ttmt -59.75 -44.84 93.65 Favored 'General case' 0 N--CA 1.472 0.66 0 C-N-CA 124.068 0.947 . . . . 10.0 113.27 176.242 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 76.7 mm-40 -52.24 -50.1 62.69 Favored 'General case' 0 N--CA 1.474 0.727 0 CA-C-N 119.74 1.154 . . . . 10.0 111.803 171.061 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 92' ' ' ILE . . . . . . . . . . . . . 97.4 mt -58.28 -56.23 17.41 Favored 'Isoleucine or valine' 0 N--CA 1.479 0.976 0 CA-C-N 119.422 1.01 . . . . 10.0 111.463 174.274 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 93' ' ' CYS . . . . . . . . . . . . . 92.4 m -56.74 -43.21 80.47 Favored 'General case' 0 CA--C 1.545 0.755 0 C-N-CA 124.715 1.206 . . . . 10.0 112.898 -177.399 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 78.9 p -71.43 -37.56 71.44 Favored 'General case' 0 N--CA 1.475 0.822 0 N-CA-C 114.219 1.192 . . . . 10.0 114.219 174.372 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . -64.16 -52.08 60.77 Favored 'General case' 0 CA--C 1.541 0.602 0 C-N-CA 124.324 1.049 . . . . 10.0 113.24 177.63 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 96' ' ' LYS . . . . . . . . . . . . . 6.9 ptmm? -60.51 136.08 57.94 Favored 'General case' 0 N--CA 1.478 0.956 0 C-N-CA 123.871 0.869 . . . . 10.0 112.792 -174.055 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 97' ' ' HIS . . . . . . . . . . . . . 10.7 m80 -124.37 168.24 13.29 Favored 'General case' 0 N--CA 1.481 1.082 0 C-N-CA 126.5 1.92 . . . . 10.0 113.254 -172.185 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 98' ' ' CYS . . . . . . . . . . . . . 57.2 m -127.64 138.03 52.71 Favored 'General case' 0 CA--C 1.538 0.512 0 C-N-CA 126.213 1.805 . . . . 10.0 111.857 -179.479 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 99' ' ' ASP . . . . . . . . . . . . . 31.5 t70 -57.97 -45.15 87.17 Favored 'General case' 0 N--CA 1.472 0.642 0 C-N-CA 125.423 1.489 . . . . 10.0 113.697 -173.177 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 100' ' ' PHE . . . . . . . . . . . . . 9.3 p90 -72.18 -12.13 61.04 Favored 'General case' 0 CA--C 1.542 0.671 0 N-CA-C 115.231 1.567 . . . . 10.0 115.231 -175.379 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 101' ' ' TRP . . . . . . . . . . . . . 32.3 m0 . . . . . 0 N--CA 1.474 0.763 0 CA-C-N 119.995 1.271 . . . . 10.0 112.792 -176.937 . . . . . . . . 0 0 . 1 . 016 nuclear orig core ' A' A ' 5' ' ' ASN . . . . . . . . . . . . . 49.2 t30 . . . . . 0 CA--C 1.55 0.952 0 CA-C-O 121.584 0.707 . . . . 10.0 111.804 . . . . . . . . . 0 0 . 1 . 016 nuclear orig core ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 12.3 ptp180 -76.28 151.14 83.34 Favored Pre-proline 0 N--CA 1.477 0.888 0 C-N-CA 124.901 1.281 . . . . 10.0 111.745 171.3 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 7' ' ' PRO . . . . . . . . . . . . . 74.0 Cg_exo -48.84 121.12 6.15 Favored 'Trans proline' 0 CA--C 1.539 0.75 0 C-N-CA 123.403 2.735 . . . . 10.0 112.341 172.377 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . 112.4 -18.16 23.24 Favored Glycine 0 CA--C 1.538 1.477 0 C-N-CA 126.597 2.046 . . . . 10.0 114.462 -170.482 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -61.36 134.11 56.56 Favored 'General case' 0 CA--C 1.546 0.8 0 CA-C-N 119.609 1.704 . . . . 10.0 113.019 -174.055 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 10' ' ' PHE . . . . . . . . . . . . . 23.0 m-85 -61.54 150.84 34.74 Favored 'General case' 0 CA--C 1.542 0.669 0 C-N-CA 124.042 0.937 . . . . 10.0 112.884 175.027 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 81.6 mt -123.94 116.27 47.49 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.426 0 C-N-CA 125.8 1.64 . . . . 10.0 106.836 169.655 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 92.3 mttt -123.68 106.89 10.91 Favored 'General case' 0 N--CA 1.472 0.659 0 C-N-CA 126.496 1.918 . . . . 10.0 110.284 -172.918 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 34.3 mt-30 -120.55 -0.89 10.19 Favored 'General case' 0 CA--C 1.545 0.763 0 C-N-CA 128.097 2.559 . . . . 10.0 112.595 -169.972 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . 66.75 37.17 92.17 Favored Glycine 0 CA--C 1.535 1.306 0 C-N-CA 125.133 1.349 . . . . 10.0 112.786 -174.116 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 33.0 ttp85 -103.91 93.96 5.16 Favored 'General case' 0 N--CA 1.471 0.62 0 C-N-CA 126.192 1.797 . . . . 10.0 110.893 -171.476 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 72.6 tttt -64.32 124.08 20.8 Favored 'General case' 0 N--CA 1.473 0.7 0 C-N-CA 125.765 1.626 . . . . 10.0 110.17 174.217 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 2.7 pp -134.5 165.91 24.09 Favored 'General case' 0 N--CA 1.474 0.736 0 C-N-CA 124.734 1.214 . . . . 10.0 113.569 -174.494 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 22.3 t70 -100.08 106.94 18.73 Favored 'General case' 0 CA--C 1.543 0.707 0 C-N-CA 124.711 1.205 . . . . 10.0 113.261 -169.663 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . 73.4 mt -135.78 131.13 50.12 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.778 0 C-N-CA 127.43 2.292 . . . . 10.0 108.076 172.409 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 22.4 t0 -87.48 85.45 7.12 Favored 'General case' 0 N--CA 1.471 0.577 0 CA-C-O 121.982 0.896 . . . . 10.0 110.683 171.457 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 21' ' ' PHE . . . . . . . . . . . . . 79.6 m-85 -63.48 -41.74 98.57 Favored 'General case' 0 CA--C 1.541 0.598 0 C-N-CA 126.725 2.01 . . . . 10.0 112.008 172.796 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 130.76 159.28 9.56 Favored Glycine 0 CA--C 1.532 1.139 0 C-N-CA 127.479 2.466 . . . . 10.0 110.303 -169.582 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -42.21 -57.11 2.64 Favored 'General case' 0 CA--C 1.547 0.851 0 N-CA-C 115.398 1.629 . . . . 10.0 115.398 -169.739 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 46.9 mt-10 -63.61 -48.04 78.96 Favored 'General case' 0 N--CA 1.474 0.773 0 C-N-CA 124.221 1.008 . . . . 10.0 112.284 178.754 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -65.17 -39.26 96.06 Favored Glycine 0 CA--C 1.532 1.142 0 C-N-CA 124.539 1.066 . . . . 10.0 114.183 -179.368 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 91.0 m-20 -57.11 -52.14 66.48 Favored 'General case' 0 CA--C 1.534 0.364 0 C-N-CA 125.995 1.718 . . . . 10.0 110.212 173.752 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 80.2 mtp180 -58.92 -46.47 87.84 Favored 'General case' 0 N--CA 1.474 0.751 0 C-N-CA 125.056 1.342 . . . . 10.0 111.691 176.103 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 28' ' ' TYR . . . . . . . . . . . . . 79.8 t80 -59.22 -54.62 44.77 Favored 'General case' 0 CA--C 1.536 0.415 0 C-N-CA 124.403 1.081 . . . . 10.0 111.976 178.106 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 29' ' ' TYR . . . . . . . . . . . . . 87.1 t80 -56.32 -51.4 68.38 Favored 'General case' 0 CA--C 1.535 0.39 0 C-N-CA 124.319 1.048 . . . . 10.0 112.324 175.662 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -51.1 -34.03 28.73 Favored 'General case' 0 CA--C 1.546 0.797 0 N-CA-C 113.678 0.992 . . . . 10.0 113.678 178.954 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -88.23 -28.55 21.07 Favored 'General case' 0 CA--C 1.552 1.035 0 C-N-CA 125.836 1.654 . . . . 10.0 115.087 176.026 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 32' ' ' ASN . . . . . . . . . . . . . 52.2 m-80 -124.41 12.47 8.75 Favored 'General case' 0 CA--C 1.548 0.9 0 N-CA-C 116.263 1.949 . . . . 10.0 116.263 -169.231 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 33' ' ' TYR . . . . . . . . . . . . . 53.4 p90 -47.91 -34.68 9.37 Favored 'General case' 0 N--CA 1.476 0.859 0 C-N-CA 126.828 2.051 . . . . 10.0 114.957 -177.21 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 34' ' ' TRP . . . . . . . . . . . . . 66.5 p-90 -49.89 -33.95 18.78 Favored 'General case' 0 CA--C 1.545 0.765 0 C-N-CA 126.356 1.862 . . . . 10.0 114.388 176.112 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 32.1 mt-30 -68.97 -38.58 79.45 Favored 'General case' 0 N--CA 1.472 0.654 0 C-N-CA 124.634 1.174 . . . . 10.0 113.756 177.575 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 36' ' ' PHE . . . . . . . . . . . . . 72.5 m-85 -73.64 151.6 89.24 Favored Pre-proline 0 CA--C 1.545 0.764 0 C-N-CA 126.161 1.784 . . . . 10.0 115.2 -169.008 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 83.1 Cg_endo -74.76 116.74 4.7 Favored 'Trans proline' 0 CA--C 1.537 0.652 0 C-N-CA 123.692 2.928 . . . . 10.0 108.898 168.798 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 4.2 p30 -80.57 -30.3 37.0 Favored 'General case' 0 N--CA 1.473 0.687 0 O-C-N 121.353 -0.842 . . . . 10.0 111.764 173.877 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . -124.55 167.42 16.88 Favored Glycine 0 CA--C 1.536 1.355 0 C-N-CA 125.037 1.303 . . . . 10.0 111.742 169.194 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 40' ' ' ILE . . . . . . . . . . . . . 86.0 mt -138.66 125.19 25.25 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.764 0 C-N-CA 124.947 1.299 . . . . 10.0 108.442 172.509 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 41' ' ' TYR . . . . . . . . . . . . . 75.0 t80 -71.85 102.94 3.0 Favored 'General case' 0 CA--C 1.536 0.424 0 C-N-CA 123.695 0.798 . . . . 10.0 109.832 169.892 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 42' ' ' TYR . . . . . . . . . . . . . 87.4 t80 -156.61 137.56 13.51 Favored 'General case' 0 C--O 1.236 0.361 0 C-N-CA 124.878 1.271 . . . . 10.0 110.172 173.171 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 45.4 mt-10 -133.01 76.16 1.67 Allowed 'General case' 0 CA--C 1.54 0.558 0 C-N-CA 125.569 1.548 . . . . 10.0 110.494 -175.245 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . -72.48 -30.42 64.48 Favored Glycine 0 CA--C 1.535 1.293 0 C-N-CA 125.091 1.329 . . . . 10.0 114.235 -179.782 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 45' ' ' CYS . . . . . . . . . . . . . 74.7 m -58.29 121.14 10.04 Favored 'General case' 0 CA--C 1.543 0.688 0 C-N-CA 125.858 1.663 . . . . 10.0 112.796 -178.137 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 16.5 p -139.94 -59.47 0.55 Allowed 'General case' 0 N--CA 1.473 0.693 0 C-N-CA 126.189 1.796 . . . . 10.0 111.855 176.912 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 11.9 pt-20 -144.91 156.1 43.8 Favored 'General case' 0 N--CA 1.473 0.693 0 C-N-CA 125.679 1.592 . . . . 10.0 112.79 179.679 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -55.05 -23.02 18.02 Favored 'General case' 0 CA--C 1.543 0.704 0 N-CA-C 115.742 1.756 . . . . 10.0 115.742 -175.414 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 73.9 m-20 -59.57 -31.39 69.4 Favored 'General case' 0 CA--C 1.545 0.77 0 C-N-CA 123.774 0.83 . . . . 10.0 112.944 171.943 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . 60.4 t -67.84 109.88 1.75 Allowed 'Isoleucine or valine' 0 N--CA 1.474 0.758 0 C-N-CA 124.717 1.207 . . . . 10.0 109.345 169.89 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 41.9 p -80.7 172.01 14.3 Favored 'General case' 0 N--CA 1.475 0.784 0 C-N-CA 123.591 0.756 . . . . 10.0 111.513 174.452 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 83.8 tttt -60.53 -49.56 77.08 Favored 'General case' 0 N--CA 1.471 0.599 0 O-C-N 121.368 -0.832 . . . . 10.0 111.429 169.823 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 44.4 mt-10 -51.58 -47.77 63.39 Favored 'General case' 0 N--CA 1.473 0.705 0 C-N-CA 123.849 0.86 . . . . 10.0 112.216 175.756 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 54' ' ' MET . . . . . . . . . . . . . 94.8 mtp -55.29 -55.61 29.49 Favored 'General case' 0 N--CA 1.469 0.485 0 C-N-CA 124.098 0.959 . . . . 10.0 112.228 171.303 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 9.5 tt -58.54 -54.02 51.79 Favored 'General case' 0 N--CA 1.466 0.374 0 C-N-CA 123.954 0.901 . . . . 10.0 112.883 -177.746 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 29.3 t -58.87 -45.98 91.42 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.922 0 C-N-CA 124.034 0.934 . . . . 10.0 110.732 -177.238 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 57' ' ' THR . . . . . . . . . . . . . 61.4 m -57.62 -51.75 68.25 Favored 'General case' 0 N--CA 1.477 0.886 0 C-N-CA 124.367 1.067 . . . . 10.0 111.919 172.77 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 48.6 m -60.2 -40.93 91.81 Favored 'General case' 0 N--CA 1.474 0.75 0 C-N-CA 124.522 1.129 . . . . 10.0 112.683 179.057 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 59' ' ' CYS . . . . . . . . . . . . . 43.0 t -59.39 -50.24 74.74 Favored 'General case' 0 CA--C 1.536 0.436 0 C-N-CA 126.204 1.801 . . . . 10.0 112.381 172.991 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 60' ' ' VAL . . . . . . . . . . . . . 39.9 t -56.34 -43.84 78.26 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.95 0 C-N-CA 124.488 1.115 . . . . 10.0 111.785 172.638 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 61' ' ' ASN . . . . . . . . . . . . . 12.6 m-80 -61.31 -47.27 86.71 Favored 'General case' 0 CA--C 1.544 0.724 0 C-N-CA 124.414 1.086 . . . . 10.0 112.956 173.26 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -60.09 -46.5 89.4 Favored 'General case' 0 CA--C 1.537 0.473 0 C-N-CA 124.251 1.02 . . . . 10.0 111.496 175.968 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 63' ' ' THR . . . . . . . . . . . . . 30.9 m -55.04 -50.94 67.84 Favored 'General case' 0 N--CA 1.473 0.695 0 C-N-CA 125.264 1.425 . . . . 10.0 111.369 176.356 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 64' ' ' GLN . . . . . . . . . . . . . 42.2 mt-30 -51.21 -59.49 4.14 Favored 'General case' 0 CA--C 1.539 0.533 0 C-N-CA 124.222 1.009 . . . . 10.0 111.663 171.927 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -55.7 -42.85 75.83 Favored 'General case' 0 CA--C 1.544 0.727 0 C-N-CA 126.06 1.744 . . . . 10.0 113.971 -177.405 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -69.26 -34.95 75.56 Favored 'General case' 0 CA--C 1.544 0.716 0 C-N-CA 124.692 1.197 . . . . 10.0 113.984 178.543 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 67' ' ' ASN . . . . . . . . . . . . . 11.5 m-80 -122.68 41.09 3.53 Favored 'General case' 0 CA--C 1.548 0.899 0 C-N-CA 124.281 1.032 . . . . 10.0 112.568 -170.2 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 68' ' ' GLN . . . . . . . . . . . . . 61.4 mt-30 -55.63 -54.14 47.78 Favored 'General case' 0 N--CA 1.475 0.776 0 C-N-CA 125.398 1.479 . . . . 10.0 112.923 -174.468 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -55.89 -45.82 78.49 Favored 'General case' 0 CA--C 1.541 0.598 0 C-N-CA 124.828 1.251 . . . . 10.0 112.612 -179.677 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 21.7 mp0 -57.19 -54.58 45.13 Favored 'General case' 0 CA--C 1.537 0.47 0 C-N-CA 125.688 1.595 . . . . 10.0 111.381 -179.631 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 71' ' ' PHE . . . . . . . . . . . . . 47.2 m-85 -58.93 -53.17 61.38 Favored 'General case' 0 N--CA 1.468 0.451 0 C-N-CA 123.687 0.795 . . . . 10.0 112.264 174.043 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 32.2 t -52.11 -57.77 8.57 Favored 'General case' 0 N--CA 1.469 0.518 0 C-N-CA 125.352 1.461 . . . . 10.0 112.638 -177.357 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 73' ' ' ARG . . . . . . . . . . . . . 76.2 mtp85 -56.9 -49.08 76.66 Favored 'General case' 0 N--CA 1.476 0.833 0 C-N-CA 125.831 1.652 . . . . 10.0 112.664 179.942 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 50.9 tp10 -57.92 -55.24 37.43 Favored 'General case' 0 CA--C 1.543 0.682 0 C-N-CA 124.903 1.281 . . . . 10.0 111.913 177.654 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 61.3 tttm -58.4 -19.84 39.32 Favored 'General case' 0 N--CA 1.475 0.814 0 C-N-CA 127.115 2.166 . . . . 10.0 115.109 -176.707 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 76' ' ' GLN . . . . . . . . . . . . . 76.9 mm-40 -55.53 -36.09 66.39 Favored 'General case' 0 N--CA 1.476 0.858 0 CA-C-N 119.514 1.052 . . . . 10.0 113.175 172.966 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 31.8 t70 -126.01 -41.42 1.95 Allowed 'General case' 0 CA--C 1.542 0.66 0 C-N-CA 125.552 1.541 . . . . 10.0 113.056 -174.467 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 1.8 t -66.65 145.13 55.9 Favored 'General case' 0 CA--C 1.537 0.476 0 C-N-CA 125.451 1.5 . . . . 10.0 113.536 -175.798 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 65.4 tttm -121.33 -77.76 0.59 Allowed 'General case' 0 N--CA 1.476 0.844 0 C-N-CA 125.838 1.655 . . . . 10.0 111.944 -178.104 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 51.8 tp -56.3 -40.91 75.08 Favored 'General case' 0 N--CA 1.473 0.702 0 C-N-CA 124.801 1.241 . . . . 10.0 112.654 -177.83 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 81' ' ' HIS . . . . . . . . . . . . . 13.9 t-160 -49.78 -51.66 37.67 Favored 'General case' 0 N--CA 1.47 0.535 0 C-N-CA 123.916 0.887 . . . . 10.0 112.252 -178.523 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 82' ' ' GLN . . . . . . . . . . . . . 99.2 mm-40 -50.49 -54.39 22.59 Favored 'General case' 0 N--CA 1.472 0.634 0 C-N-CA 124.682 1.193 . . . . 10.0 112.118 177.999 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 83' ' ' ARG . . . . . . . . . . . . . 53.2 tpt85 -53.27 -47.22 69.3 Favored 'General case' 0 N--CA 1.477 0.9 0 C-N-CA 124.876 1.27 . . . . 10.0 112.973 -179.765 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 84' ' ' VAL . . . . . . . . . . . . . 25.2 t -67.27 -52.65 40.33 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.864 0 C-N-CA 125.959 1.703 . . . . 10.0 110.939 177.088 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 85' ' ' LEU . . . . . . . . . . . . . 56.1 tp -54.46 -51.32 65.35 Favored 'General case' 0 N--CA 1.467 0.422 0 C-N-CA 127.096 2.158 . . . . 10.0 112.559 -179.568 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 86' ' ' TRP . . . . . . . . . . . . . 73.7 m95 -60.72 -43.63 97.63 Favored 'General case' 0 N--CA 1.465 0.309 0 N-CA-C 113.456 0.91 . . . . 10.0 113.456 176.684 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 87' ' ' ARG . . . . . . . . . . . . . 13.8 tpt180 -54.23 -49.3 69.77 Favored 'General case' 0 N--CA 1.476 0.834 0 CA-C-N 118.981 0.809 . . . . 10.0 111.183 170.186 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 88' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -55.4 -51.26 67.44 Favored 'General case' 0 CA--C 1.545 0.752 0 C-N-CA 124.354 1.062 . . . . 10.0 112.145 175.851 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 89' ' ' ILE . . . . . . . . . . . . . 90.7 mt -52.61 -52.51 26.31 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.738 0 C-N-CA 124.683 1.193 . . . . 10.0 110.931 173.962 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 12.5 mptt -55.3 -48.31 74.28 Favored 'General case' 0 N--CA 1.476 0.832 0 CA-C-N 119.2 0.909 . . . . 10.0 113.057 174.871 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 62.5 mm-40 -54.22 -49.31 69.71 Favored 'General case' 0 N--CA 1.473 0.719 0 CA-C-N 119.462 1.028 . . . . 10.0 112.128 175.013 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 92' ' ' ILE . . . . . . . . . . . . . 96.7 mt -57.64 -52.71 54.08 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.863 0 C-N-CA 124.0 0.92 . . . . 10.0 111.364 173.629 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 93' ' ' CYS . . . . . . . . . . . . . 68.3 m -57.61 -41.13 80.64 Favored 'General case' 0 CA--C 1.546 0.824 0 C-N-CA 124.33 1.052 . . . . 10.0 112.689 179.72 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 33.1 t -60.05 -47.09 87.32 Favored 'General case' 0 N--CA 1.473 0.678 0 C-N-CA 126.373 1.869 . . . . 10.0 112.682 170.728 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . -60.52 -40.07 90.11 Favored 'General case' 0 CA--C 1.544 0.735 0 C-N-CA 125.425 1.49 . . . . 10.0 114.555 -175.218 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 96' ' ' LYS . . . . . . . . . . . . . 1.2 ptpm? -72.52 55.51 0.35 Allowed 'General case' 0 N--CA 1.485 1.321 0 C-N-CA 125.896 1.678 . . . . 10.0 113.948 -179.781 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 97' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -64.4 143.44 57.9 Favored 'General case' 0 N--CA 1.472 0.67 0 C-N-CA 126.889 2.076 . . . . 10.0 113.903 -179.173 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 98' ' ' CYS . . . . . . . . . . . . . 55.8 m -80.53 140.29 35.91 Favored 'General case' 0 CA--C 1.539 0.522 0 C-N-CA 123.635 0.774 . . . . 10.0 112.8 178.077 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 99' ' ' ASP . . . . . . . . . . . . . 32.1 t70 -62.48 -39.43 93.43 Favored 'General case' 0 CA--C 1.543 0.703 0 C-N-CA 124.866 1.266 . . . . 10.0 113.015 176.409 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 100' ' ' PHE . . . . . . . . . . . . . 7.0 p90 -69.15 -15.45 63.41 Favored 'General case' 0 CA--C 1.543 0.701 0 N-CA-C 115.449 1.648 . . . . 10.0 115.449 -177.12 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 101' ' ' TRP . . . . . . . . . . . . . 46.6 m0 . . . . . 0 N--CA 1.474 0.731 0 CA-C-N 119.917 1.235 . . . . 10.0 111.497 175.905 . . . . . . . . 0 0 . 1 . 017 nuclear orig core ' A' A ' 5' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER . . . . . 0 CA--C 1.547 0.838 0 CA-C-O 121.829 0.823 . . . . 10.0 109.478 . . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 7.9 ptm180 -69.66 159.89 81.95 Favored Pre-proline 0 N--CA 1.477 0.883 0 C-N-CA 125.099 1.36 . . . . 10.0 112.631 174.632 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 7' ' ' PRO . . . . . . . . . . . . . 87.9 Cg_exo -47.61 122.78 7.29 Favored 'Trans proline' 0 CA--C 1.538 0.683 0 C-N-CA 123.608 2.872 . . . . 10.0 112.326 169.915 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . 115.75 -21.22 12.71 Favored Glycine 0 CA--C 1.537 1.459 0 C-N-CA 127.326 2.393 . . . . 10.0 113.69 -169.851 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -60.44 134.44 57.07 Favored 'General case' 0 CA--C 1.546 0.807 0 CA-C-N 119.465 1.632 . . . . 10.0 113.462 -172.117 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 10' ' ' PHE . . . . . . . . . . . . . 20.5 m-85 -60.86 148.96 37.62 Favored 'General case' 0 CA--C 1.542 0.638 0 C-N-CA 124.156 0.982 . . . . 10.0 113.262 174.742 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 66.1 mt -122.45 97.22 4.63 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.504 0 C-N-CA 126.118 1.767 . . . . 10.0 107.111 169.654 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 93.0 mttt -92.17 85.44 5.46 Favored 'General case' 0 N--CA 1.473 0.697 0 C-N-CA 125.049 1.34 . . . . 10.0 111.197 -176.407 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 27.2 mt-30 -76.94 -27.75 54.96 Favored 'General case' 0 N--CA 1.473 0.676 0 C-N-CA 123.624 0.77 . . . . 10.0 111.339 169.729 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . 76.88 17.42 79.86 Favored Glycine 0 CA--C 1.536 1.369 0 C-N-CA 125.044 1.307 . . . . 10.0 113.993 -179.052 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 38.6 ttp180 -69.77 132.31 45.89 Favored 'General case' 0 N--CA 1.47 0.574 0 C-N-CA 126.562 1.945 . . . . 10.0 110.727 176.29 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 73.6 tttt -77.27 99.53 5.53 Favored 'General case' 0 N--CA 1.473 0.698 0 C-N-CA 124.983 1.313 . . . . 10.0 110.691 178.287 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 90.7 mt -74.1 174.89 8.03 Favored 'General case' 0 CA--C 1.544 0.748 0 C-N-CA 126.014 1.726 . . . . 10.0 112.854 -178.783 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 19.2 t0 -125.4 93.84 3.98 Favored 'General case' 0 CA--C 1.542 0.635 0 C-N-CA 125.94 1.696 . . . . 10.0 110.337 174.789 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . 85.7 mt -134.37 134.69 54.71 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.693 0 C-N-CA 127.411 2.285 . . . . 10.0 108.602 -179.11 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 24.2 t0 -85.97 101.12 12.62 Favored 'General case' 0 CA--C 1.537 0.474 0 CA-C-O 121.823 0.821 . . . . 10.0 109.226 169.247 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 21' ' ' PHE . . . . . . . . . . . . . 82.3 m-85 -80.41 -36.86 33.2 Favored 'General case' 0 CA--C 1.539 0.548 0 C-N-CA 126.594 1.957 . . . . 10.0 111.521 171.82 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 124.15 165.71 12.3 Favored Glycine 0 CA--C 1.534 1.259 0 C-N-CA 127.463 2.459 . . . . 10.0 110.698 -169.731 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -48.58 -47.14 39.88 Favored 'General case' 0 CA--C 1.545 0.788 0 N-CA-C 115.266 1.58 . . . . 10.0 115.266 -170.195 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 35.3 mt-10 -62.68 -55.45 26.69 Favored 'General case' 0 N--CA 1.473 0.687 0 C-N-CA 125.82 1.648 . . . . 10.0 111.498 175.333 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -68.69 -36.86 83.74 Favored Glycine 0 CA--C 1.528 0.894 0 C-N-CA 125.031 1.3 . . . . 10.0 114.141 -173.793 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 91.3 m-20 -57.26 -51.15 70.52 Favored 'General case' 0 CA--C 1.536 0.409 0 C-N-CA 125.476 1.511 . . . . 10.0 109.997 173.799 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 77.2 mtt85 -59.98 -47.48 85.66 Favored 'General case' 0 N--CA 1.477 0.876 0 C-N-CA 124.369 1.067 . . . . 10.0 112.127 175.462 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 28' ' ' TYR . . . . . . . . . . . . . 75.5 t80 -59.36 -54.42 46.99 Favored 'General case' 0 CA--C 1.536 0.435 0 C-N-CA 124.246 1.019 . . . . 10.0 112.407 178.526 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 29' ' ' TYR . . . . . . . . . . . . . 77.1 t80 -56.63 -50.94 70.55 Favored 'General case' 0 CA--C 1.533 0.323 0 C-N-CA 124.692 1.197 . . . . 10.0 112.104 177.785 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -49.65 -31.59 11.27 Favored 'General case' 0 CA--C 1.547 0.836 0 N-CA-C 114.089 1.144 . . . . 10.0 114.089 176.545 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -92.26 -25.93 18.39 Favored 'General case' 0 CA--C 1.552 1.04 0 C-N-CA 126.086 1.754 . . . . 10.0 115.17 176.812 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 32' ' ' ASN . . . . . . . . . . . . . 57.7 m-80 -124.96 6.76 7.98 Favored 'General case' 0 N--CA 1.478 0.97 0 N-CA-C 116.238 1.94 . . . . 10.0 116.238 -169.314 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 33' ' ' TYR . . . . . . . . . . . . . 52.3 p90 -45.04 -36.18 3.37 Favored 'General case' 0 N--CA 1.477 0.886 0 C-N-CA 127.461 2.304 . . . . 10.0 115.375 -176.841 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 34' ' ' TRP . . . . . . . . . . . . . 62.5 p-90 -49.83 -35.25 22.34 Favored 'General case' 0 CA--C 1.546 0.804 0 C-N-CA 126.466 1.906 . . . . 10.0 114.688 176.628 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 32.0 mt-30 -70.2 -35.47 73.95 Favored 'General case' 0 N--CA 1.475 0.819 0 N-CA-C 114.244 1.202 . . . . 10.0 114.244 179.139 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 36' ' ' PHE . . . . . . . . . . . . . 76.8 m-85 -72.65 155.05 91.27 Favored Pre-proline 0 CA--C 1.544 0.749 0 C-N-CA 126.331 1.852 . . . . 10.0 115.341 -168.945 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 83.8 Cg_endo -73.41 135.15 21.84 Favored 'Trans proline' 0 CA--C 1.541 0.861 0 C-N-CA 123.492 2.795 . . . . 10.0 110.241 169.457 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 5.4 t70 -86.08 -37.15 19.16 Favored 'General case' 0 CA--C 1.541 0.633 0 C-N-CA 124.875 1.27 . . . . 10.0 111.381 171.615 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . -133.19 173.93 20.84 Favored Glycine 0 CA--C 1.531 1.082 0 C-N-CA 125.788 1.661 . . . . 10.0 112.161 173.273 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 40' ' ' ILE . . . . . . . . . . . . . 96.1 mt -135.84 123.82 36.56 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.575 0 C-N-CA 125.216 1.406 . . . . 10.0 108.32 175.887 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 41' ' ' TYR . . . . . . . . . . . . . 85.9 t80 -70.44 105.7 3.15 Favored 'General case' 0 CA--C 1.535 0.375 0 C-N-CA 124.907 1.283 . . . . 10.0 109.704 172.695 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 42' ' ' TYR . . . . . . . . . . . . . 61.3 t80 -152.47 144.12 23.51 Favored 'General case' 0 CA--C 1.538 0.482 0 C-N-CA 123.773 0.829 . . . . 10.0 111.934 179.263 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 53.2 mt-10 -132.71 84.07 2.12 Favored 'General case' 0 N--CA 1.471 0.614 0 C-N-CA 125.806 1.643 . . . . 10.0 110.362 -176.83 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . -84.19 -56.84 2.48 Favored Glycine 0 CA--C 1.534 1.23 0 C-N-CA 124.961 1.267 . . . . 10.0 113.624 -176.466 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 45' ' ' CYS . . . . . . . . . . . . . 20.0 m -63.46 141.9 58.59 Favored 'General case' 0 CA--C 1.54 0.586 0 C-N-CA 125.524 1.53 . . . . 10.0 114.14 -176.24 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 50.5 p -145.52 -52.61 0.27 Allowed 'General case' 0 N--CA 1.471 0.62 0 C-N-CA 126.769 2.027 . . . . 10.0 111.362 178.343 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 11.2 pt-20 -139.63 162.14 35.82 Favored 'General case' 0 CA--C 1.542 0.65 0 C-N-CA 126.822 2.049 . . . . 10.0 112.454 178.58 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -51.3 -28.51 12.24 Favored 'General case' 0 CA--C 1.545 0.771 0 C-N-CA 126.56 1.944 . . . . 10.0 115.769 -174.891 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 72.0 m-20 -62.2 -29.82 70.64 Favored 'General case' 0 CA--C 1.546 0.798 0 C-N-CA 124.516 1.126 . . . . 10.0 113.503 175.515 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . 59.4 t -69.95 112.33 4.66 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.882 0 C-N-CA 124.627 1.171 . . . . 10.0 109.75 172.97 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 34.5 p -90.24 172.94 8.43 Favored 'General case' 0 N--CA 1.478 0.959 0 C-N-CA 123.862 0.865 . . . . 10.0 112.321 -179.842 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 82.2 tttt -62.27 -48.38 80.17 Favored 'General case' 0 N--CA 1.472 0.648 0 O-C-N 121.411 -0.806 . . . . 10.0 111.679 169.765 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 44.7 mt-10 -52.6 -46.22 66.87 Favored 'General case' 0 N--CA 1.473 0.677 0 C-N-CA 124.157 0.983 . . . . 10.0 112.072 175.65 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 54' ' ' MET . . . . . . . . . . . . . 94.0 mtp -55.82 -58.81 6.29 Favored 'General case' 0 CA--C 1.536 0.439 0 C-N-CA 124.121 0.968 . . . . 10.0 111.832 169.975 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 9.7 tt -58.18 -54.23 49.37 Favored 'General case' 0 CA--C 1.535 0.383 0 C-N-CA 124.253 1.021 . . . . 10.0 113.37 -174.729 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 84.5 t -56.03 -48.78 78.34 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.918 0 C-N-CA 124.947 1.299 . . . . 10.0 110.627 -177.312 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 57' ' ' THR . . . . . . . . . . . . . 35.4 m -61.63 -49.14 77.77 Favored 'General case' 0 N--CA 1.476 0.87 0 C-N-CA 124.761 1.225 . . . . 10.0 111.822 175.817 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 49.3 m -60.7 -37.61 82.24 Favored 'General case' 0 N--CA 1.472 0.643 0 C-N-CA 124.206 1.003 . . . . 10.0 112.591 178.286 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 59' ' ' CYS . . . . . . . . . . . . . 31.6 t -58.12 -50.39 73.66 Favored 'General case' 0 CA--C 1.538 0.518 0 C-N-CA 125.951 1.7 . . . . 10.0 112.425 171.58 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 60' ' ' VAL . . . . . . . . . . . . . 50.6 t -56.31 -43.53 77.22 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.122 0 O-C-N 121.172 -0.955 . . . . 10.0 111.96 173.19 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 61' ' ' ASN . . . . . . . . . . . . . 19.2 m-80 -63.29 -46.5 86.46 Favored 'General case' 0 CA--C 1.544 0.739 0 C-N-CA 124.481 1.113 . . . . 10.0 112.967 174.43 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -60.65 -45.13 95.24 Favored 'General case' 0 CA--C 1.537 0.472 0 C-N-CA 124.554 1.141 . . . . 10.0 111.488 176.271 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 63' ' ' THR . . . . . . . . . . . . . 29.1 m -55.78 -48.59 75.05 Favored 'General case' 0 N--CA 1.472 0.632 0 C-N-CA 125.16 1.384 . . . . 10.0 111.558 177.072 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 64' ' ' GLN . . . . . . . . . . . . . 42.6 mt-30 -51.24 -59.22 4.44 Favored 'General case' 0 N--CA 1.469 0.487 0 C-N-CA 124.108 0.963 . . . . 10.0 111.666 171.463 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -56.36 -42.82 78.42 Favored 'General case' 0 CA--C 1.546 0.789 0 C-N-CA 125.898 1.679 . . . . 10.0 114.025 -178.221 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -68.8 -42.71 76.96 Favored 'General case' 0 CA--C 1.542 0.639 0 C-N-CA 125.044 1.338 . . . . 10.0 114.022 178.377 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 67' ' ' ASN . . . . . . . . . . . . . 8.4 m-80 -114.89 37.27 3.52 Favored 'General case' 0 CA--C 1.544 0.718 0 C-N-CA 124.21 1.004 . . . . 10.0 112.583 -169.849 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 68' ' ' GLN . . . . . . . . . . . . . 60.3 mt-30 -50.16 -52.77 32.63 Favored 'General case' 0 N--CA 1.474 0.744 0 C-N-CA 125.921 1.688 . . . . 10.0 112.224 -179.342 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -51.55 -52.01 50.69 Favored 'General case' 0 CA--C 1.54 0.575 0 C-N-CA 125.286 1.434 . . . . 10.0 112.742 178.538 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 6.4 mm-40 -57.19 -48.21 79.34 Favored 'General case' 0 N--CA 1.473 0.693 0 C-N-CA 124.996 1.318 . . . . 10.0 112.847 -179.259 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 71' ' ' PHE . . . . . . . . . . . . . 37.0 m-85 -60.67 -58.26 9.23 Favored 'General case' 0 CA--C 1.537 0.472 0 C-N-CA 122.797 0.439 . . . . 10.0 111.409 174.27 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 66.7 m -56.11 -51.51 67.67 Favored 'General case' 0 N--CA 1.472 0.643 0 C-N-CA 125.231 1.412 . . . . 10.0 114.047 -176.551 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 73' ' ' ARG . . . . . . . . . . . . . 7.1 ppt_? -58.84 -46.13 88.41 Favored 'General case' 0 N--CA 1.479 0.993 0 C-N-CA 124.605 1.162 . . . . 10.0 113.142 -176.472 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 18.2 mt-10 -64.98 -52.12 57.98 Favored 'General case' 0 N--CA 1.467 0.416 0 C-N-CA 123.822 0.849 . . . . 10.0 112.851 173.25 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 58.5 tptt -48.41 -26.67 2.2 Favored 'General case' 0 N--CA 1.482 1.143 0 C-N-CA 126.875 2.07 . . . . 10.0 115.188 -175.33 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 76' ' ' GLN . . . . . . . . . . . . . 73.0 mm-40 -53.34 -32.45 49.16 Favored 'General case' 0 CA--C 1.546 0.803 0 C-N-CA 124.711 1.204 . . . . 10.0 113.8 172.873 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 32.1 t70 -135.25 -44.27 0.7 Allowed 'General case' 0 CA--C 1.545 0.766 0 C-N-CA 126.061 1.744 . . . . 10.0 113.223 -176.051 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 6.8 t -62.19 135.97 57.73 Favored 'General case' 0 N--CA 1.47 0.545 0 C-N-CA 126.546 1.939 . . . . 10.0 112.647 -179.499 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 40.3 ttpt -120.4 -76.38 0.58 Allowed 'General case' 0 N--CA 1.476 0.837 0 C-N-CA 125.817 1.647 . . . . 10.0 111.751 -174.337 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 42.6 tp -57.74 -38.18 74.89 Favored 'General case' 0 N--CA 1.471 0.611 0 C-N-CA 124.508 1.123 . . . . 10.0 112.851 -177.288 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 81' ' ' HIS . . . . . . . . . . . . . 16.9 t-160 -50.43 -48.57 56.25 Favored 'General case' 0 N--CA 1.471 0.577 0 CA-C-N 118.959 0.8 . . . . 10.0 112.55 -178.886 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 82' ' ' GLN . . . . . . . . . . . . . 87.8 mm-40 -51.73 -52.67 46.75 Favored 'General case' 0 N--CA 1.471 0.601 0 C-N-CA 124.641 1.176 . . . . 10.0 111.974 -179.89 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 83' ' ' ARG . . . . . . . . . . . . . 76.6 mtp180 -51.13 -55.37 18.12 Favored 'General case' 0 N--CA 1.48 1.065 0 C-N-CA 125.453 1.501 . . . . 10.0 111.748 178.006 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 84' ' ' VAL . . . . . . . . . . . . . 18.8 t -60.45 -52.93 55.71 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.807 0 C-N-CA 126.086 1.755 . . . . 10.0 111.121 178.801 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 85' ' ' LEU . . . . . . . . . . . . . 49.0 tp -54.31 -49.8 68.83 Favored 'General case' 0 CA--C 1.538 0.49 0 C-N-CA 126.5 1.92 . . . . 10.0 112.619 178.706 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 86' ' ' TRP . . . . . . . . . . . . . 68.0 m95 -61.81 -43.31 99.11 Favored 'General case' 0 N--CA 1.469 0.523 0 N-CA-C 113.845 1.054 . . . . 10.0 113.845 176.363 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 87' ' ' ARG . . . . . . . . . . . . . 26.2 tpt180 -55.17 -47.93 74.5 Favored 'General case' 0 N--CA 1.476 0.854 0 C-N-CA 123.529 0.732 . . . . 10.0 111.396 169.971 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 88' ' ' LEU . . . . . . . . . . . . . 1.3 tt -57.91 -54.39 47.45 Favored 'General case' 0 CA--C 1.546 0.794 0 C-N-CA 124.677 1.191 . . . . 10.0 112.139 175.117 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 89' ' ' ILE . . . . . . . . . . . . . 76.5 mt -50.14 -51.63 16.85 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.855 0 C-N-CA 125.202 1.401 . . . . 10.0 110.86 174.617 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 86.5 tttt -58.82 -45.59 89.64 Favored 'General case' 0 N--CA 1.469 0.482 0 C-N-CA 124.11 0.964 . . . . 10.0 112.747 177.198 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 18.4 mm-40 -56.64 -47.06 80.54 Favored 'General case' 0 CA--C 1.542 0.651 0 CA-C-N 119.73 1.15 . . . . 10.0 112.553 172.476 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 92' ' ' ILE . . . . . . . . . . . . . 93.3 mt -55.35 -55.9 14.45 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.958 0 C-N-CA 123.892 0.877 . . . . 10.0 110.791 172.224 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 93' ' ' CYS . . . . . . . . . . . . . 90.2 m -56.12 -46.83 79.02 Favored 'General case' 0 CA--C 1.543 0.708 0 C-N-CA 123.726 0.81 . . . . 10.0 112.164 179.032 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 57.5 m -57.78 -37.02 72.96 Favored 'General case' 0 N--CA 1.476 0.829 0 C-N-CA 126.132 1.773 . . . . 10.0 113.813 176.432 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . -66.11 -28.02 68.49 Favored 'General case' 0 CA--C 1.548 0.874 0 N-CA-C 113.97 1.1 . . . . 10.0 113.97 177.572 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 96' ' ' LYS . . . . . . . . . . . . . 41.8 mttm -59.97 120.07 8.96 Favored 'General case' 0 N--CA 1.477 0.92 0 C-N-CA 125.01 1.324 . . . . 10.0 111.83 -177.66 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 97' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -126.19 146.8 49.82 Favored 'General case' 0 N--CA 1.468 0.448 0 C-N-CA 126.696 1.998 . . . . 10.0 113.449 -174.036 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 98' ' ' CYS . . . . . . . . . . . . . 56.1 m -128.84 129.1 45.14 Favored 'General case' 0 N--CA 1.47 0.536 0 C-N-CA 124.863 1.265 . . . . 10.0 111.367 -177.25 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 99' ' ' ASP . . . . . . . . . . . . . 12.8 m-20 -57.58 -36.98 72.43 Favored 'General case' 0 N--CA 1.472 0.626 0 C-N-CA 125.36 1.464 . . . . 10.0 113.756 -174.006 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 100' ' ' PHE . . . . . . . . . . . . . 5.4 p90 -70.29 -15.76 62.93 Favored 'General case' 0 CA--C 1.542 0.653 0 N-CA-C 115.249 1.574 . . . . 10.0 115.249 -177.923 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 101' ' ' TRP . . . . . . . . . . . . . 43.9 m0 . . . . . 0 N--CA 1.472 0.663 0 CA-C-N 119.862 1.21 . . . . 10.0 111.981 179.686 . . . . . . . . 0 0 . 1 . 018 nuclear orig core ' A' A ' 5' ' ' ASN . . . . . . . . . . . . . 56.5 t30 . . . . . 0 CA--C 1.542 0.64 0 CA-C-O 122.733 1.254 . . . . 10.0 109.987 . . . . . . . . . 0 0 . 1 . 018 nuclear orig core ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 67.2 mtm-85 -66.16 143.82 98.51 Favored Pre-proline 0 N--CA 1.475 0.81 0 C-N-CA 126.972 2.109 . . . . 10.0 111.391 178.165 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 7' ' ' PRO . . . . . . . . . . . . . 51.8 Cg_exo -53.79 116.09 2.78 Favored 'Trans proline' 0 CA--C 1.542 0.879 0 C-N-CA 122.656 2.237 . . . . 10.0 110.78 169.467 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . 112.62 -14.73 24.7 Favored Glycine 0 CA--C 1.538 1.515 0 C-N-CA 126.393 1.949 . . . . 10.0 114.223 -169.891 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -61.74 134.76 57.14 Favored 'General case' 0 CA--C 1.542 0.636 0 CA-C-N 119.803 1.801 . . . . 10.0 113.469 -171.135 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 10' ' ' PHE . . . . . . . . . . . . . 20.8 m-30 -58.06 145.56 36.03 Favored 'General case' 0 CA--C 1.539 0.554 0 C-N-CA 124.809 1.244 . . . . 10.0 112.69 171.135 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 57.8 mt -121.23 117.57 53.23 Favored 'Isoleucine or valine' 0 C--O 1.237 0.432 0 C-N-CA 125.71 1.604 . . . . 10.0 107.183 169.899 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 86.2 mttt -117.01 80.53 1.5 Allowed 'General case' 0 N--CA 1.472 0.649 0 C-N-CA 125.783 1.633 . . . . 10.0 110.04 -174.646 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 35.9 mt-30 -74.88 -42.38 57.98 Favored 'General case' 0 CA--C 1.538 0.5 0 C-N-CA 125.971 1.708 . . . . 10.0 110.481 171.932 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . 101.64 68.19 0.82 Allowed Glycine 0 CA--C 1.529 0.962 0 C-N-CA 125.682 1.61 . . . . 10.0 110.768 -178.154 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 43.8 ttp85 -135.55 109.32 8.07 Favored 'General case' 0 N--CA 1.47 0.538 0 C-N-CA 126.746 2.019 . . . . 10.0 110.295 -169.677 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 77.1 tttt -70.97 121.46 18.19 Favored 'General case' 0 N--CA 1.475 0.778 0 C-N-CA 125.658 1.583 . . . . 10.0 111.184 -177.636 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 73.6 mt -95.9 177.53 5.73 Favored 'General case' 0 CA--C 1.545 0.782 0 C-N-CA 125.882 1.673 . . . . 10.0 112.72 -175.524 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 18.2 t0 -126.99 90.4 3.15 Favored 'General case' 0 CA--C 1.543 0.684 0 C-N-CA 126.166 1.786 . . . . 10.0 110.819 179.855 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . 56.6 mt -136.01 130.23 48.38 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.746 0 C-N-CA 127.415 2.286 . . . . 10.0 108.482 -175.935 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 23.0 t0 -90.48 86.0 6.31 Favored 'General case' 0 CA--C 1.539 0.524 0 CA-C-O 121.959 0.885 . . . . 10.0 110.82 173.241 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 21' ' ' PHE . . . . . . . . . . . . . 80.0 m-85 -62.84 -42.58 99.8 Favored 'General case' 0 CA--C 1.54 0.576 0 C-N-CA 126.711 2.004 . . . . 10.0 111.778 171.077 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 133.32 154.48 7.45 Favored Glycine 0 CA--C 1.533 1.168 0 C-N-CA 127.914 2.673 . . . . 10.0 109.608 -169.69 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -40.11 -58.31 1.48 Allowed 'General case' 0 CA--C 1.547 0.864 0 N-CA-C 115.49 1.663 . . . . 10.0 115.49 -169.518 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 34.6 tt0 -66.57 -42.57 86.81 Favored 'General case' 0 CA--C 1.545 0.781 0 C-N-CA 124.15 0.98 . . . . 10.0 112.916 -179.698 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -66.12 -39.85 94.79 Favored Glycine 0 CA--C 1.535 1.295 0 C-N-CA 124.562 1.077 . . . . 10.0 113.847 176.679 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 86.1 m-20 -56.18 -50.34 71.47 Favored 'General case' 0 CA--C 1.535 0.366 0 C-N-CA 126.069 1.747 . . . . 10.0 110.313 172.306 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 66.8 mtp180 -58.81 -45.98 88.66 Favored 'General case' 0 N--CA 1.474 0.728 0 C-N-CA 125.115 1.366 . . . . 10.0 111.389 176.291 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 28' ' ' TYR . . . . . . . . . . . . . 74.7 t80 -60.03 -54.42 46.18 Favored 'General case' 0 CA--C 1.537 0.459 0 C-N-CA 124.059 0.944 . . . . 10.0 112.044 177.545 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 29' ' ' TYR . . . . . . . . . . . . . 85.2 t80 -55.2 -51.7 65.69 Favored 'General case' 0 CA--C 1.537 0.478 0 C-N-CA 124.164 0.985 . . . . 10.0 112.228 175.175 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -51.22 -36.48 41.86 Favored 'General case' 0 CA--C 1.546 0.793 0 C-N-CA 124.496 1.118 . . . . 10.0 113.802 178.587 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -86.83 -23.51 25.29 Favored 'General case' 0 CA--C 1.55 0.957 0 N-CA-C 115.009 1.485 . . . . 10.0 115.009 176.606 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 32' ' ' ASN . . . . . . . . . . . . . 60.6 m-80 -125.9 8.77 7.48 Favored 'General case' 0 CA--C 1.547 0.832 0 N-CA-C 116.475 2.028 . . . . 10.0 116.475 -169.227 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 33' ' ' TYR . . . . . . . . . . . . . 51.7 p90 -49.17 -29.1 5.02 Favored 'General case' 0 N--CA 1.479 0.98 0 C-N-CA 126.144 1.778 . . . . 10.0 115.217 -176.921 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 34' ' ' TRP . . . . . . . . . . . . . 63.7 p-90 -52.57 -35.75 54.51 Favored 'General case' 0 CA--C 1.546 0.816 0 C-N-CA 125.95 1.7 . . . . 10.0 114.367 171.994 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 29.5 mt-30 -69.99 -41.17 74.75 Favored 'General case' 0 N--CA 1.475 0.784 0 C-N-CA 124.147 0.979 . . . . 10.0 112.916 176.229 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 36' ' ' PHE . . . . . . . . . . . . . 86.9 m-85 -71.07 154.76 93.94 Favored Pre-proline 0 CA--C 1.547 0.835 0 C-N-CA 126.129 1.772 . . . . 10.0 114.385 -169.752 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 92.2 Cg_endo -74.0 131.9 16.14 Favored 'Trans proline' 0 CA--C 1.537 0.671 0 C-N-CA 123.665 2.91 . . . . 10.0 110.328 169.377 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 4.2 p30 -94.25 -30.03 14.78 Favored 'General case' 0 N--CA 1.473 0.676 0 O-C-N 121.326 -0.859 . . . . 10.0 111.758 170.024 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . -120.82 165.19 14.02 Favored Glycine 0 CA--C 1.536 1.401 0 C-N-CA 125.184 1.373 . . . . 10.0 111.772 169.204 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 40' ' ' ILE . . . . . . . . . . . . . 87.1 mt -136.46 123.89 33.11 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.841 0 C-N-CA 124.936 1.295 . . . . 10.0 108.828 171.688 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 41' ' ' TYR . . . . . . . . . . . . . 89.9 t80 -73.95 114.15 11.93 Favored 'General case' 0 CA--C 1.535 0.396 0 C-N-CA 124.943 1.297 . . . . 10.0 109.91 171.315 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 42' ' ' TYR . . . . . . . . . . . . . 40.6 t80 -153.94 153.18 31.56 Favored 'General case' 0 CA--C 1.541 0.624 0 C-N-CA 124.124 0.969 . . . . 10.0 111.606 176.875 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 47.2 mt-10 -126.75 59.95 1.37 Allowed 'General case' 0 N--CA 1.474 0.731 0 C-N-CA 125.845 1.658 . . . . 10.0 110.659 -174.102 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . -74.24 -31.55 59.24 Favored Glycine 0 CA--C 1.532 1.103 0 C-N-CA 125.06 1.314 . . . . 10.0 115.154 -174.716 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 45' ' ' CYS . . . . . . . . . . . . . 84.7 m -75.06 74.28 2.24 Favored 'General case' 0 CA--C 1.544 0.717 0 C-N-CA 125.285 1.434 . . . . 10.0 112.675 -174.657 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 23.0 t -77.6 -55.48 5.32 Favored 'General case' 0 CA--C 1.537 0.459 0 C-N-CA 125.282 1.433 . . . . 10.0 112.139 176.558 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 14.5 pt-20 -154.99 154.37 32.43 Favored 'General case' 0 N--CA 1.471 0.61 0 C-N-CA 125.13 1.372 . . . . 10.0 113.249 -169.837 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -52.11 -27.75 15.26 Favored 'General case' 0 CA--C 1.547 0.852 0 N-CA-C 115.11 1.522 . . . . 10.0 115.11 179.399 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 77.1 m-20 -65.96 -29.74 70.19 Favored 'General case' 0 CA--C 1.546 0.791 0 C-N-CA 124.689 1.196 . . . . 10.0 113.673 174.977 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . 0.8 OUTLIER -66.74 125.31 23.81 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.812 0 CA-C-N 119.502 1.046 . . . . 10.0 109.673 174.885 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 74.9 p -93.16 171.52 8.89 Favored 'General case' 0 N--CA 1.475 0.784 0 C-N-CA 124.571 1.148 . . . . 10.0 110.782 -179.98 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 85.6 tttt -57.97 -51.68 68.63 Favored 'General case' 0 N--CA 1.47 0.575 0 O-C-N 121.641 -0.662 . . . . 10.0 110.623 169.582 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 28.0 mm-40 -49.9 -50.37 46.38 Favored 'General case' 0 N--CA 1.473 0.707 0 C-N-CA 124.157 0.983 . . . . 10.0 112.256 177.363 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 54' ' ' MET . . . . . . . . . . . . . 60.0 mtm -60.08 -48.6 81.03 Favored 'General case' 0 CA--C 1.537 0.454 0 N-CA-C 112.99 0.737 . . . . 10.0 112.99 172.84 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 9.6 tt -59.4 -52.04 67.32 Favored 'General case' 0 N--CA 1.467 0.423 0 CA-C-N 119.664 1.12 . . . . 10.0 112.558 179.887 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 40.1 t -58.22 -48.62 84.22 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.917 0 C-N-CA 124.567 1.147 . . . . 10.0 110.78 -179.721 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 57' ' ' THR . . . . . . . . . . . . . 61.8 m -56.78 -51.33 69.33 Favored 'General case' 0 N--CA 1.477 0.916 0 C-N-CA 124.386 1.074 . . . . 10.0 111.794 174.669 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 45.3 m -62.35 -39.99 94.94 Favored 'General case' 0 N--CA 1.472 0.667 0 C-N-CA 124.264 1.025 . . . . 10.0 112.605 178.893 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 59' ' ' CYS . . . . . . . . . . . . . 44.7 t -58.47 -49.55 76.91 Favored 'General case' 0 CA--C 1.536 0.42 0 C-N-CA 126.217 1.807 . . . . 10.0 112.26 172.965 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 60' ' ' VAL . . . . . . . . . . . . . 44.0 t -54.94 -48.36 75.2 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.896 0 C-N-CA 124.317 1.047 . . . . 10.0 111.519 171.744 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 61' ' ' ASN . . . . . . . . . . . . . 17.8 m-80 -59.76 -44.94 93.61 Favored 'General case' 0 CA--C 1.546 0.796 0 C-N-CA 124.596 1.158 . . . . 10.0 113.476 175.223 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -61.0 -47.23 87.42 Favored 'General case' 0 CA--C 1.539 0.551 0 C-N-CA 124.265 1.026 . . . . 10.0 111.311 174.635 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 63' ' ' THR . . . . . . . . . . . . . 37.0 m -54.8 -49.72 70.29 Favored 'General case' 0 N--CA 1.47 0.555 0 C-N-CA 125.19 1.396 . . . . 10.0 111.655 177.078 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 64' ' ' GLN . . . . . . . . . . . . . 55.5 mt-30 -46.88 -60.31 2.51 Favored 'General case' 0 N--CA 1.474 0.751 0 C-N-CA 125.075 1.35 . . . . 10.0 111.976 172.28 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -56.19 -43.51 78.53 Favored 'General case' 0 CA--C 1.543 0.676 0 C-N-CA 125.403 1.481 . . . . 10.0 113.468 -179.55 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -74.53 -30.96 61.98 Favored 'General case' 0 CA--C 1.545 0.778 0 N-CA-C 115.207 1.558 . . . . 10.0 115.207 -176.775 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 67' ' ' ASN . . . . . . . . . . . . . 6.8 m-80 -125.34 39.38 3.98 Favored 'General case' 0 N--CA 1.48 1.054 0 CA-C-N 120.179 1.354 . . . . 10.0 113.214 -170.295 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 68' ' ' GLN . . . . . . . . . . . . . 70.5 mt-30 -51.81 -39.1 58.14 Favored 'General case' 0 N--CA 1.476 0.832 0 C-N-CA 126.345 1.858 . . . . 10.0 115.032 -172.559 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -51.42 -58.86 5.09 Favored 'General case' 0 CA--C 1.544 0.748 0 C-N-CA 125.216 1.406 . . . . 10.0 113.47 -176.614 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 44.1 mt-10 -62.81 -27.27 69.2 Favored 'General case' 0 N--CA 1.476 0.833 0 C-N-CA 123.907 0.883 . . . . 10.0 113.176 179.891 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 71' ' ' PHE . . . . . . . . . . . . . 13.5 m-85 -83.55 1.29 42.73 Favored 'General case' 0 CA--C 1.544 0.712 0 C-N-CA 124.862 1.265 . . . . 10.0 114.346 175.214 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 31.0 t -132.93 -58.8 0.9 Allowed 'General case' 0 N--CA 1.472 0.653 0 C-N-CA 124.637 1.175 . . . . 10.0 113.231 -170.694 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 73' ' ' ARG . . . . . . . . . . . . . 38.8 mmt180 -61.98 -52.04 65.63 Favored 'General case' 0 N--CA 1.475 0.786 0 C-N-CA 125.123 1.369 . . . . 10.0 112.926 -172.9 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 11.4 pt-20 -89.97 -25.25 20.98 Favored 'General case' 0 N--CA 1.475 0.816 0 N-CA-C 114.316 1.228 . . . . 10.0 114.316 -175.792 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 79.0 tttt -34.22 -52.74 0.48 Allowed 'General case' 0 N--CA 1.48 1.066 0 C-N-CA 128.803 2.841 . . . . 10.0 115.452 -174.116 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 76' ' ' GLN . . . . . . . . . . . . . 4.5 mp0 -54.88 -46.83 74.82 Favored 'General case' 0 CA--C 1.542 0.639 0 C-N-CA 125.892 1.677 . . . . 10.0 112.547 -175.017 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 33.1 t70 -84.62 -48.66 9.27 Favored 'General case' 0 CA--C 1.542 0.656 0 C-N-CA 125.122 1.369 . . . . 10.0 111.991 174.565 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 2.7 t -80.62 49.96 1.25 Allowed 'General case' 0 CA--C 1.543 0.698 0 C-N-CA 127.519 2.327 . . . . 10.0 112.787 -171.816 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 99.5 mttt -57.26 -55.3 36.5 Favored 'General case' 0 N--CA 1.476 0.85 0 C-N-CA 126.291 1.836 . . . . 10.0 112.848 -172.57 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 59.0 tp -56.53 -43.32 79.72 Favored 'General case' 0 N--CA 1.469 0.512 0 C-N-CA 124.691 1.196 . . . . 10.0 112.067 177.88 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 81' ' ' HIS . . . . . . . . . . . . . 17.0 t-160 -51.81 -51.56 55.56 Favored 'General case' 0 N--CA 1.468 0.428 0 CA-C-O 118.378 -0.82 . . . . 10.0 111.025 177.846 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 82' ' ' GLN . . . . . . . . . . . . . 95.3 mm-40 -51.57 -51.08 58.39 Favored 'General case' 0 N--CA 1.471 0.584 0 C-N-CA 123.84 0.856 . . . . 10.0 112.386 176.778 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 83' ' ' ARG . . . . . . . . . . . . . 47.5 mmt-85 -56.65 -55.02 39.34 Favored 'General case' 0 N--CA 1.479 1.012 0 C-N-CA 124.078 0.951 . . . . 10.0 111.972 -178.648 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 84' ' ' VAL . . . . . . . . . . . . . 44.9 t -59.75 -49.79 82.49 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.806 0 C-N-CA 125.689 1.595 . . . . 10.0 110.793 177.78 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 85' ' ' LEU . . . . . . . . . . . . . 50.4 tp -56.29 -49.72 73.47 Favored 'General case' 0 N--CA 1.469 0.482 0 C-N-CA 126.394 1.878 . . . . 10.0 112.501 178.301 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 86' ' ' TRP . . . . . . . . . . . . . 53.2 m95 -61.6 -44.24 97.37 Favored 'General case' 0 N--CA 1.468 0.467 0 N-CA-C 113.803 1.038 . . . . 10.0 113.803 175.672 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 87' ' ' ARG . . . . . . . . . . . . . 13.8 tpt180 -55.16 -50.58 68.94 Favored 'General case' 0 N--CA 1.473 0.697 0 CA-C-N 118.762 0.71 . . . . 10.0 111.081 171.196 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 88' ' ' LEU . . . . . . . . . . . . . 52.4 tp -55.95 -50.72 70.0 Favored 'General case' 0 CA--C 1.54 0.592 0 C-N-CA 124.472 1.109 . . . . 10.0 112.796 175.947 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 89' ' ' ILE . . . . . . . . . . . . . 62.9 mt -51.61 -51.22 27.34 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.684 0 C-N-CA 124.262 1.025 . . . . 10.0 110.632 174.143 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 94.5 mttt -58.31 -45.81 87.31 Favored 'General case' 0 N--CA 1.472 0.665 0 C-N-CA 124.212 1.005 . . . . 10.0 113.219 176.049 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 67.2 mm-40 -53.97 -50.71 65.91 Favored 'General case' 0 N--CA 1.474 0.743 0 CA-C-N 119.538 1.063 . . . . 10.0 112.046 171.686 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 92' ' ' ILE . . . . . . . . . . . . . 96.8 mt -58.65 -51.18 75.04 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.94 0 C-N-CA 124.383 1.073 . . . . 10.0 111.558 175.471 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 93' ' ' CYS . . . . . . . . . . . . . 66.5 m -57.36 -41.83 80.9 Favored 'General case' 0 CA--C 1.546 0.806 0 C-N-CA 124.505 1.122 . . . . 10.0 112.4 177.919 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 23.8 t -61.7 -45.22 94.93 Favored 'General case' 0 N--CA 1.474 0.73 0 C-N-CA 126.027 1.731 . . . . 10.0 112.747 171.318 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . -60.47 -48.32 82.26 Favored 'General case' 0 CA--C 1.543 0.688 0 C-N-CA 125.513 1.525 . . . . 10.0 113.713 -177.033 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 96' ' ' LYS . . . . . . . . . . . . . 1.5 ptpm? -61.72 139.73 58.28 Favored 'General case' 0 N--CA 1.481 1.117 0 C-N-CA 123.555 0.742 . . . . 10.0 111.701 173.79 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 97' ' ' HIS . . . . . . . . . . . . . 2.2 m-70 -138.02 167.49 21.67 Favored 'General case' 0 N--CA 1.479 1.014 0 C-N-CA 126.592 1.957 . . . . 10.0 112.04 -173.535 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 98' ' ' CYS . . . . . . . . . . . . . 33.7 m -112.04 131.49 55.39 Favored 'General case' 0 N--CA 1.469 0.511 0 C-N-CA 125.151 1.38 . . . . 10.0 111.652 174.78 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 99' ' ' ASP . . . . . . . . . . . . . 16.5 m-20 -60.32 -36.63 78.37 Favored 'General case' 0 N--CA 1.473 0.692 0 C-N-CA 124.705 1.202 . . . . 10.0 113.243 179.665 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 100' ' ' PHE . . . . . . . . . . . . . 2.0 p90 -69.79 -11.87 61.19 Favored 'General case' 0 CA--C 1.544 0.737 0 N-CA-C 115.341 1.608 . . . . 10.0 115.341 -178.907 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 101' ' ' TRP . . . . . . . . . . . . . 25.3 m0 . . . . . 0 N--CA 1.471 0.62 0 CA-C-N 119.675 1.125 . . . . 10.0 113.075 -177.819 . . . . . . . . 0 0 . 1 . 019 nuclear orig core ' A' A ' 5' ' ' ASN . . . . . . . . . . . . . 52.8 t30 . . . . . 0 CA--C 1.545 0.771 0 CA-C-O 122.569 1.176 . . . . 10.0 110.113 . . . . . . . . . 0 0 . 1 . 019 nuclear orig core ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 26.2 ptt-85 -71.26 150.55 94.36 Favored Pre-proline 0 N--CA 1.475 0.796 0 C-N-CA 127.203 2.201 . . . . 10.0 112.25 173.195 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 7' ' ' PRO . . . . . . . . . . . . . 41.2 Cg_endo -61.66 119.3 6.36 Favored 'Trans proline' 0 CA--C 1.538 0.724 0 C-N-CA 122.925 2.417 . . . . 10.0 111.104 179.198 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . 116.32 -16.29 14.96 Favored Glycine 0 CA--C 1.539 1.537 0 C-N-CA 127.156 2.312 . . . . 10.0 113.671 -169.971 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -61.13 133.53 56.1 Favored 'General case' 0 CA--C 1.546 0.798 0 CA-C-N 119.599 1.699 . . . . 10.0 113.722 -171.004 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 10' ' ' PHE . . . . . . . . . . . . . 13.3 m-30 -57.64 142.83 43.57 Favored 'General case' 0 CA--C 1.543 0.695 0 C-N-CA 125.417 1.487 . . . . 10.0 113.043 172.315 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 52.6 mt -120.79 95.39 3.53 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.576 0 C-N-CA 125.523 1.529 . . . . 10.0 107.468 169.725 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 89.0 mttt -86.89 123.67 32.27 Favored 'General case' 0 N--CA 1.473 0.702 0 C-N-CA 125.265 1.426 . . . . 10.0 109.672 177.256 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 75.5 mt-30 -120.75 -41.48 2.57 Favored 'General case' 0 N--CA 1.474 0.735 0 C-N-CA 124.569 1.147 . . . . 10.0 112.836 -171.717 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . 90.41 42.58 5.15 Favored Glycine 0 CA--C 1.533 1.175 0 C-N-CA 126.114 1.816 . . . . 10.0 111.257 -169.912 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 69.4 ttp85 -121.12 84.97 2.32 Favored 'General case' 0 N--CA 1.473 0.678 0 C-N-CA 126.564 1.946 . . . . 10.0 109.957 -171.028 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 76.0 tttt -55.23 111.62 0.9 Allowed 'General case' 0 N--CA 1.475 0.806 0 C-N-CA 126.717 2.007 . . . . 10.0 112.355 -171.548 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 79.0 mt -85.15 179.1 7.31 Favored 'General case' 0 CA--C 1.545 0.775 0 C-N-CA 126.409 1.883 . . . . 10.0 112.687 -174.741 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 19.8 t0 -129.58 92.17 3.29 Favored 'General case' 0 CA--C 1.543 0.711 0 C-N-CA 125.895 1.678 . . . . 10.0 110.71 175.657 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . 51.0 mt -134.3 138.73 49.44 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.759 0 C-N-CA 127.959 2.504 . . . . 10.0 108.452 179.677 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 26.7 t0 -86.24 112.03 20.98 Favored 'General case' 0 CA--C 1.538 0.509 0 CA-C-O 121.373 0.606 . . . . 10.0 110.185 169.465 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 21' ' ' PHE . . . . . . . . . . . . . 72.6 m-85 -98.62 -3.6 35.78 Favored 'General case' 0 CA--C 1.543 0.708 0 C-N-CA 127.998 2.519 . . . . 10.0 112.675 173.995 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 88.97 152.87 26.45 Favored Glycine 0 CA--C 1.536 1.376 0 C-N-CA 125.723 1.63 . . . . 10.0 110.043 -168.822 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -40.72 -56.62 2.11 Favored 'General case' 0 CA--C 1.547 0.855 0 N-CA-C 115.678 1.733 . . . . 10.0 115.678 -169.605 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 37.2 tt0 -61.78 -44.91 95.94 Favored 'General case' 0 CA--C 1.545 0.75 0 C-N-CA 124.675 1.19 . . . . 10.0 112.505 179.793 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -66.92 -39.17 93.29 Favored Glycine 0 CA--C 1.535 1.327 0 C-N-CA 124.748 1.166 . . . . 10.0 113.905 176.027 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 95.4 m-20 -57.79 -49.13 77.64 Favored 'General case' 0 CA--C 1.534 0.34 0 C-N-CA 125.652 1.581 . . . . 10.0 110.683 174.764 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 98.7 mtt180 -57.47 -46.13 84.03 Favored 'General case' 0 N--CA 1.475 0.811 0 C-N-CA 124.499 1.119 . . . . 10.0 111.62 174.555 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 28' ' ' TYR . . . . . . . . . . . . . 71.0 t80 -60.48 -53.46 57.25 Favored 'General case' 0 CA--C 1.537 0.444 0 C-N-CA 124.04 0.936 . . . . 10.0 112.359 178.175 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 29' ' ' TYR . . . . . . . . . . . . . 76.2 t80 -56.2 -52.11 65.61 Favored 'General case' 0 N--CA 1.468 0.439 0 C-N-CA 123.898 0.879 . . . . 10.0 112.19 175.555 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -49.68 -36.57 25.43 Favored 'General case' 0 CA--C 1.545 0.754 0 C-N-CA 124.373 1.069 . . . . 10.0 113.79 178.636 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -87.21 -28.19 22.54 Favored 'General case' 0 CA--C 1.551 1.006 0 C-N-CA 125.696 1.598 . . . . 10.0 115.166 176.738 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 32' ' ' ASN . . . . . . . . . . . . . 55.9 m-80 -122.9 8.79 9.36 Favored 'General case' 0 N--CA 1.477 0.881 0 N-CA-C 116.534 2.05 . . . . 10.0 116.534 -169.12 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 33' ' ' TYR . . . . . . . . . . . . . 52.9 p90 -46.35 -36.76 6.66 Favored 'General case' 0 N--CA 1.477 0.89 0 C-N-CA 126.466 1.907 . . . . 10.0 115.069 -176.401 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 34' ' ' TRP . . . . . . . . . . . . . 63.7 p-90 -48.6 -33.67 10.21 Favored 'General case' 0 CA--C 1.546 0.809 0 C-N-CA 126.24 1.816 . . . . 10.0 114.632 174.92 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 29.8 mt-30 -71.73 -30.29 65.46 Favored 'General case' 0 N--CA 1.472 0.653 0 C-N-CA 125.061 1.344 . . . . 10.0 114.571 177.296 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 36' ' ' PHE . . . . . . . . . . . . . 64.7 m-85 -78.47 153.31 78.86 Favored Pre-proline 0 CA--C 1.544 0.741 0 N-CA-C 115.178 1.547 . . . . 10.0 115.178 -168.808 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 84.1 Cg_endo -74.18 103.64 1.71 Allowed 'Trans proline' 0 CA--C 1.539 0.765 0 C-N-CA 123.979 3.12 . . . . 10.0 110.029 169.636 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 69.2 m-20 -70.04 -22.5 63.08 Favored 'General case' 0 CA--C 1.545 0.775 0 O-C-N 121.218 -0.926 . . . . 10.0 112.261 176.326 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . -139.08 170.69 23.97 Favored Glycine 0 CA--C 1.537 1.415 0 C-N-CA 127.208 2.337 . . . . 10.0 111.083 169.468 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 40' ' ' ILE . . . . . . . . . . . . . 91.6 mt -137.45 125.58 32.39 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.858 0 C-N-CA 124.63 1.172 . . . . 10.0 109.046 176.56 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 41' ' ' TYR . . . . . . . . . . . . . 91.2 t80 -74.16 106.62 5.91 Favored 'General case' 0 CA--C 1.534 0.362 0 C-N-CA 124.102 0.961 . . . . 10.0 109.879 171.005 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 42' ' ' TYR . . . . . . . . . . . . . 55.1 t80 -154.73 141.62 19.15 Favored 'General case' 0 N--CA 1.467 0.409 0 C-N-CA 123.791 0.836 . . . . 10.0 111.886 175.747 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 51.8 mt-10 -119.94 95.83 4.92 Favored 'General case' 0 N--CA 1.469 0.505 0 C-N-CA 125.868 1.667 . . . . 10.0 109.57 178.79 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . -83.59 -69.09 1.39 Allowed Glycine 0 CA--C 1.527 0.825 0 C-N-CA 124.625 1.107 . . . . 10.0 114.421 -169.811 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 45' ' ' CYS . . . . . . . . . . . . . 26.7 p -70.68 140.21 51.43 Favored 'General case' 0 CA--C 1.544 0.712 0 N-CA-C 113.069 0.766 . . . . 10.0 113.069 -173.058 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 62.1 m -124.82 -28.16 3.54 Favored 'General case' 0 N--CA 1.479 0.991 0 C-N-CA 125.787 1.635 . . . . 10.0 113.675 178.617 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 13.0 pt-20 -147.73 150.57 34.55 Favored 'General case' 0 N--CA 1.472 0.672 0 C-N-CA 126.035 1.734 . . . . 10.0 111.668 -177.826 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -54.01 -26.61 27.18 Favored 'General case' 0 CA--C 1.549 0.931 0 N-CA-C 115.175 1.546 . . . . 10.0 115.175 -175.314 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 77.2 m-20 -65.25 -29.29 70.07 Favored 'General case' 0 CA--C 1.546 0.799 0 C-N-CA 125.401 1.48 . . . . 10.0 113.836 176.997 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . 5.0 p -62.89 136.1 26.41 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.892 0 C-N-CA 124.084 0.954 . . . . 10.0 111.857 -176.962 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 73.5 p -101.49 167.89 9.86 Favored 'General case' 0 N--CA 1.474 0.747 0 C-N-CA 124.46 1.104 . . . . 10.0 111.794 -173.838 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 87.3 tttt -59.33 -47.98 83.36 Favored 'General case' 0 N--CA 1.469 0.515 0 C-N-CA 123.197 0.599 . . . . 10.0 110.684 169.837 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 2.4 mp0 -48.34 -51.58 25.5 Favored 'General case' 0 CA--C 1.54 0.591 0 C-N-CA 124.828 1.251 . . . . 10.0 112.273 173.732 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 54' ' ' MET . . . . . . . . . . . . . 31.3 mtm -56.77 -56.61 19.31 Favored 'General case' 0 N--CA 1.469 0.497 0 C-N-CA 123.818 0.847 . . . . 10.0 112.606 171.64 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 9.7 tt -55.42 -53.73 52.63 Favored 'General case' 0 N--CA 1.471 0.58 0 C-N-CA 124.689 1.196 . . . . 10.0 112.979 -177.192 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 60.7 t -60.4 -48.97 86.14 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.812 0 C-N-CA 125.444 1.498 . . . . 10.0 111.208 -177.364 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 57' ' ' THR . . . . . . . . . . . . . 48.0 m -59.69 -49.04 79.31 Favored 'General case' 0 N--CA 1.476 0.863 0 C-N-CA 124.047 0.939 . . . . 10.0 111.542 175.86 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 38.8 m -60.38 -39.73 88.31 Favored 'General case' 0 N--CA 1.472 0.626 0 C-N-CA 124.165 0.986 . . . . 10.0 112.349 177.519 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 59' ' ' CYS . . . . . . . . . . . . . 39.7 t -58.19 -49.58 76.56 Favored 'General case' 0 CA--C 1.537 0.446 0 C-N-CA 125.557 1.543 . . . . 10.0 112.877 173.329 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 60' ' ' VAL . . . . . . . . . . . . . 54.5 t -55.36 -49.96 68.9 Favored 'Isoleucine or valine' 0 N--CA 1.479 0.977 0 CA-C-N 119.076 0.853 . . . . 10.0 111.267 172.051 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 61' ' ' ASN . . . . . . . . . . . . . 16.4 m-80 -57.83 -45.21 86.51 Favored 'General case' 0 CA--C 1.545 0.762 0 C-N-CA 124.528 1.131 . . . . 10.0 113.189 176.551 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -62.09 -48.09 81.74 Favored 'General case' 0 CA--C 1.536 0.44 0 C-N-CA 124.064 0.945 . . . . 10.0 111.366 175.396 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 63' ' ' THR . . . . . . . . . . . . . 30.8 m -54.71 -49.64 70.23 Favored 'General case' 0 N--CA 1.471 0.589 0 C-N-CA 124.98 1.312 . . . . 10.0 111.58 176.316 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 64' ' ' GLN . . . . . . . . . . . . . 81.8 mt-30 -48.8 -60.0 3.1 Favored 'General case' 0 N--CA 1.471 0.585 0 C-N-CA 125.531 1.532 . . . . 10.0 112.133 172.17 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -56.82 -43.0 80.6 Favored 'General case' 0 CA--C 1.545 0.765 0 C-N-CA 125.317 1.447 . . . . 10.0 113.577 179.681 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -69.06 -39.83 78.9 Favored 'General case' 0 CA--C 1.543 0.701 0 C-N-CA 124.969 1.308 . . . . 10.0 114.433 -178.832 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 67' ' ' ASN . . . . . . . . . . . . . 8.3 m-80 -118.12 39.69 3.34 Favored 'General case' 0 N--CA 1.475 0.794 0 C-N-CA 124.162 0.985 . . . . 10.0 112.71 -169.72 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 68' ' ' GLN . . . . . . . . . . . . . 64.1 mt-30 -52.44 -44.86 65.72 Favored 'General case' 0 N--CA 1.475 0.781 0 C-N-CA 125.61 1.564 . . . . 10.0 112.861 179.427 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -54.28 -49.33 69.84 Favored 'General case' 0 CA--C 1.542 0.659 0 C-N-CA 124.944 1.298 . . . . 10.0 112.636 175.609 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 11.1 mm-40 -59.79 -48.34 82.08 Favored 'General case' 0 N--CA 1.47 0.573 0 C-N-CA 124.192 0.997 . . . . 10.0 111.973 178.1 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 71' ' ' PHE . . . . . . . . . . . . . 25.7 m-85 -65.48 -24.13 67.08 Favored 'General case' 0 N--CA 1.472 0.658 0 N-CA-C 113.919 1.081 . . . . 10.0 113.919 176.541 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 21.7 t -71.33 -56.71 5.44 Favored 'General case' 0 N--CA 1.47 0.542 0 C-N-CA 124.234 1.013 . . . . 10.0 110.575 169.384 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 73' ' ' ARG . . . . . . . . . . . . . 91.4 mtt180 -55.52 -61.39 2.38 Favored 'General case' 0 N--CA 1.476 0.858 0 C-N-CA 127.351 2.261 . . . . 10.0 113.294 179.628 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 77.3 mm-40 -87.13 52.11 2.42 Favored 'General case' 0 N--CA 1.468 0.452 0 C-N-CA 126.454 1.902 . . . . 10.0 112.84 -169.34 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 4.8 ttpm? -147.32 -53.19 0.21 Allowed 'General case' 0 N--CA 1.472 0.646 0 C-N-CA 125.104 1.362 . . . . 10.0 113.225 -176.994 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 76' ' ' GLN . . . . . . . . . . . . . 13.8 mm100 -57.02 -61.94 2.09 Favored 'General case' 0 N--CA 1.472 0.659 0 C-N-CA 124.613 1.165 . . . . 10.0 111.911 -172.085 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 31.4 t70 -82.79 -51.61 7.5 Favored 'General case' 0 CA--C 1.542 0.635 0 C-N-CA 124.363 1.065 . . . . 10.0 110.995 169.85 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 16.6 m -75.72 55.55 0.87 Allowed 'General case' 0 CA--C 1.544 0.729 0 C-N-CA 126.648 1.979 . . . . 10.0 113.322 -177.035 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 64.3 mttp -54.2 -50.99 65.81 Favored 'General case' 0 N--CA 1.479 0.982 0 C-N-CA 125.853 1.661 . . . . 10.0 113.036 -176.833 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 50.3 tp -57.45 -35.16 69.76 Favored 'General case' 0 N--CA 1.472 0.647 0 C-N-CA 125.295 1.438 . . . . 10.0 113.122 177.613 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 81' ' ' HIS . . . . . . . . . . . . . 6.9 t-160 -53.25 -46.16 69.09 Favored 'General case' 0 N--CA 1.469 0.52 0 C-N-CA 124.004 0.922 . . . . 10.0 111.82 -178.368 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 82' ' ' GLN . . . . . . . . . . . . . 85.0 mm-40 -48.06 -55.63 9.71 Favored 'General case' 0 N--CA 1.474 0.775 0 C-N-CA 124.431 1.092 . . . . 10.0 113.227 177.742 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 83' ' ' ARG . . . . . . . . . . . . . 48.3 ttt85 -46.95 -60.07 2.68 Favored 'General case' 0 N--CA 1.481 1.096 0 C-N-CA 124.839 1.256 . . . . 10.0 111.502 177.761 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 84' ' ' VAL . . . . . . . . . . . . . 12.7 t -60.91 -50.47 80.4 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.505 0 C-N-CA 125.941 1.696 . . . . 10.0 110.687 -176.823 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 85' ' ' LEU . . . . . . . . . . . . . 29.9 tp -57.12 -50.39 72.95 Favored 'General case' 0 CA--C 1.539 0.522 0 C-N-CA 126.194 1.798 . . . . 10.0 112.363 178.935 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 86' ' ' TRP . . . . . . . . . . . . . 66.8 m95 -62.17 -44.77 95.86 Favored 'General case' 0 N--CA 1.469 0.496 0 N-CA-C 113.696 0.998 . . . . 10.0 113.696 175.734 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 87' ' ' ARG . . . . . . . . . . . . . 25.5 tpt180 -54.6 -49.32 70.74 Favored 'General case' 0 N--CA 1.474 0.728 0 C-N-CA 123.426 0.69 . . . . 10.0 111.015 172.788 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 88' ' ' LEU . . . . . . . . . . . . . 57.4 tp -57.42 -54.0 51.74 Favored 'General case' 0 CA--C 1.54 0.593 0 C-N-CA 124.19 0.996 . . . . 10.0 112.831 174.091 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 89' ' ' ILE . . . . . . . . . . . . . 68.3 mt -51.04 -52.69 17.05 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.825 0 C-N-CA 124.333 1.053 . . . . 10.0 110.758 176.749 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 95.9 mttt -59.72 -45.14 93.07 Favored 'General case' 0 N--CA 1.47 0.536 0 C-N-CA 124.538 1.135 . . . . 10.0 112.968 178.105 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 22.3 mm-40 -56.1 -49.01 75.06 Favored 'General case' 0 CA--C 1.541 0.601 0 CA-C-N 119.316 0.962 . . . . 10.0 112.376 171.417 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 92' ' ' ILE . . . . . . . . . . . . . 90.5 mt -57.07 -52.36 57.12 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.955 0 C-N-CA 124.537 1.135 . . . . 10.0 111.449 174.434 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 93' ' ' CYS . . . . . . . . . . . . . 83.0 m -55.94 -46.44 78.52 Favored 'General case' 0 CA--C 1.543 0.693 0 C-N-CA 124.293 1.037 . . . . 10.0 112.065 177.479 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 56.1 m -60.03 -44.73 94.43 Favored 'General case' 0 N--CA 1.476 0.841 0 C-N-CA 125.699 1.6 . . . . 10.0 112.99 174.054 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . -64.28 -50.89 66.1 Favored 'General case' 0 CA--C 1.54 0.565 0 C-N-CA 125.488 1.515 . . . . 10.0 113.032 -178.416 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 96' ' ' LYS . . . . . . . . . . . . . 7.5 ptmm? -67.52 92.28 0.31 Allowed 'General case' 0 N--CA 1.476 0.874 0 C-N-CA 124.343 1.057 . . . . 10.0 112.935 -173.107 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 97' ' ' HIS . . . . . . . . . . . . . 6.4 m80 -73.17 153.5 40.68 Favored 'General case' 0 N--CA 1.476 0.831 0 C-N-CA 124.893 1.277 . . . . 10.0 112.343 179.898 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 98' ' ' CYS . . . . . . . . . . . . . 38.4 t -70.11 147.29 50.13 Favored 'General case' 0 CA--C 1.544 0.74 0 C-N-CA 123.335 0.654 . . . . 10.0 111.243 169.376 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 99' ' ' ASP . . . . . . . . . . . . . 31.7 t70 -65.22 -43.62 90.89 Favored 'General case' 0 CA--C 1.545 0.768 0 C-N-CA 124.584 1.154 . . . . 10.0 113.533 176.36 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 100' ' ' PHE . . . . . . . . . . . . . 9.1 p90 -101.35 8.14 42.43 Favored 'General case' 0 CA--C 1.546 0.798 0 N-CA-C 115.884 1.809 . . . . 10.0 115.884 -169.572 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 101' ' ' TRP . . . . . . . . . . . . . 7.9 m0 . . . . . 0 N--CA 1.475 0.817 0 CA-C-N 120.004 1.275 . . . . 10.0 112.767 177.79 . . . . . . . . 0 0 . 1 . 020 nuclear orig core ' A' A ' 5' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER . . . . . 0 CA--C 1.547 0.846 0 CA-C-O 121.995 0.902 . . . . 10.0 110.684 . . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 7.4 ptm180 -74.1 161.87 76.48 Favored Pre-proline 0 N--CA 1.478 0.944 0 C-N-CA 125.005 1.322 . . . . 10.0 112.122 170.263 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 7' ' ' PRO . . . . . . . . . . . . . 80.8 Cg_exo -46.91 122.4 6.09 Favored 'Trans proline' 0 CA--C 1.537 0.655 0 C-N-CA 123.483 2.788 . . . . 10.0 112.483 169.97 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . 116.4 -21.13 11.96 Favored Glycine 0 CA--C 1.539 1.538 0 C-N-CA 127.558 2.504 . . . . 10.0 113.476 -169.672 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -59.31 135.03 57.52 Favored 'General case' 0 CA--C 1.545 0.785 0 CA-C-N 119.183 1.492 . . . . 10.0 114.149 -170.292 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 10' ' ' PHE . . . . . . . . . . . . . 15.4 m-30 -58.54 143.09 47.08 Favored 'General case' 0 CA--C 1.542 0.637 0 C-N-CA 125.834 1.654 . . . . 10.0 113.261 173.893 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 35.8 mt -126.26 93.28 2.25 Favored 'Isoleucine or valine' 0 CA--C 1.537 0.453 0 C-N-CA 125.183 1.393 . . . . 10.0 107.247 169.548 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 92.7 mttt -86.92 116.89 25.29 Favored 'General case' 0 N--CA 1.472 0.654 0 C-N-CA 125.942 1.697 . . . . 10.0 109.636 175.134 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 13' ' ' GLN . . . . . 0.425 ' NE2' HH21 ' A' ' 15' ' ' ARG . 34.5 mt-30 -120.2 -45.83 2.43 Favored 'General case' 0 N--CA 1.47 0.55 0 C-N-CA 126.022 1.729 . . . . 10.0 110.648 -175.805 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . 119.1 84.35 0.91 Allowed Glycine 0 N--CA 1.469 0.857 0 C-N-CA 125.827 1.68 . . . . 10.0 110.875 175.982 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 15' ' ' ARG . . . . . 0.425 HH21 ' NE2' ' A' ' 13' ' ' GLN . 48.6 ttm-85 -143.08 143.99 32.07 Favored 'General case' 0 N--CA 1.473 0.701 0 C-N-CA 125.496 1.518 . . . . 10.0 111.828 -169.605 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 75.3 tttt -117.58 96.87 5.59 Favored 'General case' 0 N--CA 1.472 0.643 0 C-N-CA 125.839 1.655 . . . . 10.0 110.58 -179.948 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 77.3 mt -78.78 -179.92 6.82 Favored 'General case' 0 CA--C 1.545 0.754 0 C-N-CA 126.411 1.884 . . . . 10.0 112.54 -177.848 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 20.1 t0 -128.12 101.73 6.4 Favored 'General case' 0 CA--C 1.542 0.635 0 C-N-CA 125.86 1.664 . . . . 10.0 110.33 172.729 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . 76.8 mt -135.69 131.76 50.81 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.726 0 C-N-CA 127.226 2.21 . . . . 10.0 107.93 -179.796 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 24.2 t0 -85.3 88.44 7.49 Favored 'General case' 0 CA--C 1.542 0.636 0 CA-C-O 122.163 0.982 . . . . 10.0 110.587 169.91 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 21' ' ' PHE . . . . . . . . . . . . . 84.1 m-85 -66.81 -39.44 87.72 Favored 'General case' 0 CA--C 1.54 0.582 0 C-N-CA 126.349 1.859 . . . . 10.0 111.705 169.944 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 128.03 154.99 8.56 Favored Glycine 0 CA--C 1.534 1.224 0 C-N-CA 128.143 2.782 . . . . 10.0 109.589 -169.639 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -39.87 -57.31 1.61 Allowed 'General case' 0 CA--C 1.547 0.862 0 N-CA-C 115.641 1.719 . . . . 10.0 115.641 -169.604 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 36.2 tt0 -63.69 -45.22 91.02 Favored 'General case' 0 CA--C 1.544 0.739 0 C-N-CA 124.61 1.164 . . . . 10.0 112.767 179.592 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -66.67 -38.54 93.28 Favored Glycine 0 CA--C 1.535 1.294 0 C-N-CA 124.988 1.28 . . . . 10.0 114.122 177.183 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 86.8 m-20 -57.71 -49.88 75.05 Favored 'General case' 0 CA--C 1.536 0.435 0 C-N-CA 126.007 1.723 . . . . 10.0 110.364 173.764 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 99.1 mtt180 -59.29 -45.88 90.05 Favored 'General case' 0 N--CA 1.475 0.776 0 C-N-CA 124.792 1.237 . . . . 10.0 111.492 176.002 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 28' ' ' TYR . . . . . 0.404 ' HH ' ' CG ' ' A' ' 81' ' ' HIS . 79.2 t80 -58.39 -56.25 24.47 Favored 'General case' 0 CA--C 1.536 0.417 0 C-N-CA 124.256 1.022 . . . . 10.0 112.186 176.469 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 29' ' ' TYR . . . . . . . . . . . . . 76.2 t80 -56.14 -50.34 71.38 Favored 'General case' 0 N--CA 1.468 0.451 0 C-N-CA 123.877 0.871 . . . . 10.0 112.193 177.858 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -51.41 -29.58 16.33 Favored 'General case' 0 CA--C 1.546 0.81 0 N-CA-C 114.241 1.2 . . . . 10.0 114.241 177.675 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -95.99 -24.8 16.2 Favored 'General case' 0 CA--C 1.551 1.017 0 C-N-CA 126.05 1.74 . . . . 10.0 114.884 176.987 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 32' ' ' ASN . . . . . . . . . . . . . 55.8 m-80 -124.43 7.23 8.34 Favored 'General case' 0 CA--C 1.546 0.825 0 N-CA-C 116.065 1.876 . . . . 10.0 116.065 -169.323 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 33' ' ' TYR . . . . . . . . . . . . . 51.5 p90 -43.36 -39.0 2.95 Favored 'General case' 0 N--CA 1.476 0.839 0 C-N-CA 127.511 2.324 . . . . 10.0 114.927 -179.731 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 34' ' ' TRP . . . . . . . . . . . . . 64.2 p-90 -49.9 -33.5 17.46 Favored 'General case' 0 CA--C 1.546 0.794 0 C-N-CA 126.555 1.942 . . . . 10.0 114.663 176.527 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 31.3 mt-30 -70.01 -34.69 73.63 Favored 'General case' 0 N--CA 1.473 0.678 0 C-N-CA 124.73 1.212 . . . . 10.0 114.082 177.476 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 36' ' ' PHE . . . . . . . . . . . . . 44.3 m-85 -70.4 147.82 95.22 Favored Pre-proline 0 CA--C 1.545 0.776 0 C-N-CA 125.197 1.399 . . . . 10.0 113.695 -169.276 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 96.8 Cg_endo -74.52 97.31 1.03 Allowed 'Trans proline' 0 C--N 1.348 0.546 0 C-N-CA 123.95 3.1 . . . . 10.0 110.096 170.432 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 4.5 p-10 -71.23 -17.85 62.48 Favored 'General case' 0 CA--C 1.545 0.756 0 O-C-N 121.108 -0.995 . . . . 10.0 113.347 -179.297 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . -126.71 159.52 20.95 Favored Glycine 0 CA--C 1.536 1.388 0 C-N-CA 126.288 1.899 . . . . 10.0 110.385 168.728 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 40' ' ' ILE . . . . . . . . . . . . . 81.5 mt -137.75 124.57 28.29 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.841 0 C-N-CA 124.529 1.132 . . . . 10.0 109.224 175.371 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 41' ' ' TYR . . . . . . . . . . . . . 54.0 t80 -73.47 94.78 2.14 Favored 'General case' 0 CA--C 1.535 0.365 0 C-N-CA 124.687 1.195 . . . . 10.0 110.277 172.102 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 42' ' ' TYR . . . . . . . . . . . . . 91.2 t80 -154.38 139.31 17.24 Favored 'General case' 0 N--CA 1.467 0.412 0 C-N-CA 124.538 1.135 . . . . 10.0 110.589 174.142 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 44.1 mt-10 -134.28 85.3 2.18 Favored 'General case' 0 CA--C 1.54 0.574 0 C-N-CA 125.789 1.636 . . . . 10.0 110.008 -176.665 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . -80.8 -25.71 55.48 Favored Glycine 0 CA--C 1.534 1.241 0 C-N-CA 124.755 1.169 . . . . 10.0 115.159 -173.378 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 45' ' ' CYS . . . . . . . . . . . . . 69.0 m -61.7 119.31 8.46 Favored 'General case' 0 CA--C 1.543 0.685 0 C-N-CA 125.945 1.698 . . . . 10.0 112.42 -177.461 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 56.6 p -142.23 -77.74 0.26 Allowed 'General case' 0 N--CA 1.471 0.605 0 C-N-CA 125.406 1.482 . . . . 10.0 111.784 -178.902 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 31.4 mm-40 -93.96 145.37 24.69 Favored 'General case' 0 N--CA 1.469 0.494 0 C-N-CA 126.147 1.779 . . . . 10.0 112.212 -176.287 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -55.48 -31.16 61.76 Favored 'General case' 0 CA--C 1.547 0.847 0 C-N-CA 124.818 1.247 . . . . 10.0 113.342 172.729 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 32.1 m120 -68.47 -23.48 64.59 Favored 'General case' 0 CA--C 1.545 0.77 0 C-N-CA 126.355 1.862 . . . . 10.0 114.084 176.56 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . 0.3 OUTLIER -63.93 154.52 6.56 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.957 0 C-N-CA 123.77 0.828 . . . . 10.0 111.192 178.532 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 27.0 p -130.43 172.34 11.98 Favored 'General case' 0 N--CA 1.479 0.98 0 C-N-CA 125.051 1.34 . . . . 10.0 111.705 -177.188 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 37.5 ttpt -60.78 -50.76 72.14 Favored 'General case' 0 N--CA 1.471 0.609 0 O-C-N 121.763 -0.586 . . . . 10.0 111.816 171.432 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 47.4 mt-10 -51.56 -47.01 63.62 Favored 'General case' 0 N--CA 1.474 0.734 0 C-N-CA 123.488 0.715 . . . . 10.0 112.199 176.997 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 54' ' ' MET . . . . . . . . . . . . . 99.2 mtp -58.11 -57.82 11.17 Favored 'General case' 0 CA--C 1.539 0.52 0 C-N-CA 124.024 0.929 . . . . 10.0 112.292 171.15 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 10.0 tt -57.26 -51.94 67.33 Favored 'General case' 0 N--CA 1.467 0.413 0 C-N-CA 124.242 1.017 . . . . 10.0 112.642 -176.279 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 40.7 t -60.91 -47.3 94.04 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.739 0 C-N-CA 124.732 1.213 . . . . 10.0 111.11 -177.31 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 57' ' ' THR . . . . . . . . . . . . . 58.5 m -57.78 -51.34 69.97 Favored 'General case' 0 N--CA 1.476 0.871 0 C-N-CA 123.998 0.919 . . . . 10.0 111.612 173.629 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 7.0 t -59.92 -42.26 93.52 Favored 'General case' 0 N--CA 1.471 0.575 0 C-N-CA 124.268 1.027 . . . . 10.0 112.566 177.967 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 59' ' ' CYS . . . . . . . . . . . . . 40.9 t -57.84 -50.1 74.44 Favored 'General case' 0 CA--C 1.536 0.405 0 C-N-CA 126.376 1.87 . . . . 10.0 112.667 173.209 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 60' ' ' VAL . . . . . . . . . . . . . 40.3 t -54.83 -48.81 73.37 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.933 0 C-N-CA 124.272 1.029 . . . . 10.0 111.363 172.442 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 61' ' ' ASN . . . . . . . . . . . . . 18.0 m-80 -59.11 -45.66 90.31 Favored 'General case' 0 CA--C 1.546 0.807 0 C-N-CA 124.658 1.183 . . . . 10.0 113.254 174.808 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -60.69 -45.69 93.23 Favored 'General case' 0 CA--C 1.538 0.482 0 C-N-CA 124.473 1.109 . . . . 10.0 111.332 174.908 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 63' ' ' THR . . . . . . . . . . . . . 36.8 m -56.3 -48.14 77.26 Favored 'General case' 0 N--CA 1.471 0.576 0 C-N-CA 125.561 1.544 . . . . 10.0 111.653 175.928 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 64' ' ' GLN . . . . . . . . . . . . . 70.8 mt-30 -50.51 -59.89 3.56 Favored 'General case' 0 N--CA 1.47 0.565 0 C-N-CA 124.096 0.958 . . . . 10.0 111.687 170.71 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -56.45 -41.66 76.86 Favored 'General case' 0 CA--C 1.545 0.776 0 C-N-CA 125.85 1.66 . . . . 10.0 114.044 -178.615 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -69.44 -37.7 77.49 Favored 'General case' 0 CA--C 1.541 0.625 0 C-N-CA 125.141 1.377 . . . . 10.0 114.262 178.969 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 67' ' ' ASN . . . . . . . . . . . . . 7.2 m-80 -122.39 39.78 3.83 Favored 'General case' 0 CA--C 1.546 0.794 0 C-N-CA 124.28 1.032 . . . . 10.0 112.639 -169.769 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 68' ' ' GLN . . . . . . . . . . . . . 88.0 mt-30 -52.81 -47.99 67.25 Favored 'General case' 0 N--CA 1.475 0.782 0 C-N-CA 125.29 1.436 . . . . 10.0 113.105 -176.34 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -55.47 -50.27 70.32 Favored 'General case' 0 CA--C 1.542 0.664 0 C-N-CA 125.066 1.346 . . . . 10.0 112.852 179.354 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 12.3 mm-40 -52.96 -53.88 43.29 Favored 'General case' 0 N--CA 1.472 0.668 0 C-N-CA 125.094 1.358 . . . . 10.0 111.621 178.788 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 71' ' ' PHE . . . . . . . . . . . . . 40.4 m-85 -59.36 -57.16 14.22 Favored 'General case' 0 CA--C 1.535 0.402 0 C-N-CA 123.603 0.761 . . . . 10.0 111.903 175.377 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 62.7 m -53.5 -48.25 69.14 Favored 'General case' 0 N--CA 1.474 0.764 0 C-N-CA 125.493 1.517 . . . . 10.0 113.349 -175.118 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 73' ' ' ARG . . . . . . . . . . . . . 99.0 mtt180 -57.57 -56.63 19.45 Favored 'General case' 0 N--CA 1.475 0.791 0 C-N-CA 125.349 1.46 . . . . 10.0 111.996 177.386 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 30.2 mt-10 -69.1 -46.39 67.84 Favored 'General case' 0 CA--C 1.538 0.498 0 N-CA-C 113.698 0.999 . . . . 10.0 113.698 -174.76 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 21.7 ttmm -43.72 -35.46 1.85 Allowed 'General case' 0 N--CA 1.484 1.238 0 C-N-CA 127.782 2.433 . . . . 10.0 114.839 -177.315 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 76' ' ' GLN . . . . . . . . . . . . . 17.6 mm100 -51.29 -35.63 38.52 Favored 'General case' 0 CA--C 1.544 0.712 0 C-N-CA 126.015 1.726 . . . . 10.0 114.04 175.45 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 32.6 t70 -133.17 -39.92 0.92 Allowed 'General case' 0 N--CA 1.474 0.757 0 C-N-CA 125.755 1.622 . . . . 10.0 113.411 -172.895 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -80.31 53.84 1.87 Allowed 'General case' 0 CA--C 1.544 0.731 0 C-N-CA 126.951 2.1 . . . . 10.0 112.833 -175.015 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 5.3 mptp? -55.0 -48.7 72.99 Favored 'General case' 0 N--CA 1.479 0.997 0 C-N-CA 125.741 1.616 . . . . 10.0 112.673 -175.287 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 50.1 tp -58.04 -50.41 73.52 Favored 'General case' 0 N--CA 1.47 0.545 0 C-N-CA 124.761 1.225 . . . . 10.0 111.962 173.935 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 81' ' ' HIS . . . . . 0.404 ' CG ' ' HH ' ' A' ' 28' ' ' TYR . 17.8 t-160 -50.44 -47.94 56.57 Favored 'General case' 0 N--CA 1.473 0.686 0 CA-C-O 118.296 -0.859 . . . . 10.0 111.791 -178.868 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 82' ' ' GLN . . . . . . . . . . . . . 83.9 mm-40 -45.94 -55.62 6.54 Favored 'General case' 0 N--CA 1.474 0.761 0 C-N-CA 124.566 1.146 . . . . 10.0 112.619 177.967 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 83' ' ' ARG . . . . . . . . . . . . . 10.9 mpt_? -57.68 -53.93 52.58 Favored 'General case' 0 N--CA 1.479 1.023 0 C-N-CA 124.673 1.189 . . . . 10.0 111.792 -178.206 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 84' ' ' VAL . . . . . . . . . . . . . 20.0 t -56.93 -51.71 64.91 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.775 0 C-N-CA 125.561 1.544 . . . . 10.0 110.597 177.938 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 85' ' ' LEU . . . . . . . . . . . . . 41.4 tp -55.19 -48.93 73.11 Favored 'General case' 0 CA--C 1.536 0.426 0 C-N-CA 126.529 1.932 . . . . 10.0 112.753 177.078 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 86' ' ' TRP . . . . . . . . . . . . . 55.5 m95 -61.31 -44.31 97.42 Favored 'General case' 0 N--CA 1.47 0.54 0 N-CA-C 113.821 1.045 . . . . 10.0 113.821 175.464 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 87' ' ' ARG . . . . . . . . . . . . . 44.6 tpt85 -57.76 -45.44 85.92 Favored 'General case' 0 N--CA 1.476 0.845 0 C-N-CA 123.71 0.804 . . . . 10.0 112.292 173.764 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 88' ' ' LEU . . . . . . . . . . . . . 2.1 tm? -59.93 -52.59 64.75 Favored 'General case' 0 CA--C 1.542 0.657 0 C-N-CA 126.929 2.092 . . . . 10.0 111.93 173.204 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 89' ' ' ILE . . . . . . . . . . . . . 65.3 mt -51.71 -51.29 27.91 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.78 0 C-N-CA 124.322 1.049 . . . . 10.0 110.453 173.971 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 39.6 ttmt -57.5 -43.57 84.31 Favored 'General case' 0 N--CA 1.471 0.601 0 C-N-CA 124.506 1.122 . . . . 10.0 113.108 176.588 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 27.2 tp10 -53.14 -52.33 59.08 Favored 'General case' 0 N--CA 1.472 0.635 0 CA-C-N 119.222 0.919 . . . . 10.0 111.949 172.643 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 92' ' ' ILE . . . . . . . . . . . . . 97.4 mt -59.7 -50.26 80.68 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.752 0 C-N-CA 124.649 1.18 . . . . 10.0 111.303 176.18 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 93' ' ' CYS . . . . . . . . . . . . . 60.8 m -54.88 -45.17 74.61 Favored 'General case' 0 CA--C 1.546 0.808 0 C-N-CA 124.766 1.226 . . . . 10.0 112.464 176.654 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 13.5 t -58.91 -46.2 88.47 Favored 'General case' 0 N--CA 1.476 0.846 0 C-N-CA 125.073 1.349 . . . . 10.0 112.856 171.458 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . -58.07 -41.98 84.55 Favored 'General case' 0 CA--C 1.547 0.85 0 C-N-CA 125.084 1.354 . . . . 10.0 114.3 -176.868 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 96' ' ' LYS . . . . . . . . . . . . . 1.3 ptpm? -73.89 55.0 0.53 Allowed 'General case' 0 N--CA 1.486 1.332 0 C-N-CA 125.663 1.585 . . . . 10.0 113.925 179.171 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 97' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -65.33 149.37 50.1 Favored 'General case' 0 N--CA 1.474 0.763 0 C-N-CA 127.562 2.345 . . . . 10.0 114.251 179.204 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 98' ' ' CYS . . . . . . . . . . . . . 15.6 m -88.17 129.26 35.38 Favored 'General case' 0 CA--C 1.54 0.595 0 C-N-CA 123.942 0.897 . . . . 10.0 111.325 172.425 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 99' ' ' ASP . . . . . . . . . . . . . 6.6 p-10 -64.58 -32.58 74.3 Favored 'General case' 0 CA--C 1.545 0.755 0 C-N-CA 124.421 1.088 . . . . 10.0 113.816 179.698 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 100' ' ' PHE . . . . . . . . . . . . . 14.6 p90 -78.52 -5.79 53.66 Favored 'General case' 0 CA--C 1.543 0.706 0 N-CA-C 115.376 1.621 . . . . 10.0 115.376 -176.041 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 101' ' ' TRP . . . . . . . . . . . . . 17.0 m0 . . . . . 0 N--CA 1.474 0.732 0 CA-C-N 119.809 1.186 . . . . 10.0 113.303 -175.972 . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 1' ' ' ARG . . . . . . . . . . . . . 99.8 mtt180 . . . . . 0 N--CA 1.49 1.526 0 N-CA-C 110.15 -0.315 . . . . 10.0 110.15 . . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 2' ' ' VAL . . . . . . . . . . . . . 10.8 p -64.36 145.55 13.77 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.082 0 C-N-CA 124.644 1.178 . . . . 10.0 111.788 176.322 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -75.33 37.3 0.13 Allowed 'General case' 0 CA--C 1.553 1.066 0 C-N-CA 125.721 1.608 . . . . 10.0 114.398 -176.936 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 11.1 mm-40 -78.15 -39.17 41.89 Favored 'General case' 0 N--CA 1.473 0.725 0 C-N-CA 125.038 1.335 . . . . 10.0 111.797 169.921 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 5' ' ' ASN . . . . . . . . . . . . . 1.3 t30 -83.48 60.68 5.79 Favored 'General case' 0 CA--C 1.55 0.978 0 C-N-CA 125.205 1.402 . . . . 10.0 109.989 169.948 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 22.7 ptt-85 -92.87 151.6 40.9 Favored Pre-proline 0 N--CA 1.478 0.961 0 C-N-CA 127.552 2.341 . . . . 10.0 111.382 178.965 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 7' ' ' PRO . . . . . . . . . . . . . 31.6 Cg_endo -59.0 117.94 4.75 Favored 'Trans proline' 0 CA--C 1.538 0.717 0 C-N-CA 122.89 2.393 . . . . 10.0 111.234 -177.553 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . 115.95 -17.02 15.51 Favored Glycine 0 CA--C 1.54 1.65 0 C-N-CA 127.507 2.479 . . . . 10.0 113.899 -169.802 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -61.11 134.1 56.7 Favored 'General case' 0 CA--C 1.545 0.759 0 CA-C-N 119.799 1.799 . . . . 10.0 113.268 -172.09 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 10' ' ' PHE . . . . . . . . . . . . . 20.6 m-30 -60.15 148.2 36.98 Favored 'General case' 0 CA--C 1.541 0.634 0 C-N-CA 124.314 1.046 . . . . 10.0 113.406 174.592 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 67.4 mt -122.38 96.97 4.42 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.506 0 C-N-CA 125.97 1.708 . . . . 10.0 107.061 169.664 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 84.0 mttt -92.07 89.35 6.91 Favored 'General case' 0 N--CA 1.474 0.746 0 C-N-CA 125.111 1.364 . . . . 10.0 110.554 -177.652 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 26.4 mt-30 -79.19 -24.61 43.05 Favored 'General case' 0 CA--C 1.541 0.617 0 C-N-CA 124.099 0.959 . . . . 10.0 111.753 171.995 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . 82.74 6.83 88.11 Favored Glycine 0 CA--C 1.536 1.401 0 C-N-CA 125.025 1.298 . . . . 10.0 114.232 -179.569 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 46.4 ttp180 -69.83 128.33 36.01 Favored 'General case' 0 N--CA 1.47 0.561 0 C-N-CA 127.028 2.131 . . . . 10.0 110.877 177.553 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 48.8 tttm -70.75 133.97 47.03 Favored 'General case' 0 N--CA 1.474 0.751 0 C-N-CA 123.778 0.831 . . . . 10.0 110.66 171.655 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 62.3 mt -105.79 -179.78 4.04 Favored 'General case' 0 CA--C 1.546 0.79 0 C-N-CA 126.918 2.087 . . . . 10.0 111.986 177.775 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 19.7 t0 -130.37 99.45 5.02 Favored 'General case' 0 CA--C 1.542 0.66 0 C-N-CA 126.037 1.735 . . . . 10.0 110.435 175.452 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . 70.0 mt -138.32 134.31 43.87 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.747 0 C-N-CA 127.45 2.3 . . . . 10.0 108.351 -177.64 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 23.6 t0 -86.46 93.13 9.06 Favored 'General case' 0 CA--C 1.541 0.62 0 CA-C-O 122.054 0.931 . . . . 10.0 110.347 169.781 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 21' ' ' PHE . . . . . . . . . . . . . 80.0 m-85 -74.18 -31.4 62.65 Favored 'General case' 0 CA--C 1.54 0.57 0 C-N-CA 126.493 1.917 . . . . 10.0 112.402 172.34 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 120.43 157.66 10.25 Favored Glycine 0 CA--C 1.532 1.14 0 C-N-CA 127.254 2.359 . . . . 10.0 109.914 -169.279 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -40.92 -59.07 1.53 Allowed 'General case' 0 CA--C 1.545 0.767 0 N-CA-C 115.198 1.555 . . . . 10.0 115.198 -169.68 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 9.2 mm-40 -63.12 -46.41 87.45 Favored 'General case' 0 N--CA 1.474 0.761 0 C-N-CA 124.016 0.927 . . . . 10.0 112.237 179.896 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -63.92 -39.14 97.03 Favored Glycine 0 CA--C 1.532 1.141 0 C-N-CA 124.645 1.117 . . . . 10.0 114.091 179.276 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 92.9 m-20 -58.05 -51.83 68.03 Favored 'General case' 0 CA--C 1.536 0.418 0 C-N-CA 126.041 1.736 . . . . 10.0 110.334 174.553 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 39.4 mtm105 -58.78 -46.76 86.79 Favored 'General case' 0 N--CA 1.477 0.914 0 C-N-CA 123.682 0.793 . . . . 10.0 111.823 174.372 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 28' ' ' TYR . . . . . . . . . . . . . 79.7 t80 -58.84 -53.15 61.65 Favored 'General case' 0 CA--C 1.535 0.403 0 C-N-CA 124.016 0.927 . . . . 10.0 112.144 179.851 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 29' ' ' TYR . . . . . . . . . . . . . 80.4 t80 -56.78 -52.05 66.55 Favored 'General case' 0 CA--C 1.536 0.405 0 C-N-CA 124.445 1.098 . . . . 10.0 112.312 175.708 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -50.72 -37.75 43.39 Favored 'General case' 0 CA--C 1.546 0.826 0 N-CA-C 113.541 0.941 . . . . 10.0 113.541 177.485 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -83.33 -23.69 32.43 Favored 'General case' 0 CA--C 1.551 1.006 0 N-CA-C 115.299 1.592 . . . . 10.0 115.299 176.452 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 32' ' ' ASN . . . . . . . . . . . . . 56.2 m-80 -129.93 11.47 5.6 Favored 'General case' 0 CA--C 1.549 0.92 0 N-CA-C 116.736 2.125 . . . . 10.0 116.736 -169.109 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 33' ' ' TYR . . . . . . . . . . . . . 44.4 p90 -50.59 -30.92 14.43 Favored 'General case' 0 N--CA 1.479 0.986 0 N-CA-C 115.207 1.558 . . . . 10.0 115.207 -174.635 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 34' ' ' TRP . . . . . . . . . . . . . 66.2 p-90 -50.03 -34.36 21.11 Favored 'General case' 0 CA--C 1.545 0.772 0 C-N-CA 126.189 1.795 . . . . 10.0 114.472 174.507 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 31.9 mt-30 -70.01 -32.62 70.87 Favored 'General case' 0 N--CA 1.474 0.743 0 N-CA-C 114.34 1.237 . . . . 10.0 114.34 178.552 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 36' ' ' PHE . . . . . . . . . . . . . 68.9 m-85 -79.21 154.94 77.23 Favored Pre-proline 0 CA--C 1.547 0.859 0 C-N-CA 126.221 1.809 . . . . 10.0 114.803 -168.954 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 69.7 Cg_endo -74.08 133.32 17.89 Favored 'Trans proline' 0 CA--C 1.541 0.858 0 C-N-CA 124.008 3.139 . . . . 10.0 110.983 169.866 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 6.3 t70 -85.13 -34.45 22.14 Favored 'General case' 0 N--CA 1.474 0.751 0 C-N-CA 124.067 0.947 . . . . 10.0 111.423 171.369 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . -133.68 174.62 20.67 Favored Glycine 0 CA--C 1.532 1.135 0 C-N-CA 125.686 1.612 . . . . 10.0 112.132 171.991 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 40' ' ' ILE . . . . . . . . . . . . . 96.3 mt -136.69 126.15 37.94 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.628 0 C-N-CA 125.069 1.347 . . . . 10.0 108.562 176.978 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 41' ' ' TYR . . . . . . . . . . . . . 75.5 t80 -71.95 95.48 1.58 Allowed 'General case' 0 CA--C 1.536 0.426 0 C-N-CA 124.077 0.951 . . . . 10.0 109.59 169.848 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 42' ' ' TYR . . . . . . . . . . . . . 88.7 t80 -153.71 134.63 13.86 Favored 'General case' 0 C--O 1.236 0.379 0 C-N-CA 124.924 1.29 . . . . 10.0 109.961 174.281 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 47.0 mt-10 -130.94 80.36 1.94 Allowed 'General case' 0 N--CA 1.469 0.511 0 C-N-CA 125.36 1.464 . . . . 10.0 110.293 -177.339 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . -69.65 -29.26 71.4 Favored Glycine 0 CA--C 1.536 1.362 0 C-N-CA 124.9 1.238 . . . . 10.0 114.006 178.379 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 45' ' ' CYS . . . . . . . . . . . . . 64.5 m -58.29 127.07 30.26 Favored 'General case' 0 CA--C 1.543 0.705 0 C-N-CA 126.293 1.837 . . . . 10.0 112.894 -178.533 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 23.8 t -141.7 -58.71 0.48 Allowed 'General case' 0 N--CA 1.471 0.606 0 C-N-CA 125.59 1.556 . . . . 10.0 111.505 177.207 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 11.2 pt-20 -148.12 160.38 42.96 Favored 'General case' 0 N--CA 1.472 0.645 0 C-N-CA 125.802 1.641 . . . . 10.0 112.006 -179.93 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -55.5 -22.29 20.45 Favored 'General case' 0 CA--C 1.545 0.772 0 N-CA-C 115.811 1.782 . . . . 10.0 115.811 -175.22 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 74.2 m-20 -64.05 -30.54 71.6 Favored 'General case' 0 CA--C 1.546 0.799 0 C-N-CA 124.349 1.06 . . . . 10.0 113.333 171.814 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . 48.5 t -66.11 126.78 26.13 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.842 0 C-N-CA 124.335 1.054 . . . . 10.0 109.02 169.908 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 3.3 m -110.11 165.55 11.66 Favored 'General case' 0 N--CA 1.481 1.095 0 C-N-CA 124.295 1.038 . . . . 10.0 110.328 -176.723 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 82.9 tttt -58.45 -50.63 73.01 Favored 'General case' 0 N--CA 1.472 0.668 0 O-C-N 121.043 -1.036 . . . . 10.0 112.486 177.775 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 46.0 mt-10 -51.62 -45.25 63.2 Favored 'General case' 0 N--CA 1.475 0.802 0 C-N-CA 124.008 0.923 . . . . 10.0 112.48 175.388 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 54' ' ' MET . . . . . . . . . . . . . 89.6 mtp -58.18 -55.33 36.36 Favored 'General case' 0 N--CA 1.471 0.583 0 C-N-CA 124.579 1.152 . . . . 10.0 111.49 172.4 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 8.9 tt -58.68 -52.6 65.02 Favored 'General case' 0 CA--C 1.534 0.348 0 C-N-CA 125.1 1.36 . . . . 10.0 112.773 -176.805 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 46.0 t -58.07 -48.8 83.44 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.909 0 C-N-CA 124.319 1.048 . . . . 10.0 111.051 -178.888 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 57' ' ' THR . . . . . . . . . . . . . 48.7 m -58.27 -50.3 74.09 Favored 'General case' 0 N--CA 1.476 0.856 0 C-N-CA 124.253 1.021 . . . . 10.0 111.781 174.949 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 50.1 m -60.96 -39.79 90.87 Favored 'General case' 0 N--CA 1.472 0.649 0 C-N-CA 124.279 1.032 . . . . 10.0 112.589 178.089 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 59' ' ' CYS . . . . . . . . . . . . . 38.2 t -58.89 -49.55 77.35 Favored 'General case' 0 CA--C 1.536 0.421 0 C-N-CA 126.06 1.744 . . . . 10.0 112.391 173.526 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 60' ' ' VAL . . . . . . . . . . . . . 54.3 t -54.7 -49.61 66.78 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.96 0 C-N-CA 123.931 0.892 . . . . 10.0 111.346 172.241 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 61' ' ' ASN . . . . . . . . . . . . . 19.6 m-80 -58.26 -46.04 86.72 Favored 'General case' 0 CA--C 1.546 0.802 0 C-N-CA 124.731 1.212 . . . . 10.0 113.18 175.558 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -60.88 -47.24 87.27 Favored 'General case' 0 CA--C 1.537 0.453 0 C-N-CA 124.469 1.108 . . . . 10.0 111.31 175.376 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 63' ' ' THR . . . . . . . . . . . . . 28.5 m -55.92 -48.43 75.7 Favored 'General case' 0 N--CA 1.471 0.622 0 C-N-CA 125.135 1.374 . . . . 10.0 111.611 176.916 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 64' ' ' GLN . . . . . . . . . . . . . 68.8 mt-30 -49.81 -60.2 3.12 Favored 'General case' 0 N--CA 1.47 0.573 0 C-N-CA 124.689 1.196 . . . . 10.0 111.843 171.138 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -56.09 -42.89 77.43 Favored 'General case' 0 CA--C 1.544 0.716 0 C-N-CA 125.624 1.569 . . . . 10.0 113.712 -179.29 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -68.61 -42.67 77.79 Favored 'General case' 0 CA--C 1.542 0.667 0 C-N-CA 124.996 1.318 . . . . 10.0 114.101 -179.241 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 67' ' ' ASN . . . . . . . . . . . . . 7.6 m-80 -115.88 39.46 3.03 Favored 'General case' 0 CA--C 1.546 0.789 0 C-N-CA 124.544 1.138 . . . . 10.0 112.532 -169.683 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 68' ' ' GLN . . . . . . . . . . . . . 59.5 mt-30 -51.49 -48.32 62.92 Favored 'General case' 0 N--CA 1.475 0.778 0 C-N-CA 125.631 1.572 . . . . 10.0 113.258 -177.141 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -55.11 -48.78 73.15 Favored 'General case' 0 CA--C 1.541 0.62 0 C-N-CA 125.088 1.355 . . . . 10.0 113.041 179.802 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 10.0 mm-40 -54.36 -56.47 18.23 Favored 'General case' 0 N--CA 1.473 0.693 0 C-N-CA 124.945 1.298 . . . . 10.0 111.165 179.111 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 71' ' ' PHE . . . . . . . . . . . . . 26.3 m-85 -58.33 -51.52 69.44 Favored 'General case' 0 CA--C 1.535 0.398 0 C-N-CA 124.327 1.051 . . . . 10.0 112.224 177.5 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 65.7 m -55.5 -49.69 71.91 Favored 'General case' 0 N--CA 1.474 0.761 0 C-N-CA 124.966 1.306 . . . . 10.0 113.036 -178.749 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 73' ' ' ARG . . . . . . . . . . . . . 98.2 mtt180 -59.84 -51.24 70.55 Favored 'General case' 0 N--CA 1.475 0.784 0 C-N-CA 125.536 1.534 . . . . 10.0 112.187 177.857 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 41.8 mm-40 -66.31 -60.01 3.17 Favored 'General case' 0 CA--C 1.541 0.6 0 C-N-CA 124.676 1.191 . . . . 10.0 113.135 -178.596 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 43.0 tttm -35.26 -51.46 0.57 Allowed 'General case' 0 N--CA 1.479 1.022 0 C-N-CA 128.505 2.722 . . . . 10.0 116.212 -169.957 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 76' ' ' GLN . . . . . . . . . . . . . 17.3 mm100 -60.34 -19.88 57.17 Favored 'General case' 0 CA--C 1.545 0.77 0 N-CA-C 114.566 1.321 . . . . 10.0 114.566 -172.433 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 32.2 t70 -130.32 -45.33 1.11 Allowed 'General case' 0 N--CA 1.473 0.713 0 C-N-CA 125.741 1.616 . . . . 10.0 112.579 175.608 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -78.91 53.91 1.48 Allowed 'General case' 0 CA--C 1.545 0.761 0 C-N-CA 127.937 2.495 . . . . 10.0 112.726 -175.436 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 99.3 mttt -59.21 -48.86 80.04 Favored 'General case' 0 N--CA 1.476 0.869 0 C-N-CA 125.806 1.642 . . . . 10.0 112.815 -175.023 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 44.8 tp -59.34 -44.93 92.59 Favored 'General case' 0 N--CA 1.47 0.569 0 C-N-CA 123.656 0.783 . . . . 10.0 111.817 173.963 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 81' ' ' HIS . . . . . . . . . . . . . 17.2 t-160 -52.02 -52.91 47.67 Favored 'General case' 0 N--CA 1.471 0.595 0 CA-C-O 118.384 -0.817 . . . . 10.0 111.477 176.753 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 82' ' ' GLN . . . . . . . . . . . . . 20.6 mm100 -49.68 -54.19 20.11 Favored 'General case' 0 N--CA 1.472 0.636 0 C-N-CA 123.814 0.846 . . . . 10.0 112.554 176.756 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 83' ' ' ARG . . . . . . . . . . . . . 71.5 ttt-85 -51.35 -56.6 12.22 Favored 'General case' 0 N--CA 1.478 0.941 0 C-N-CA 124.345 1.058 . . . . 10.0 112.329 178.052 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 84' ' ' VAL . . . . . . . . . . . . . 45.9 t -58.52 -50.55 78.51 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.924 0 C-N-CA 125.809 1.643 . . . . 10.0 110.984 179.119 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 85' ' ' LEU . . . . . . . . . . . . . 48.9 tp -55.18 -50.34 69.59 Favored 'General case' 0 CA--C 1.537 0.476 0 C-N-CA 126.446 1.898 . . . . 10.0 112.313 177.461 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 86' ' ' TRP . . . . . . . . . . . . . 61.0 m95 -60.82 -43.68 97.89 Favored 'General case' 0 N--CA 1.47 0.528 0 N-CA-C 113.885 1.069 . . . . 10.0 113.885 175.489 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 87' ' ' ARG . . . . . . . . . . . . . 37.4 tpt85 -55.68 -45.51 77.76 Favored 'General case' 0 N--CA 1.476 0.849 0 C-N-CA 123.602 0.761 . . . . 10.0 112.116 173.246 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 88' ' ' LEU . . . . . . . . . . . . . 34.1 tp -64.51 -49.69 70.32 Favored 'General case' 0 CA--C 1.541 0.61 0 C-N-CA 125.037 1.335 . . . . 10.0 112.956 173.289 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 89' ' ' ILE . . . . . . . . . . . . . 66.8 mt -50.04 -49.39 21.9 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.82 0 CA-C-N 119.422 1.01 . . . . 10.0 110.429 173.649 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 85.4 tttt -56.82 -47.88 79.29 Favored 'General case' 0 N--CA 1.469 0.477 0 CA-C-O 118.123 -0.942 . . . . 10.0 112.699 173.463 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 25.2 tp10 -51.35 -50.82 58.75 Favored 'General case' 0 N--CA 1.475 0.794 0 CA-C-N 119.816 1.189 . . . . 10.0 112.34 173.562 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 92' ' ' ILE . . . . . . . . . . . . . 93.8 mt -58.1 -52.44 58.59 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.771 0 C-N-CA 124.837 1.255 . . . . 10.0 111.155 175.442 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 93' ' ' CYS . . . . . . . . . . . . . 81.1 m -56.26 -45.94 79.87 Favored 'General case' 0 CA--C 1.545 0.787 0 C-N-CA 124.403 1.081 . . . . 10.0 112.639 178.066 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 58.0 m -60.38 -38.45 83.99 Favored 'General case' 0 N--CA 1.475 0.782 0 C-N-CA 125.552 1.541 . . . . 10.0 113.68 171.806 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . -64.95 -51.64 60.7 Favored 'General case' 0 CA--C 1.544 0.718 0 C-N-CA 124.569 1.148 . . . . 10.0 113.118 -179.372 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 96' ' ' LYS . . . . . . . . . . . . . 1.5 ptpm? -59.81 119.15 7.13 Favored 'General case' 0 N--CA 1.48 1.033 0 C-N-CA 123.772 0.829 . . . . 10.0 111.897 178.849 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 97' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER -130.62 141.96 50.44 Favored 'General case' 0 N--CA 1.468 0.459 0 C-N-CA 126.063 1.745 . . . . 10.0 113.957 -169.888 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 98' ' ' CYS . . . . . . . . . . . . . 34.1 m -83.43 131.77 35.01 Favored 'General case' 0 CA--C 1.537 0.473 0 C-N-CA 123.53 0.732 . . . . 10.0 112.256 -179.477 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 99' ' ' ASP . . . . . . . . . . . . . 31.9 t70 -59.21 -38.96 81.21 Favored 'General case' 0 CA--C 1.543 0.702 0 C-N-CA 124.778 1.231 . . . . 10.0 113.022 178.138 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 100' ' ' PHE . . . . . . . . . . . . . 5.8 p90 -68.96 -14.24 62.92 Favored 'General case' 0 CA--C 1.544 0.721 0 N-CA-C 115.39 1.626 . . . . 10.0 115.39 -178.838 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 101' ' ' TRP . . . . . . . . . . . . . 22.1 m0 -57.96 129.83 43.76 Favored 'General case' 0 N--CA 1.472 0.674 0 CA-C-N 120.067 1.303 . . . . 10.0 112.672 -176.494 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 102' ' ' LEU . . . . . . . . . . . . . 4.3 pp -146.96 168.1 22.32 Favored 'General case' 0 CA--C 1.54 0.56 0 C-N-CA 127.124 2.17 . . . . 10.0 111.489 -170.43 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 46.5 mt-10 -76.37 92.86 3.39 Favored 'General case' 0 CA--C 1.542 0.665 0 C-N-CA 123.872 0.869 . . . . 10.0 110.942 176.246 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 104' ' ' ARG . . . . . . . . . . . . . 24.1 mtm180 -66.28 153.7 41.89 Favored 'General case' 0 N--CA 1.476 0.872 0 C-N-CA 124.672 1.189 . . . . 10.0 111.547 173.986 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 105' ' ' GLY . . . . . . . . . . . . . . . -137.46 131.09 5.37 Favored Glycine 0 CA--C 1.532 1.136 0 C-N-CA 125.252 1.406 . . . . 10.0 112.601 -179.036 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 106' ' ' ALA . . . . . . . . . . . . . . . -147.92 152.46 37.58 Favored 'General case' 0 CA--C 1.545 0.788 0 C-N-CA 126.139 1.776 . . . . 10.0 111.503 178.556 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 107' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.253 1.251 0 C-N-CA 125.349 1.46 . . . . 10.0 113.025 177.164 . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 1' ' ' ARG . . . . . . . . . . . . . 72.7 ttp85 . . . . . 0 N--CA 1.489 1.517 0 CA-C-O 119.232 -0.413 . . . . 10.0 110.793 . . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 2' ' ' VAL . . . . . . . . . . . . . 9.9 p -109.99 147.09 14.55 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.964 0 C-N-CA 125.96 1.704 . . . . 10.0 111.725 -179.394 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -70.79 155.19 41.08 Favored 'General case' 0 CA--C 1.545 0.768 0 C-N-CA 124.249 1.02 . . . . 10.0 112.421 174.022 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 29.1 mm-40 -66.71 -31.03 71.42 Favored 'General case' 0 N--CA 1.474 0.731 0 C-N-CA 124.301 1.041 . . . . 10.0 111.807 170.713 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 5' ' ' ASN . . . . . . . . . . . . . 13.6 t-20 -78.2 59.46 2.27 Favored 'General case' 0 CA--C 1.548 0.894 0 C-N-CA 126.117 1.767 . . . . 10.0 110.71 172.74 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -83.34 157.84 64.55 Favored Pre-proline 0 CA--C 1.546 0.802 0 C-N-CA 127.011 2.124 . . . . 10.0 112.154 171.978 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 7' ' ' PRO . . . . . . . . . . . . . 82.4 Cg_exo -48.68 124.72 11.46 Favored 'Trans proline' 0 C--N 1.35 0.651 0 C-N-CA 123.984 3.123 . . . . 10.0 113.662 178.808 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . 112.17 -20.37 21.51 Favored Glycine 0 CA--C 1.534 1.257 0 C-N-CA 126.184 1.849 . . . . 10.0 114.149 -174.019 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -57.93 129.82 43.66 Favored 'General case' 0 CA--C 1.547 0.838 0 CA-C-N 119.318 1.559 . . . . 10.0 113.445 -171.793 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 10' ' ' PHE . . . . . . . . . . . . . 14.7 m-30 -57.16 144.84 33.44 Favored 'General case' 0 CA--C 1.541 0.625 0 C-N-CA 125.055 1.342 . . . . 10.0 112.816 173.628 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 73.7 mt -122.33 105.66 16.56 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.509 0 C-N-CA 125.357 1.463 . . . . 10.0 107.165 169.799 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 78.5 mttt -106.64 107.38 18.36 Favored 'General case' 0 N--CA 1.471 0.615 0 C-N-CA 126.063 1.745 . . . . 10.0 109.638 178.069 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 31.8 mt-30 -112.78 -40.47 4.01 Favored 'General case' 0 CA--C 1.538 0.512 0 C-N-CA 127.616 2.367 . . . . 10.0 110.789 -178.459 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . 106.35 62.72 0.6 Allowed Glycine 0 CA--C 1.528 0.891 0 C-N-CA 125.825 1.679 . . . . 10.0 111.038 179.351 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 57.7 ttp85 -136.4 102.54 4.99 Favored 'General case' 0 N--CA 1.469 0.523 0 C-N-CA 126.538 1.935 . . . . 10.0 110.42 -169.665 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 40.9 tttm -65.91 129.95 41.56 Favored 'General case' 0 N--CA 1.473 0.702 0 C-N-CA 124.391 1.076 . . . . 10.0 111.307 179.348 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 65.0 mt -95.2 -179.87 4.95 Favored 'General case' 0 CA--C 1.547 0.84 0 C-N-CA 126.451 1.9 . . . . 10.0 111.986 174.25 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 25.9 t70 -129.18 100.42 5.61 Favored 'General case' 0 CA--C 1.542 0.651 0 C-N-CA 125.365 1.466 . . . . 10.0 110.501 173.616 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . 73.1 mt -135.32 131.89 52.04 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.707 0 C-N-CA 127.472 2.309 . . . . 10.0 108.018 -176.097 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 24.1 t0 -89.74 84.68 6.3 Favored 'General case' 0 CA--C 1.54 0.576 0 CA-C-O 122.048 0.928 . . . . 10.0 110.955 172.529 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 21' ' ' PHE . . . . . . . . . . . . . 83.8 m-85 -62.91 -43.16 99.54 Favored 'General case' 0 CA--C 1.539 0.553 0 C-N-CA 127.0 2.12 . . . . 10.0 111.89 170.837 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 132.16 157.47 8.64 Favored Glycine 0 CA--C 1.532 1.115 0 C-N-CA 128.186 2.803 . . . . 10.0 109.087 -169.306 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -40.63 -59.29 1.4 Allowed 'General case' 0 CA--C 1.547 0.848 0 CA-C-N 119.354 1.577 . . . . 10.0 115.151 -169.612 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 5.3 tp10 -65.7 -40.11 91.95 Favored 'General case' 0 N--CA 1.474 0.76 0 C-N-CA 124.01 0.924 . . . . 10.0 112.869 -179.553 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -67.49 -41.63 90.14 Favored Glycine 0 CA--C 1.533 1.204 0 C-N-CA 124.41 1.005 . . . . 10.0 113.66 177.344 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 78.5 m-20 -56.09 -50.53 70.77 Favored 'General case' 0 CA--C 1.535 0.399 0 C-N-CA 126.434 1.894 . . . . 10.0 110.27 172.354 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 30.8 mtp85 -55.09 -51.83 65.13 Favored 'General case' 0 N--CA 1.475 0.807 0 C-N-CA 125.613 1.565 . . . . 10.0 111.151 174.122 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 28' ' ' TYR . . . . . . . . . . . . . 62.6 t80 -57.77 -54.81 42.7 Favored 'General case' 0 CA--C 1.536 0.429 0 C-N-CA 124.369 1.068 . . . . 10.0 112.675 179.148 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 29' ' ' TYR . . . . . . . . . . . . . 78.8 t80 -56.62 -52.39 65.03 Favored 'General case' 0 CA--C 1.537 0.481 0 C-N-CA 124.249 1.02 . . . . 10.0 112.204 177.028 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -51.06 -39.66 56.51 Favored 'General case' 0 CA--C 1.546 0.792 0 N-CA-C 113.507 0.929 . . . . 10.0 113.507 177.087 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -80.66 -26.16 37.8 Favored 'General case' 0 CA--C 1.551 1.004 0 N-CA-C 115.18 1.548 . . . . 10.0 115.18 176.562 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 32' ' ' ASN . . . . . . . . . . . . . 55.6 m-80 -127.93 10.69 6.5 Favored 'General case' 0 CA--C 1.548 0.866 0 N-CA-C 116.914 2.19 . . . . 10.0 116.914 -169.021 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 33' ' ' TYR . . . . . . . . . . . . . 47.3 p90 -50.24 -31.53 14.28 Favored 'General case' 0 N--CA 1.479 1.004 0 C-N-CA 125.394 1.477 . . . . 10.0 114.834 -175.371 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 34' ' ' TRP . . . . . . . . . . . . . 64.9 p-90 -50.64 -33.65 23.25 Favored 'General case' 0 CA--C 1.545 0.781 0 C-N-CA 126.142 1.777 . . . . 10.0 114.445 173.803 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 30.7 mt-30 -69.59 -35.64 75.52 Favored 'General case' 0 N--CA 1.474 0.731 0 C-N-CA 124.354 1.062 . . . . 10.0 113.491 176.392 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 36' ' ' PHE . . . . . . . . . . . . . 54.3 m-85 -76.57 153.16 83.56 Favored Pre-proline 0 CA--C 1.544 0.724 0 C-N-CA 125.887 1.675 . . . . 10.0 113.256 -169.652 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 87.7 Cg_endo -73.36 102.71 1.51 Allowed 'Trans proline' 0 CA--C 1.537 0.638 0 C-N-CA 123.428 2.752 . . . . 10.0 109.951 169.591 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 3.3 p30 -66.67 -27.82 67.96 Favored 'General case' 0 N--CA 1.474 0.77 0 O-C-N 120.777 -1.202 . . . . 10.0 112.292 176.402 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . -125.95 165.44 19.12 Favored Glycine 0 CA--C 1.536 1.376 0 C-N-CA 125.404 1.478 . . . . 10.0 111.332 169.105 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 40' ' ' ILE . . . . . . . . . . . . . 95.2 mt -136.68 124.73 34.13 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.781 0 C-N-CA 124.802 1.241 . . . . 10.0 108.717 173.408 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 41' ' ' TYR . . . . . . . . . . . . . 85.7 t80 -73.23 117.68 15.27 Favored 'General case' 0 CA--C 1.534 0.357 0 C-N-CA 124.047 0.939 . . . . 10.0 109.494 169.961 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 42' ' ' TYR . . . . . . . . . . . . . 79.6 t80 -152.63 154.29 35.05 Favored 'General case' 0 CA--C 1.54 0.567 0 C-N-CA 124.004 0.922 . . . . 10.0 111.611 176.611 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 44.7 mt-10 -125.88 94.21 4.05 Favored 'General case' 0 N--CA 1.469 0.514 0 C-N-CA 125.873 1.669 . . . . 10.0 110.233 -176.691 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . -90.96 -55.64 1.84 Allowed Glycine 0 CA--C 1.532 1.102 0 C-N-CA 125.166 1.365 . . . . 10.0 113.978 -172.618 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 45' ' ' CYS . . . . . . . . . . . . . 74.3 m -56.64 118.88 5.29 Favored 'General case' 0 CA--C 1.546 0.808 0 C-N-CA 125.426 1.491 . . . . 10.0 112.551 177.685 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 66.6 p -137.84 -58.72 0.67 Allowed 'General case' 0 N--CA 1.473 0.679 0 C-N-CA 126.175 1.79 . . . . 10.0 111.353 171.077 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 12.2 pt-20 -143.72 153.23 42.24 Favored 'General case' 0 CA--C 1.542 0.67 0 C-N-CA 126.168 1.787 . . . . 10.0 112.761 177.048 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -54.05 -25.37 21.17 Favored 'General case' 0 CA--C 1.546 0.793 0 C-N-CA 126.138 1.775 . . . . 10.0 115.423 -175.262 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 78.5 m-20 -60.61 -30.7 70.01 Favored 'General case' 0 CA--C 1.544 0.741 0 C-N-CA 124.675 1.19 . . . . 10.0 113.353 174.729 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . 59.8 t -65.52 109.9 1.1 Allowed 'Isoleucine or valine' 0 N--CA 1.477 0.879 0 C-N-CA 124.822 1.249 . . . . 10.0 110.183 175.475 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 44.2 p -83.01 174.97 10.41 Favored 'General case' 0 N--CA 1.478 0.943 0 C-N-CA 124.673 1.189 . . . . 10.0 112.113 175.771 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 84.9 tttt -60.03 -50.0 75.46 Favored 'General case' 0 N--CA 1.474 0.773 0 O-C-N 121.163 -0.961 . . . . 10.0 111.799 169.806 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 44.9 mt-10 -51.29 -48.6 62.22 Favored 'General case' 0 N--CA 1.471 0.594 0 C-N-CA 124.072 0.949 . . . . 10.0 111.726 175.428 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 54' ' ' MET . . . . . . . . . . . . . 97.2 mtp -57.07 -56.26 24.08 Favored 'General case' 0 N--CA 1.469 0.479 0 C-N-CA 124.027 0.931 . . . . 10.0 112.441 172.029 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 6.4 tt -58.47 -55.18 38.4 Favored 'General case' 0 CA--C 1.54 0.559 0 C-N-CA 124.943 1.297 . . . . 10.0 112.18 -174.616 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 99.6 t -57.42 -48.65 82.31 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.822 0 C-N-CA 125.679 1.592 . . . . 10.0 111.252 -179.722 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 57' ' ' THR . . . . . . . . . . . . . 63.8 m -61.42 -47.76 84.3 Favored 'General case' 0 N--CA 1.478 0.947 0 C-N-CA 124.183 0.993 . . . . 10.0 111.749 176.691 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 61.6 m -60.04 -38.57 83.16 Favored 'General case' 0 N--CA 1.47 0.554 0 C-N-CA 124.221 1.008 . . . . 10.0 112.357 176.57 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 59' ' ' CYS . . . . . . . . . . . . . 34.6 t -57.65 -49.64 75.79 Favored 'General case' 0 CA--C 1.539 0.524 0 C-N-CA 124.988 1.315 . . . . 10.0 112.9 171.588 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 60' ' ' VAL . . . . . . . . . . . . . 42.4 t -55.67 -48.98 77.06 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.135 0 CA-C-N 119.258 0.935 . . . . 10.0 111.585 172.666 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 61' ' ' ASN . . . . . . . . . . . . . 18.2 m-80 -58.78 -45.24 90.26 Favored 'General case' 0 CA--C 1.544 0.726 0 C-N-CA 124.554 1.142 . . . . 10.0 112.949 176.076 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -61.54 -46.15 91.14 Favored 'General case' 0 CA--C 1.538 0.516 0 C-N-CA 124.411 1.085 . . . . 10.0 111.371 175.032 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 63' ' ' THR . . . . . . . . . . . . . 33.9 m -54.87 -49.01 72.21 Favored 'General case' 0 N--CA 1.472 0.644 0 C-N-CA 125.447 1.499 . . . . 10.0 111.757 175.865 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 64' ' ' GLN . . . . . . . . . . . . . 71.2 mt-30 -50.26 -59.35 4.05 Favored 'General case' 0 N--CA 1.469 0.522 0 C-N-CA 124.594 1.157 . . . . 10.0 112.054 171.753 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -56.04 -42.19 76.17 Favored 'General case' 0 CA--C 1.546 0.798 0 C-N-CA 125.441 1.496 . . . . 10.0 113.744 179.819 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -70.65 -35.64 72.99 Favored 'General case' 0 CA--C 1.545 0.757 0 C-N-CA 125.234 1.414 . . . . 10.0 114.656 -178.788 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 67' ' ' ASN . . . . . . . . . . . . . 7.1 m-80 -124.73 40.35 3.76 Favored 'General case' 0 N--CA 1.476 0.845 0 C-N-CA 124.042 0.937 . . . . 10.0 113.108 -169.631 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 68' ' ' GLN . . . . . . . . . . . . . 92.1 mt-30 -52.89 -46.7 68.09 Favored 'General case' 0 N--CA 1.475 0.793 0 C-N-CA 125.806 1.642 . . . . 10.0 113.611 -176.046 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -55.03 -49.32 71.87 Favored 'General case' 0 CA--C 1.541 0.613 0 C-N-CA 124.993 1.317 . . . . 10.0 112.767 179.796 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 10.4 mm-40 -56.39 -51.57 67.83 Favored 'General case' 0 N--CA 1.471 0.582 0 C-N-CA 124.941 1.297 . . . . 10.0 111.862 178.831 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 71' ' ' PHE . . . . . . . . . . . . . 34.6 m-85 -61.03 -43.12 99.36 Favored 'General case' 0 N--CA 1.468 0.473 0 C-N-CA 123.749 0.819 . . . . 10.0 112.851 175.922 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 56.9 m -58.1 -49.96 75.15 Favored 'General case' 0 N--CA 1.473 0.71 0 C-N-CA 124.451 1.1 . . . . 10.0 112.187 176.195 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 73' ' ' ARG . . . . . . . . . . . . . 93.7 mtt180 -58.38 -61.16 2.78 Favored 'General case' 0 N--CA 1.475 0.808 0 C-N-CA 126.273 1.829 . . . . 10.0 111.994 176.252 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 67.1 mm-40 -79.92 47.23 0.86 Allowed 'General case' 0 N--CA 1.473 0.714 0 C-N-CA 125.821 1.648 . . . . 10.0 112.714 -173.854 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 84.4 tttt -147.29 -33.55 0.27 Allowed 'General case' 0 N--CA 1.475 0.795 0 C-N-CA 126.705 2.002 . . . . 10.0 113.32 178.758 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 76' ' ' GLN . . . . . . . . . . . . . 92.6 mm-40 -48.14 -48.12 34.37 Favored 'General case' 0 N--CA 1.476 0.865 0 C-N-CA 125.629 1.572 . . . . 10.0 113.185 -177.883 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 25.4 t0 -139.51 57.22 1.64 Allowed 'General case' 0 CA--C 1.545 0.763 0 C-N-CA 125.284 1.433 . . . . 10.0 110.344 169.947 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 10.7 t -153.54 131.2 11.5 Favored 'General case' 0 N--CA 1.472 0.656 0 C-N-CA 125.34 1.456 . . . . 10.0 111.46 -178.867 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 24.4 ttmm -124.57 -59.59 1.44 Allowed 'General case' 0 N--CA 1.478 0.933 0 C-N-CA 126.22 1.808 . . . . 10.0 111.358 -177.151 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 50.1 tp -51.25 -44.01 61.64 Favored 'General case' 0 CA--C 1.538 0.515 0 C-N-CA 125.514 1.525 . . . . 10.0 112.203 176.767 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 81' ' ' HIS . . . . . . . . . . . . . 8.7 t-160 -56.28 -54.16 48.72 Favored 'General case' 0 N--CA 1.468 0.462 0 CA-C-O 118.078 -0.963 . . . . 10.0 111.806 177.064 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 82' ' ' GLN . . . . . . . . . . . . . 89.2 mm-40 -49.9 -54.41 19.8 Favored 'General case' 0 N--CA 1.477 0.91 0 CA-C-N 119.539 1.063 . . . . 10.0 112.176 177.015 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 83' ' ' ARG . . . . . . . . . . . . . 25.7 mmm180 -50.98 -55.68 16.14 Favored 'General case' 0 N--CA 1.479 0.977 0 C-N-CA 124.916 1.287 . . . . 10.0 112.296 -179.817 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 84' ' ' VAL . . . . . . . . . . . . . 43.4 t -63.19 -49.51 82.91 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.819 0 C-N-CA 125.408 1.483 . . . . 10.0 111.108 178.292 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 85' ' ' LEU . . . . . . . . . . . . . 46.2 tp -56.29 -46.41 79.77 Favored 'General case' 0 N--CA 1.47 0.545 0 C-N-CA 126.277 1.831 . . . . 10.0 112.939 -179.923 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 86' ' ' TRP . . . . . . . . . . . . . 64.9 m95 -63.5 -44.21 94.98 Favored 'General case' 0 N--CA 1.467 0.408 0 N-CA-C 113.719 1.007 . . . . 10.0 113.719 175.841 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 87' ' ' ARG . . . . . . . . . . . . . 14.8 tpt180 -56.82 -50.82 71.23 Favored 'General case' 0 N--CA 1.475 0.794 0 CA-C-N 118.741 0.7 . . . . 10.0 111.507 170.585 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 88' ' ' LEU . . . . . . . . . . . . . 2.4 tm? -51.66 -55.07 21.54 Favored 'General case' 0 CA--C 1.544 0.726 0 C-N-CA 126.389 1.876 . . . . 10.0 111.782 175.44 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 89' ' ' ILE . . . . . . . . . . . . . 74.2 mt -53.53 -52.47 32.72 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.798 0 C-N-CA 124.683 1.193 . . . . 10.0 110.965 174.074 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 39.9 ttmt -58.84 -43.46 90.71 Favored 'General case' 0 N--CA 1.47 0.571 0 C-N-CA 124.431 1.092 . . . . 10.0 113.259 -179.688 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 51.4 mm-40 -56.35 -48.89 75.88 Favored 'General case' 0 N--CA 1.473 0.719 0 CA-C-N 119.713 1.142 . . . . 10.0 111.996 172.464 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 92' ' ' ILE . . . . . . . . . . . . . 96.8 mt -57.82 -51.42 70.54 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.802 0 C-N-CA 124.186 0.994 . . . . 10.0 111.115 174.296 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 93' ' ' CYS . . . . . . . . . . . . . 92.1 m -56.97 -45.47 82.89 Favored 'General case' 0 CA--C 1.546 0.798 0 C-N-CA 124.096 0.958 . . . . 10.0 112.66 175.603 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 70.5 m -54.76 -38.04 66.71 Favored 'General case' 0 N--CA 1.476 0.874 0 C-N-CA 125.989 1.716 . . . . 10.0 113.546 177.156 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . -67.17 -17.08 64.68 Favored 'General case' 0 CA--C 1.548 0.892 0 N-CA-C 114.789 1.403 . . . . 10.0 114.789 178.455 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 96' ' ' LYS . . . . . . . . . . . . . 46.4 mttm -77.25 59.62 1.82 Allowed 'General case' 0 N--CA 1.481 1.114 0 C-N-CA 125.6 1.56 . . . . 10.0 113.168 -173.929 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 97' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER -68.45 126.25 29.04 Favored 'General case' 0 N--CA 1.471 0.618 0 C-N-CA 124.665 1.186 . . . . 10.0 112.428 177.754 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 98' ' ' CYS . . . . . . . . . . . . . 17.7 t -82.28 144.67 30.45 Favored 'General case' 0 CA--C 1.542 0.641 0 N-CA-C 113.315 0.858 . . . . 10.0 113.315 -178.248 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 99' ' ' ASP . . . . . . . . . . . . . 31.5 t70 -61.46 -48.3 81.75 Favored 'General case' 0 CA--C 1.542 0.654 0 C-N-CA 125.995 1.718 . . . . 10.0 113.582 179.208 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 100' ' ' PHE . . . . . . . . . . . . . 1.0 OUTLIER -71.55 -10.45 59.78 Favored 'General case' 0 N--CA 1.473 0.681 0 N-CA-C 115.432 1.641 . . . . 10.0 115.432 -173.397 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 101' ' ' TRP . . . . . . . . . . . . . 42.2 m0 -55.99 129.93 41.77 Favored 'General case' 0 N--CA 1.473 0.709 0 CA-C-N 119.684 1.129 . . . . 10.0 113.674 -176.986 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 102' ' ' LEU . . . . . . . . . . . . . 7.0 mp -70.22 156.33 39.39 Favored 'General case' 0 CA--C 1.542 0.661 0 C-N-CA 126.366 1.866 . . . . 10.0 111.877 -176.468 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 38.6 tt0 -72.06 104.45 3.58 Favored 'General case' 0 CA--C 1.543 0.679 0 C-N-CA 124.073 0.949 . . . . 10.0 110.949 174.144 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 104' ' ' ARG . . . . . . . . . . . . . 9.4 mmm180 -125.97 152.52 45.57 Favored 'General case' 0 N--CA 1.477 0.888 0 C-N-CA 126.076 1.75 . . . . 10.0 111.609 179.267 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 105' ' ' GLY . . . . . . . . . . . . . . . -83.57 166.01 43.07 Favored Glycine 0 CA--C 1.536 1.404 0 C-N-CA 124.755 1.169 . . . . 10.0 113.652 177.88 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 106' ' ' ALA . . . . . . . . . . . . . . . -66.97 152.12 46.34 Favored 'General case' 0 CA--C 1.547 0.864 0 C-N-CA 124.622 1.169 . . . . 10.0 112.812 176.044 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 107' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.255 1.379 0 C-N-CA 126.57 1.948 . . . . 10.0 112.028 178.798 . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 1' ' ' ARG . . . . . . . . . . . . . 39.8 ptt180 . . . . . 0 N--CA 1.491 1.6 0 N-CA-C 111.504 0.187 . . . . 10.0 111.504 . . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 2' ' ' VAL . . . . . . . . . . . . . 30.3 t -91.65 -82.4 0.17 Allowed 'Isoleucine or valine' 0 N--CA 1.481 1.088 0 C-N-CA 124.639 1.176 . . . . 10.0 111.296 -176.912 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -153.92 -159.7 1.01 Allowed 'General case' 0 CA--C 1.55 0.943 0 C-N-CA 125.192 1.397 . . . . 10.0 112.187 -171.439 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 46.1 mt-10 -60.25 -33.21 71.97 Favored 'General case' 0 N--CA 1.477 0.877 0 C-N-CA 126.333 1.853 . . . . 10.0 113.242 175.144 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 5' ' ' ASN . . . . . . . . . . . . . 2.5 m120 -121.57 66.75 0.89 Allowed 'General case' 0 CA--C 1.54 0.562 0 C-N-CA 126.315 1.846 . . . . 10.0 109.742 175.41 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 4.0 ptp180 -72.61 146.21 88.24 Favored Pre-proline 0 N--CA 1.475 0.816 0 C-N-CA 124.746 1.219 . . . . 10.0 109.7 169.162 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 7' ' ' PRO . . . . . . . . . . . . . 75.2 Cg_exo -50.58 114.77 1.6 Allowed 'Trans proline' 0 CA--C 1.541 0.828 0 C-N-CA 123.043 2.495 . . . . 10.0 112.414 175.77 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . 111.09 -10.99 29.21 Favored Glycine 0 CA--C 1.539 1.54 0 C-N-CA 126.404 1.954 . . . . 10.0 115.081 -173.95 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -59.2 130.64 47.94 Favored 'General case' 0 CA--C 1.545 0.769 0 CA-C-N 120.21 2.005 . . . . 10.0 113.405 -173.045 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 10' ' ' PHE . . . . . . . . . . . . . 15.3 m-30 -58.6 147.0 33.99 Favored 'General case' 0 CA--C 1.541 0.625 0 C-N-CA 123.853 0.861 . . . . 10.0 112.572 170.715 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 65.1 mt -120.92 94.93 3.23 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.468 0 C-N-CA 125.878 1.671 . . . . 10.0 106.995 169.725 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 58.5 mtmt -91.71 80.51 5.31 Favored 'General case' 0 N--CA 1.475 0.792 0 C-N-CA 125.598 1.559 . . . . 10.0 111.119 -173.303 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 24.3 mt-30 -74.21 -31.59 62.69 Favored 'General case' 0 N--CA 1.472 0.655 0 C-N-CA 123.795 0.838 . . . . 10.0 111.478 169.962 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . 74.35 58.91 4.07 Favored Glycine 0 CA--C 1.532 1.136 0 C-N-CA 124.895 1.236 . . . . 10.0 112.063 178.535 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 33.7 ttp180 -124.16 133.24 53.62 Favored 'General case' 0 N--CA 1.473 0.686 0 C-N-CA 127.226 2.211 . . . . 10.0 110.304 -172.359 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 79.8 tttt -73.21 100.93 3.22 Favored 'General case' 0 N--CA 1.475 0.777 0 C-N-CA 125.487 1.515 . . . . 10.0 111.888 -176.076 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 68.9 mt -78.95 163.21 25.42 Favored 'General case' 0 CA--C 1.544 0.734 0 C-N-CA 126.567 1.947 . . . . 10.0 112.356 177.109 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 11.4 m-20 -103.77 91.39 3.98 Favored 'General case' 0 CA--C 1.544 0.732 0 C-N-CA 126.112 1.765 . . . . 10.0 110.473 175.621 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . 78.9 mt -136.92 129.95 44.97 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.892 0 C-N-CA 126.608 1.963 . . . . 10.0 108.564 -179.202 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 23.0 t0 -92.23 84.93 5.29 Favored 'General case' 0 N--CA 1.471 0.588 0 C-N-CA 123.998 0.919 . . . . 10.0 110.594 172.525 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 21' ' ' PHE . . . . . . . . . . . . . 84.7 m-85 -63.78 -36.48 84.02 Favored 'General case' 0 CA--C 1.538 0.493 0 C-N-CA 127.104 2.161 . . . . 10.0 112.808 175.739 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 125.93 158.9 10.09 Favored Glycine 0 CA--C 1.533 1.211 0 C-N-CA 127.656 2.55 . . . . 10.0 110.154 -169.471 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -42.6 -57.05 2.85 Favored 'General case' 0 CA--C 1.548 0.868 0 N-CA-C 115.384 1.624 . . . . 10.0 115.384 -169.729 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 31.2 mm-40 -64.14 -47.39 80.12 Favored 'General case' 0 N--CA 1.473 0.716 0 C-N-CA 124.074 0.95 . . . . 10.0 112.188 178.973 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -64.15 -39.1 96.83 Favored Glycine 0 CA--C 1.532 1.096 0 C-N-CA 124.457 1.027 . . . . 10.0 113.975 179.832 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 94.2 m-20 -57.77 -51.39 69.74 Favored 'General case' 0 CA--C 1.536 0.431 0 C-N-CA 125.754 1.622 . . . . 10.0 110.452 173.651 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 72.9 mtp85 -58.57 -47.17 85.16 Favored 'General case' 0 N--CA 1.475 0.79 0 C-N-CA 124.938 1.295 . . . . 10.0 111.644 176.038 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 28' ' ' TYR . . . . . . . . . . . . . 71.5 t80 -59.19 -54.15 50.23 Favored 'General case' 0 CA--C 1.536 0.407 0 C-N-CA 124.574 1.149 . . . . 10.0 111.896 177.727 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 29' ' ' TYR . . . . . . . . . . . . . 74.0 t80 -56.64 -52.02 66.49 Favored 'General case' 0 CA--C 1.535 0.391 0 C-N-CA 124.917 1.287 . . . . 10.0 112.537 177.514 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -50.36 -35.77 29.41 Favored 'General case' 0 CA--C 1.546 0.809 0 N-CA-C 113.802 1.038 . . . . 10.0 113.802 177.06 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -86.25 -19.01 30.59 Favored 'General case' 0 CA--C 1.551 1.005 0 N-CA-C 115.151 1.537 . . . . 10.0 115.151 176.345 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 32' ' ' ASN . . . . . . . . . . . . . 64.0 m-80 -131.16 6.44 4.55 Favored 'General case' 0 CA--C 1.548 0.888 0 N-CA-C 116.842 2.164 . . . . 10.0 116.842 -169.239 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 33' ' ' TYR . . . . . . . . . . . . . 41.0 p90 -50.22 -29.85 10.32 Favored 'General case' 0 N--CA 1.479 0.976 0 C-N-CA 125.906 1.682 . . . . 10.0 115.256 -175.125 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 34' ' ' TRP . . . . . . . . . . . . . 64.7 p-90 -51.34 -35.64 39.21 Favored 'General case' 0 CA--C 1.545 0.762 0 C-N-CA 126.138 1.775 . . . . 10.0 114.041 173.105 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 30.1 mt-30 -70.55 -39.56 73.9 Favored 'General case' 0 N--CA 1.473 0.709 0 C-N-CA 124.897 1.279 . . . . 10.0 113.801 177.731 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 36' ' ' PHE . . . . . . . . . . . . . 71.7 m-85 -68.52 153.45 95.71 Favored Pre-proline 0 CA--C 1.546 0.791 0 C-N-CA 125.823 1.649 . . . . 10.0 115.333 -168.968 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 97.4 Cg_endo -71.77 128.24 13.98 Favored 'Trans proline' 0 CA--C 1.539 0.754 0 C-N-CA 123.591 2.86 . . . . 10.0 110.449 169.803 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 8.6 t70 -84.7 -34.47 22.95 Favored 'General case' 0 CA--C 1.543 0.676 0 C-N-CA 124.977 1.311 . . . . 10.0 111.525 173.445 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . -131.87 172.02 21.12 Favored Glycine 0 CA--C 1.532 1.13 0 C-N-CA 125.835 1.683 . . . . 10.0 111.886 171.341 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 40' ' ' ILE . . . . . . . . . . . . . 96.8 mt -136.74 124.54 33.26 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.568 0 C-N-CA 125.038 1.335 . . . . 10.0 108.367 173.836 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 41' ' ' TYR . . . . . . . . . . . . . 86.3 t80 -71.61 101.15 2.44 Favored 'General case' 0 CA--C 1.538 0.496 0 C-N-CA 123.79 0.836 . . . . 10.0 110.05 170.272 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 42' ' ' TYR . . . . . . . . . . . . . 89.5 t80 -156.62 137.1 13.06 Favored 'General case' 0 CA--C 1.534 0.343 0 C-N-CA 125.337 1.455 . . . . 10.0 110.02 173.043 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 43.9 mt-10 -131.5 81.38 1.98 Allowed 'General case' 0 N--CA 1.47 0.551 0 C-N-CA 125.465 1.506 . . . . 10.0 110.462 -174.562 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . -76.09 -38.63 34.54 Favored Glycine 0 CA--C 1.534 1.255 0 C-N-CA 124.866 1.222 . . . . 10.0 113.848 -179.465 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 45' ' ' CYS . . . . . . . . . . . . . 63.8 m -55.83 112.15 1.1 Allowed 'General case' 0 CA--C 1.543 0.679 0 C-N-CA 125.995 1.718 . . . . 10.0 112.507 -176.782 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 49.6 m -131.83 -57.27 0.99 Allowed 'General case' 0 N--CA 1.474 0.75 0 C-N-CA 125.723 1.609 . . . . 10.0 111.713 -175.198 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 11.2 pt-20 -149.59 160.74 43.24 Favored 'General case' 0 CA--C 1.541 0.6 0 C-N-CA 125.943 1.697 . . . . 10.0 111.652 179.9 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -53.05 -27.45 19.84 Favored 'General case' 0 CA--C 1.547 0.829 0 C-N-CA 126.041 1.736 . . . . 10.0 115.358 -175.292 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 73.9 m-20 -62.43 -30.71 71.43 Favored 'General case' 0 CA--C 1.545 0.753 0 C-N-CA 124.65 1.18 . . . . 10.0 113.555 174.941 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . 61.7 t -68.47 117.57 10.9 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.884 0 C-N-CA 124.69 1.196 . . . . 10.0 109.692 173.792 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 44.8 p -97.55 176.64 5.78 Favored 'General case' 0 N--CA 1.478 0.948 0 C-N-CA 124.705 1.202 . . . . 10.0 112.354 179.428 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 39.8 ttpt -61.59 -56.09 23.73 Favored 'General case' 0 N--CA 1.473 0.677 0 C-N-CA 123.842 0.857 . . . . 10.0 112.177 172.132 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 12.6 pt-20 -54.16 -38.79 65.92 Favored 'General case' 0 N--CA 1.472 0.66 0 N-CA-C 112.747 0.647 . . . . 10.0 112.747 177.543 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 54' ' ' MET . . . . . . . . . . . . . 94.3 mtp -59.99 -58.21 9.54 Favored 'General case' 0 N--CA 1.469 0.494 0 C-N-CA 123.586 0.754 . . . . 10.0 111.527 169.564 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 9.4 tt -59.27 -53.89 53.11 Favored 'General case' 0 N--CA 1.467 0.385 0 C-N-CA 124.341 1.057 . . . . 10.0 112.768 -174.513 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 31.8 t -59.03 -47.46 89.88 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.851 0 C-N-CA 124.179 0.991 . . . . 10.0 111.019 -176.203 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 57' ' ' THR . . . . . . . . . . . . . 48.0 m -58.83 -50.3 74.48 Favored 'General case' 0 N--CA 1.477 0.884 0 C-N-CA 124.432 1.093 . . . . 10.0 111.873 173.939 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 50.5 m -60.44 -40.48 91.29 Favored 'General case' 0 N--CA 1.473 0.689 0 C-N-CA 124.106 0.962 . . . . 10.0 112.577 178.262 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 59' ' ' CYS . . . . . . . . . . . . . 42.2 t -58.92 -50.1 75.32 Favored 'General case' 0 CA--C 1.536 0.433 0 C-N-CA 125.999 1.72 . . . . 10.0 112.337 173.467 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 60' ' ' VAL . . . . . . . . . . . . . 45.6 t -54.29 -50.28 57.62 Favored 'Isoleucine or valine' 0 N--CA 1.479 1.002 0 C-N-CA 123.904 0.882 . . . . 10.0 111.302 171.657 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 61' ' ' ASN . . . . . . . . . . . . . 15.8 m-80 -57.94 -44.79 87.17 Favored 'General case' 0 CA--C 1.544 0.75 0 C-N-CA 124.59 1.156 . . . . 10.0 113.334 176.218 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -60.89 -48.65 80.85 Favored 'General case' 0 CA--C 1.539 0.554 0 C-N-CA 124.211 1.004 . . . . 10.0 111.056 174.116 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 63' ' ' THR . . . . . . . . . . . . . 32.4 m -53.67 -50.14 66.46 Favored 'General case' 0 N--CA 1.471 0.617 0 C-N-CA 125.571 1.548 . . . . 10.0 111.723 177.073 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 64' ' ' GLN . . . . . . . . . . . . . 42.1 mt-30 -47.35 -60.85 2.22 Favored 'General case' 0 N--CA 1.471 0.597 0 C-N-CA 125.432 1.493 . . . . 10.0 111.985 173.156 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -56.93 -42.86 80.8 Favored 'General case' 0 CA--C 1.544 0.713 0 C-N-CA 125.637 1.575 . . . . 10.0 113.227 179.462 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -67.16 -37.76 84.29 Favored 'General case' 0 CA--C 1.543 0.695 0 C-N-CA 125.221 1.409 . . . . 10.0 114.712 -178.131 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 67' ' ' ASN . . . . . . . . . . . . . 8.6 m-80 -122.05 41.14 3.46 Favored 'General case' 0 CA--C 1.548 0.87 0 C-N-CA 124.538 1.135 . . . . 10.0 112.68 -169.79 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 68' ' ' GLN . . . . . . . . . . . . . 60.3 mt-30 -54.24 -44.86 72.13 Favored 'General case' 0 N--CA 1.475 0.799 0 C-N-CA 125.461 1.504 . . . . 10.0 113.362 -178.684 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -56.88 -39.18 73.88 Favored 'General case' 0 CA--C 1.543 0.69 0 C-N-CA 124.969 1.308 . . . . 10.0 113.279 177.683 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 5.5 mm-40 -64.63 -58.69 5.64 Favored 'General case' 0 N--CA 1.469 0.504 0 C-N-CA 124.502 1.121 . . . . 10.0 110.425 173.984 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 71' ' ' PHE . . . . . . . . . . . . . 30.0 m-85 -61.31 -29.07 69.65 Favored 'General case' 0 N--CA 1.471 0.589 0 N-CA-C 114.718 1.377 . . . . 10.0 114.718 -177.54 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 66.3 m -63.93 -57.2 10.49 Favored 'General case' 0 N--CA 1.473 0.686 0 C-N-CA 123.94 0.896 . . . . 10.0 111.758 172.696 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 73' ' ' ARG . . . . . . . . . . . . . 13.2 mtp-105 -65.35 -53.26 46.18 Favored 'General case' 0 N--CA 1.475 0.814 0 C-N-CA 126.118 1.767 . . . . 10.0 112.712 -179.861 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 76.1 mm-40 -79.84 46.8 0.81 Allowed 'General case' 0 CA--C 1.546 0.805 0 C-N-CA 126.045 1.738 . . . . 10.0 112.766 -174.876 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 41.4 ttmt -155.31 -61.46 0.11 Allowed 'General case' 0 N--CA 1.471 0.61 0 C-N-CA 128.831 2.852 . . . . 10.0 110.526 -176.187 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 76' ' ' GLN . . . . . . . . . . . . . 81.8 mm-40 -56.37 -54.02 50.43 Favored 'General case' 0 CA--C 1.538 0.491 0 C-N-CA 125.574 1.55 . . . . 10.0 111.696 178.874 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 26.8 t70 -83.56 -57.55 3.19 Favored 'General case' 0 CA--C 1.543 0.688 0 C-N-CA 123.786 0.835 . . . . 10.0 111.4 171.373 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 16.3 m -80.82 86.22 6.03 Favored 'General case' 0 N--CA 1.472 0.634 0 C-N-CA 125.12 1.368 . . . . 10.0 112.998 -173.24 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 63.0 tttp -55.45 -63.64 1.1 Allowed 'General case' 0 N--CA 1.477 0.918 0 C-N-CA 126.049 1.74 . . . . 10.0 113.429 -178.194 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 48.0 tp -66.34 -31.01 71.54 Favored 'General case' 0 N--CA 1.474 0.73 0 C-N-CA 125.047 1.339 . . . . 10.0 113.611 -175.147 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 81' ' ' HIS . . . . . . . . . . . . . 7.4 t-160 -51.68 -45.07 63.31 Favored 'General case' 0 N--CA 1.472 0.645 0 C-N-CA 124.585 1.154 . . . . 10.0 112.886 -171.466 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 82' ' ' GLN . . . . . . . . . . . . . 75.9 mm-40 -45.73 -59.54 2.72 Favored 'General case' 0 N--CA 1.475 0.787 0 C-N-CA 125.414 1.486 . . . . 10.0 113.366 178.059 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 83' ' ' ARG . . . . . . . . . . . . . 11.0 tpt180 -46.0 -57.06 4.73 Favored 'General case' 0 N--CA 1.481 1.118 0 C-N-CA 125.886 1.674 . . . . 10.0 111.839 177.825 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 84' ' ' VAL . . . . . . . . . . . . . 5.7 t -61.96 -54.08 39.27 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.589 0 C-N-CA 125.559 1.544 . . . . 10.0 110.85 -178.22 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 85' ' ' LEU . . . . . . . . . . . . . 32.8 tp -56.46 -50.9 70.36 Favored 'General case' 0 CA--C 1.537 0.478 0 C-N-CA 126.202 1.801 . . . . 10.0 112.619 -179.354 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 86' ' ' TRP . . . . . . . . . . . . . 59.7 m95 -60.29 -43.37 96.34 Favored 'General case' 0 N--CA 1.468 0.472 0 N-CA-C 113.673 0.99 . . . . 10.0 113.673 176.329 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 87' ' ' ARG . . . . . . . . . . . . . 14.4 tpt180 -56.66 -49.95 73.53 Favored 'General case' 0 N--CA 1.471 0.624 0 CA-C-N 118.832 0.742 . . . . 10.0 111.072 172.425 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 88' ' ' LEU . . . . . . . . . . . . . 1.5 tt -54.65 -52.98 60.62 Favored 'General case' 0 CA--C 1.545 0.768 0 C-N-CA 124.515 1.126 . . . . 10.0 111.801 175.83 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 89' ' ' ILE . . . . . . . . . . . . . 74.4 mt -50.3 -52.06 16.19 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.73 0 C-N-CA 124.831 1.252 . . . . 10.0 111.062 174.065 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 96.9 mttt -59.47 -44.45 93.01 Favored 'General case' 0 N--CA 1.473 0.707 0 C-N-CA 124.401 1.081 . . . . 10.0 113.428 177.624 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 65.9 mm-40 -53.53 -51.57 62.44 Favored 'General case' 0 N--CA 1.474 0.746 0 CA-C-N 119.71 1.141 . . . . 10.0 111.765 170.887 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 92' ' ' ILE . . . . . . . . . . . . . 96.7 mt -57.65 -53.5 43.85 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.935 0 C-N-CA 124.269 1.028 . . . . 10.0 111.651 175.331 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 93' ' ' CYS . . . . . . . . . . . . . 62.8 m -56.37 -40.2 74.17 Favored 'General case' 0 CA--C 1.545 0.762 0 C-N-CA 124.707 1.203 . . . . 10.0 112.52 179.419 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 50.5 m -63.31 -45.63 90.43 Favored 'General case' 0 N--CA 1.476 0.842 0 C-N-CA 125.046 1.339 . . . . 10.0 112.7 171.477 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . -59.99 -39.58 86.23 Favored 'General case' 0 CA--C 1.545 0.759 0 C-N-CA 125.492 1.517 . . . . 10.0 114.225 -175.58 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 96' ' ' LYS . . . . . . . . . . . . . 1.1 ptpm? -72.99 49.8 0.25 Allowed 'General case' 0 N--CA 1.485 1.287 0 C-N-CA 125.739 1.615 . . . . 10.0 113.995 178.414 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 97' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -64.66 142.15 58.53 Favored 'General case' 0 N--CA 1.472 0.655 0 C-N-CA 127.127 2.171 . . . . 10.0 113.619 179.092 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 98' ' ' CYS . . . . . . . . . . . . . 33.1 m -79.48 137.82 37.35 Favored 'General case' 0 CA--C 1.539 0.539 0 C-N-CA 123.329 0.651 . . . . 10.0 112.29 177.816 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 99' ' ' ASP . . . . . . . . . . . . . 31.8 t70 -61.81 -39.48 91.91 Favored 'General case' 0 CA--C 1.544 0.712 0 C-N-CA 124.705 1.202 . . . . 10.0 112.877 176.645 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 100' ' ' PHE . . . . . . . . . . . . . 6.1 p90 -68.66 -13.67 62.52 Favored 'General case' 0 CA--C 1.544 0.714 0 N-CA-C 115.738 1.755 . . . . 10.0 115.738 -175.536 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 101' ' ' TRP . . . . . . . . . . . . . 42.7 m0 -57.09 116.35 3.18 Favored 'General case' 0 N--CA 1.474 0.764 0 CA-C-N 119.942 1.246 . . . . 10.0 112.692 -178.117 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 102' ' ' LEU . . . . . . . . . . . . . 5.3 mp -76.51 153.65 35.31 Favored 'General case' 0 CA--C 1.541 0.61 0 C-N-CA 125.587 1.555 . . . . 10.0 112.266 -176.247 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 38.9 tt0 -63.81 -40.62 97.05 Favored 'General case' 0 CA--C 1.545 0.782 0 C-N-CA 124.365 1.066 . . . . 10.0 111.31 169.582 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 104' ' ' ARG . . . . . . . . . . . . . 1.9 tmm_? -135.29 120.89 19.39 Favored 'General case' 0 N--CA 1.472 0.654 0 C-N-CA 127.281 2.232 . . . . 10.0 110.126 178.78 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 105' ' ' GLY . . . . . . . . . . . . . . . -89.9 165.82 32.16 Favored Glycine 0 CA--C 1.536 1.401 0 C-N-CA 124.771 1.177 . . . . 10.0 112.962 173.654 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 106' ' ' ALA . . . . . . . . . . . . . . . -144.44 146.53 32.52 Favored 'General case' 0 CA--C 1.545 0.763 0 C-N-CA 125.267 1.427 . . . . 10.0 112.01 -179.783 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 107' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.253 1.241 0 C-N-CA 125.579 1.552 . . . . 10.0 112.956 176.997 . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 1' ' ' ARG . . . . . . . . . . . . . 31.9 tpt85 . . . . . 0 N--CA 1.488 1.448 0 N-CA-C 110.169 -0.308 . . . . 10.0 110.169 . . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 2' ' ' VAL . . . . . . . . . . . . . 14.4 p -60.14 135.57 24.67 Favored 'Isoleucine or valine' 0 N--CA 1.479 0.999 0 C-N-CA 124.376 1.07 . . . . 10.0 111.776 174.597 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -80.02 93.93 5.83 Favored 'General case' 0 CA--C 1.541 0.622 0 C-N-CA 124.491 1.117 . . . . 10.0 110.765 173.574 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 12.5 pt-20 -75.77 -39.4 57.13 Favored 'General case' 0 N--CA 1.473 0.683 0 C-N-CA 124.116 0.966 . . . . 10.0 111.893 172.804 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 5' ' ' ASN . . . . . . . . . . . . . 14.8 t-20 -79.97 62.83 4.31 Favored 'General case' 0 CA--C 1.546 0.798 0 C-N-CA 126.087 1.755 . . . . 10.0 110.566 173.373 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 14.1 ptp180 -94.42 156.06 39.05 Favored Pre-proline 0 N--CA 1.476 0.836 0 C-N-CA 126.299 1.84 . . . . 10.0 111.577 173.258 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 7' ' ' PRO . . . . . . . . . . . . . 84.1 Cg_exo -48.18 118.72 3.38 Favored 'Trans proline' 0 CA--C 1.54 0.787 0 C-N-CA 123.603 2.868 . . . . 10.0 112.791 175.427 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . 116.78 -21.97 10.99 Favored Glycine 0 CA--C 1.536 1.395 0 C-N-CA 127.091 2.281 . . . . 10.0 114.247 -171.38 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -59.16 134.1 56.69 Favored 'General case' 0 CA--C 1.545 0.77 0 CA-C-N 119.698 1.749 . . . . 10.0 113.137 -170.786 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 10' ' ' PHE . . . . . . . . . . . . . 19.9 m-30 -60.17 149.09 33.93 Favored 'General case' 0 CA--C 1.541 0.607 0 O-C-N 121.409 -0.807 . . . . 10.0 112.89 174.835 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 66.5 mt -117.81 96.23 4.31 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.464 0 C-N-CA 125.973 1.709 . . . . 10.0 106.568 169.506 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 58.8 mtmt -94.58 79.86 3.82 Favored 'General case' 0 N--CA 1.474 0.744 0 C-N-CA 125.356 1.462 . . . . 10.0 110.896 -173.239 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 26.1 mt-30 -72.95 -29.92 63.46 Favored 'General case' 0 N--CA 1.472 0.653 0 C-N-CA 124.038 0.935 . . . . 10.0 111.247 169.861 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . 75.68 22.2 75.42 Favored Glycine 0 CA--C 1.535 1.301 0 C-N-CA 124.913 1.244 . . . . 10.0 113.694 -179.86 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 24.9 ttp180 -71.08 136.06 48.05 Favored 'General case' 0 N--CA 1.471 0.614 0 C-N-CA 126.571 1.949 . . . . 10.0 110.819 175.699 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 77.1 tttt -77.36 98.83 5.36 Favored 'General case' 0 N--CA 1.473 0.721 0 C-N-CA 124.896 1.279 . . . . 10.0 110.675 175.6 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 85.9 mt -74.24 176.91 6.21 Favored 'General case' 0 CA--C 1.546 0.8 0 C-N-CA 125.938 1.695 . . . . 10.0 112.529 179.047 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 18.9 t0 -127.17 95.01 4.16 Favored 'General case' 0 CA--C 1.541 0.63 0 C-N-CA 125.922 1.689 . . . . 10.0 110.507 175.729 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . 71.5 mt -135.13 130.2 51.3 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.742 0 C-N-CA 127.341 2.257 . . . . 10.0 108.061 -176.993 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 23.4 t0 -87.21 84.3 7.27 Favored 'General case' 0 CA--C 1.539 0.537 0 CA-C-O 121.962 0.887 . . . . 10.0 110.678 171.775 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 21' ' ' PHE . . . . . . . . . . . . . 87.1 m-85 -62.14 -42.45 99.26 Favored 'General case' 0 CA--C 1.54 0.596 0 C-N-CA 126.573 1.949 . . . . 10.0 111.74 171.696 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 127.87 163.2 11.31 Favored Glycine 0 CA--C 1.533 1.206 0 C-N-CA 127.635 2.54 . . . . 10.0 110.384 -169.604 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -43.29 -54.52 4.56 Favored 'General case' 0 CA--C 1.547 0.861 0 N-CA-C 115.434 1.642 . . . . 10.0 115.434 -169.853 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 52.1 mt-10 -61.16 -52.65 63.97 Favored 'General case' 0 N--CA 1.473 0.7 0 C-N-CA 124.786 1.234 . . . . 10.0 111.787 177.91 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -67.5 -37.69 90.1 Favored Glycine 0 CA--C 1.53 0.994 0 C-N-CA 124.836 1.207 . . . . 10.0 114.183 -175.984 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 88.0 m-20 -57.22 -52.74 64.1 Favored 'General case' 0 CA--C 1.535 0.372 0 C-N-CA 125.712 1.605 . . . . 10.0 110.072 173.844 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 94.9 mtt-85 -59.27 -46.79 87.57 Favored 'General case' 0 N--CA 1.474 0.76 0 C-N-CA 124.662 1.185 . . . . 10.0 111.888 176.423 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 28' ' ' TYR . . . . . . . . . . . . . 73.9 t80 -59.35 -55.62 32.44 Favored 'General case' 0 CA--C 1.535 0.391 0 C-N-CA 124.295 1.038 . . . . 10.0 112.182 177.985 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 29' ' ' TYR . . . . . . . . . . . . . 78.3 t80 -56.79 -50.85 71.09 Favored 'General case' 0 CA--C 1.535 0.394 0 C-N-CA 124.641 1.176 . . . . 10.0 112.285 178.198 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -50.51 -31.26 14.94 Favored 'General case' 0 CA--C 1.547 0.846 0 N-CA-C 114.072 1.138 . . . . 10.0 114.072 177.1 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -92.91 -23.55 18.73 Favored 'General case' 0 CA--C 1.553 1.059 0 C-N-CA 126.007 1.723 . . . . 10.0 115.04 176.815 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 32' ' ' ASN . . . . . . . . . . . . . 59.8 m-80 -126.65 7.89 6.91 Favored 'General case' 0 N--CA 1.477 0.909 0 N-CA-C 116.155 1.909 . . . . 10.0 116.155 -169.288 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 33' ' ' TYR . . . . . . . . . . . . . 55.2 p90 -46.18 -34.6 4.43 Favored 'General case' 0 N--CA 1.477 0.885 0 C-N-CA 127.236 2.214 . . . . 10.0 115.276 -177.32 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 34' ' ' TRP . . . . . . . . . . . . . 64.7 p-90 -50.65 -35.09 28.95 Favored 'General case' 0 CA--C 1.545 0.781 0 C-N-CA 126.349 1.86 . . . . 10.0 114.427 176.297 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 32.0 mt-30 -69.33 -40.13 77.77 Favored 'General case' 0 N--CA 1.474 0.76 0 C-N-CA 124.604 1.162 . . . . 10.0 113.665 178.222 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 36' ' ' PHE . . . . . . . . . . . . . 82.4 m-85 -69.21 155.4 93.62 Favored Pre-proline 0 CA--C 1.546 0.805 0 C-N-CA 126.592 1.957 . . . . 10.0 115.399 -169.053 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 70.8 Cg_endo -73.41 142.94 34.04 Favored 'Trans proline' 0 CA--C 1.539 0.772 0 C-N-CA 123.492 2.795 . . . . 10.0 110.855 169.574 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 6.3 t70 -94.6 -36.76 11.66 Favored 'General case' 0 CA--C 1.54 0.591 0 C-N-CA 125.394 1.478 . . . . 10.0 111.386 172.876 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . -134.8 176.76 19.76 Favored Glycine 0 CA--C 1.532 1.149 0 C-N-CA 125.78 1.657 . . . . 10.0 112.11 171.579 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 40' ' ' ILE . . . . . . . . . . . . . 97.1 mt -135.05 124.49 42.96 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.549 0 C-N-CA 125.248 1.419 . . . . 10.0 108.463 176.245 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 41' ' ' TYR . . . . . . . . . . . . . 64.9 t80 -72.25 88.41 1.15 Allowed 'General case' 0 CA--C 1.536 0.424 0 C-N-CA 125.079 1.352 . . . . 10.0 109.767 171.792 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 42' ' ' TYR . . . . . . . . . . . . . 88.5 t80 -149.12 131.04 15.21 Favored 'General case' 0 C--O 1.235 0.304 0 C-N-CA 125.017 1.327 . . . . 10.0 109.969 175.686 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 47.4 mt-10 -128.75 70.42 1.39 Allowed 'General case' 0 CA--C 1.539 0.533 0 C-N-CA 125.806 1.642 . . . . 10.0 109.776 -173.28 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . -63.16 -31.48 80.87 Favored Glycine 0 CA--C 1.536 1.378 0 C-N-CA 125.089 1.328 . . . . 10.0 114.499 -177.673 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 45' ' ' CYS . . . . . . . . . . . . . 83.1 m -55.54 109.23 0.52 Allowed 'General case' 0 CA--C 1.543 0.703 0 C-N-CA 126.133 1.773 . . . . 10.0 112.491 -178.967 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 51.0 m -125.81 -56.25 1.48 Allowed 'General case' 0 N--CA 1.474 0.747 0 C-N-CA 125.708 1.603 . . . . 10.0 111.96 -176.456 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 12.2 pt-20 -149.38 158.14 43.91 Favored 'General case' 0 N--CA 1.471 0.602 0 C-N-CA 125.923 1.689 . . . . 10.0 111.593 179.694 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -52.81 -27.87 20.05 Favored 'General case' 0 CA--C 1.545 0.785 0 N-CA-C 115.28 1.585 . . . . 10.0 115.28 -176.376 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 82.6 m-20 -65.15 -27.55 68.8 Favored 'General case' 0 CA--C 1.546 0.824 0 C-N-CA 124.761 1.225 . . . . 10.0 113.889 175.421 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . 60.7 t -65.82 115.48 3.98 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.913 0 C-N-CA 124.674 1.19 . . . . 10.0 109.262 172.168 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 53.8 p -88.12 173.05 9.06 Favored 'General case' 0 N--CA 1.477 0.886 0 C-N-CA 123.718 0.807 . . . . 10.0 112.02 178.929 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 82.2 tttt -62.41 -52.1 64.9 Favored 'General case' 0 N--CA 1.471 0.616 0 O-C-N 121.322 -0.861 . . . . 10.0 111.931 171.05 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 12.5 pt-20 -54.32 -40.01 67.56 Favored 'General case' 0 N--CA 1.473 0.701 0 N-CA-C 112.846 0.684 . . . . 10.0 112.846 176.178 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 54' ' ' MET . . . . . . . . . . . . . 92.8 mtp -58.19 -58.42 8.55 Favored 'General case' 0 N--CA 1.47 0.564 0 C-N-CA 123.575 0.75 . . . . 10.0 111.472 169.529 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 8.9 tt -59.39 -53.03 62.84 Favored 'General case' 0 CA--C 1.536 0.408 0 C-N-CA 124.461 1.105 . . . . 10.0 113.035 -174.382 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 88.0 t -57.0 -47.09 84.07 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.868 0 C-N-CA 125.375 1.47 . . . . 10.0 111.106 -178.58 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 57' ' ' THR . . . . . . . . . . . . . 45.0 m -62.81 -47.45 83.41 Favored 'General case' 0 N--CA 1.477 0.92 0 C-N-CA 124.287 1.035 . . . . 10.0 111.683 174.9 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 48.9 m -59.39 -37.55 78.26 Favored 'General case' 0 N--CA 1.471 0.611 0 C-N-CA 124.228 1.011 . . . . 10.0 112.578 176.784 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 59' ' ' CYS . . . . . . . . . . . . . 36.2 t -57.71 -50.2 74.0 Favored 'General case' 0 CA--C 1.536 0.407 0 C-N-CA 125.494 1.518 . . . . 10.0 112.663 172.689 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 60' ' ' VAL . . . . . . . . . . . . . 54.6 t -54.94 -49.82 67.56 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.071 0 CA-C-N 119.444 1.02 . . . . 10.0 111.355 172.663 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 61' ' ' ASN . . . . . . . . . . . . . 21.1 m-80 -58.1 -45.54 87.07 Favored 'General case' 0 CA--C 1.546 0.796 0 C-N-CA 124.514 1.126 . . . . 10.0 112.995 176.616 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -61.1 -48.43 81.71 Favored 'General case' 0 CA--C 1.538 0.502 0 C-N-CA 124.442 1.097 . . . . 10.0 111.241 174.881 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 63' ' ' THR . . . . . . . . . . . . . 29.7 m -54.23 -49.46 69.41 Favored 'General case' 0 N--CA 1.471 0.621 0 C-N-CA 125.416 1.486 . . . . 10.0 111.634 177.37 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 64' ' ' GLN . . . . . . . . . . . . . 81.2 mt-30 -50.69 -58.38 6.01 Favored 'General case' 0 CA--C 1.539 0.545 0 C-N-CA 125.056 1.342 . . . . 10.0 111.946 172.154 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -57.47 -39.76 77.07 Favored 'General case' 0 CA--C 1.546 0.805 0 C-N-CA 125.635 1.574 . . . . 10.0 114.126 179.973 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -74.28 -41.6 60.96 Favored 'General case' 0 CA--C 1.543 0.684 0 C-N-CA 125.039 1.336 . . . . 10.0 114.169 -179.333 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 67' ' ' ASN . . . . . . . . . . . . . 11.2 m-80 -114.19 38.31 3.07 Favored 'General case' 0 N--CA 1.474 0.765 0 C-N-CA 124.4 1.08 . . . . 10.0 112.272 -169.817 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 68' ' ' GLN . . . . . . . . . . . . . 91.2 mt-30 -50.99 -52.39 43.16 Favored 'General case' 0 N--CA 1.472 0.656 0 C-N-CA 125.561 1.544 . . . . 10.0 112.521 -177.747 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -54.65 -46.32 73.97 Favored 'General case' 0 CA--C 1.543 0.697 0 C-N-CA 124.964 1.306 . . . . 10.0 113.271 179.417 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 6.0 mm-40 -55.53 -52.56 63.28 Favored 'General case' 0 N--CA 1.473 0.693 0 C-N-CA 124.825 1.25 . . . . 10.0 111.3 177.41 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 71' ' ' PHE . . . . . . . . . . . . . 33.7 m-85 -61.05 -55.79 28.59 Favored 'General case' 0 CA--C 1.535 0.368 0 C-N-CA 123.924 0.89 . . . . 10.0 112.287 176.079 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 60.7 m -53.72 -49.04 68.97 Favored 'General case' 0 N--CA 1.473 0.707 0 C-N-CA 125.038 1.335 . . . . 10.0 113.599 -178.168 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 73' ' ' ARG . . . . . . . . . . . . . 22.9 mtm105 -55.77 -51.66 66.63 Favored 'General case' 0 N--CA 1.476 0.873 0 C-N-CA 124.197 0.999 . . . . 10.0 112.546 176.787 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 43.9 mm-40 -67.62 -63.64 1.02 Allowed 'General case' 0 CA--C 1.541 0.602 0 C-N-CA 124.287 1.035 . . . . 10.0 113.177 179.161 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 64.8 tttm -44.69 -37.28 3.6 Favored 'General case' 0 N--CA 1.48 1.038 0 C-N-CA 128.384 2.674 . . . . 10.0 115.76 -169.819 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 76' ' ' GLN . . . . . . . . . . . . . 18.8 mm100 -54.57 -27.55 39.69 Favored 'General case' 0 CA--C 1.547 0.845 0 C-N-CA 125.135 1.374 . . . . 10.0 114.395 176.608 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 31.4 t70 -136.72 -39.91 0.63 Allowed 'General case' 0 CA--C 1.547 0.849 0 C-N-CA 125.43 1.492 . . . . 10.0 113.849 -177.445 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 1.6 t -76.37 75.48 3.14 Favored 'General case' 0 CA--C 1.544 0.718 0 C-N-CA 127.732 2.413 . . . . 10.0 113.057 -170.994 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 41.1 ttmt -56.59 -65.79 0.55 Allowed 'General case' 0 N--CA 1.477 0.908 0 C-N-CA 126.41 1.884 . . . . 10.0 113.457 -173.053 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 43.5 tp -62.37 -40.41 96.36 Favored 'General case' 0 N--CA 1.47 0.554 0 C-N-CA 123.989 0.916 . . . . 10.0 112.493 -176.823 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 81' ' ' HIS . . . . . . . . . . . . . 14.2 t-160 -51.0 -49.28 60.74 Favored 'General case' 0 N--CA 1.471 0.6 0 C-N-CA 123.558 0.743 . . . . 10.0 112.395 -177.947 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 82' ' ' GLN . . . . . . . . . . . . . 92.8 mm-40 -50.43 -53.92 25.86 Favored 'General case' 0 N--CA 1.472 0.646 0 C-N-CA 124.169 0.988 . . . . 10.0 112.713 177.597 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 83' ' ' ARG . . . . . . . . . . . . . 74.7 mtp180 -49.48 -55.3 13.74 Favored 'General case' 0 N--CA 1.482 1.127 0 C-N-CA 125.021 1.329 . . . . 10.0 111.947 178.395 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 84' ' ' VAL . . . . . . . . . . . . . 17.0 t -62.04 -51.77 68.49 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.8 0 C-N-CA 126.022 1.729 . . . . 10.0 111.167 179.381 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 85' ' ' LEU . . . . . . . . . . . . . 49.0 tp -56.27 -50.56 71.02 Favored 'General case' 0 N--CA 1.467 0.423 0 C-N-CA 126.079 1.752 . . . . 10.0 112.649 179.86 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 86' ' ' TRP . . . . . . . . . . . . . 72.5 m95 -60.82 -42.2 97.2 Favored 'General case' 0 N--CA 1.469 0.487 0 N-CA-C 113.489 0.922 . . . . 10.0 113.489 176.078 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 87' ' ' ARG . . . . . . . . . . . . . 14.2 tpt180 -56.42 -49.15 75.37 Favored 'General case' 0 N--CA 1.473 0.723 0 CA-C-N 118.712 0.687 . . . . 10.0 111.569 169.953 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 88' ' ' LEU . . . . . . . . . . . . . 1.4 tt -57.45 -50.93 71.43 Favored 'General case' 0 CA--C 1.546 0.801 0 C-N-CA 124.165 0.986 . . . . 10.0 111.99 176.405 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 89' ' ' ILE . . . . . . . . . . . . . 83.6 mt -50.4 -49.05 24.95 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.796 0 C-N-CA 124.539 1.136 . . . . 10.0 110.843 172.45 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 56.2 tttp -59.21 -46.96 87.05 Favored 'General case' 0 N--CA 1.472 0.642 0 C-N-CA 124.332 1.053 . . . . 10.0 113.118 175.345 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 79.7 mm-40 -53.47 -45.95 69.75 Favored 'General case' 0 N--CA 1.476 0.868 0 CA-C-N 119.865 1.211 . . . . 10.0 112.278 172.313 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 92' ' ' ILE . . . . . . . . . . . . . 96.3 mt -61.29 -57.3 12.75 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.838 0 C-N-CA 123.954 0.901 . . . . 10.0 111.137 173.375 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 93' ' ' CYS . . . . . . . . . . . . . 75.7 m -57.25 -48.92 77.63 Favored 'General case' 0 CA--C 1.542 0.651 0 C-N-CA 124.127 0.971 . . . . 10.0 112.647 -177.257 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 80.4 p -60.53 -26.69 67.07 Favored 'General case' 0 N--CA 1.477 0.914 0 N-CA-C 114.719 1.377 . . . . 10.0 114.719 178.175 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . -69.46 -28.34 66.01 Favored 'General case' 0 CA--C 1.548 0.874 0 N-CA-C 113.776 1.028 . . . . 10.0 113.776 172.918 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 96' ' ' LYS . . . . . . . . . . . . . 36.7 mttm -62.84 119.06 8.64 Favored 'General case' 0 N--CA 1.477 0.88 0 C-N-CA 124.964 1.306 . . . . 10.0 112.245 -175.509 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 97' ' ' HIS . . . . . 0.41 ' HA ' ' CZ3' ' A' ' 101' ' ' TRP . 0.2 OUTLIER -130.73 140.74 50.35 Favored 'General case' 0 CA--C 1.537 0.452 0 C-N-CA 126.128 1.771 . . . . 10.0 114.032 -176.718 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 98' ' ' CYS . . . . . . . . . . . . . 40.8 m -97.5 134.66 40.43 Favored 'General case' 0 CA--C 1.537 0.455 0 C-N-CA 123.974 0.909 . . . . 10.0 112.115 179.559 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 99' ' ' ASP . . . . . . . . . . . . . 32.1 t70 -58.2 -38.87 77.58 Favored 'General case' 0 CA--C 1.543 0.679 0 C-N-CA 124.821 1.248 . . . . 10.0 112.946 177.209 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 100' ' ' PHE . . . . . . . . . . . . . 4.2 p90 -69.11 -14.22 62.88 Favored 'General case' 0 CA--C 1.545 0.767 0 N-CA-C 115.562 1.689 . . . . 10.0 115.562 -178.102 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 101' ' ' TRP . . . . . 0.41 ' CZ3' ' HA ' ' A' ' 97' ' ' HIS . 29.1 m0 -60.19 138.43 57.92 Favored 'General case' 0 N--CA 1.473 0.717 0 CA-C-N 120.007 1.276 . . . . 10.0 113.834 -175.23 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 102' ' ' LEU . . . . . . . . . . . . . 2.5 pt? -145.57 -172.06 3.81 Favored 'General case' 0 CA--C 1.547 0.856 0 C-N-CA 127.721 2.408 . . . . 10.0 111.078 179.827 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 45.3 mt-10 -65.33 -20.0 66.21 Favored 'General case' 0 N--CA 1.477 0.913 0 N-CA-C 114.745 1.387 . . . . 10.0 114.745 -176.978 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 104' ' ' ARG . . . . . . . . . . . . . 90.0 mmt-85 -136.97 -175.7 4.12 Favored 'General case' 0 N--CA 1.478 0.946 0 C-N-CA 127.279 2.232 . . . . 10.0 111.559 -177.241 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 105' ' ' GLY . . . . . . . . . . . . . . . -78.34 -157.27 9.98 Favored Glycine 0 CA--C 1.538 1.486 0 C-N-CA 124.92 1.247 . . . . 10.0 113.067 172.428 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 106' ' ' ALA . . . . . . . . . . . . . . . -63.87 140.43 58.87 Favored 'General case' 0 CA--C 1.547 0.858 0 C-N-CA 123.825 0.85 . . . . 10.0 112.542 178.042 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 107' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.255 1.353 0 C-N-CA 126.514 1.925 . . . . 10.0 112.041 -179.99 . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 1' ' ' ARG . . . . . . . . . . . . . 99.7 mtt180 . . . . . 0 N--CA 1.49 1.563 0 N-CA-C 110.571 -0.159 . . . . 10.0 110.571 . . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 2' ' ' VAL . . . . . . . . . . . . . 62.0 t -52.88 -48.73 50.47 Favored 'Isoleucine or valine' 0 N--CA 1.484 1.246 0 C-N-CA 125.825 1.65 . . . . 10.0 112.803 -173.653 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -51.81 -36.98 49.8 Favored 'General case' 0 CA--C 1.544 0.745 0 C-N-CA 125.261 1.424 . . . . 10.0 114.309 -178.218 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 44.4 mt-10 -61.41 -28.4 69.23 Favored 'General case' 0 N--CA 1.474 0.767 0 C-N-CA 125.439 1.496 . . . . 10.0 113.633 -179.915 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 5' ' ' ASN . . . . . . . . . . . . . 12.5 t-20 -137.14 59.64 1.68 Allowed 'General case' 0 CA--C 1.546 0.799 0 C-N-CA 126.597 1.959 . . . . 10.0 109.905 176.861 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 28.9 ptt-85 -72.58 148.26 90.14 Favored Pre-proline 0 N--CA 1.473 0.699 0 C-N-CA 126.559 1.944 . . . . 10.0 112.52 179.143 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 7' ' ' PRO . . . . . . . . . . . . . 50.2 Cg_exo -51.44 117.52 3.54 Favored 'Trans proline' 0 CA--C 1.54 0.819 0 C-N-CA 123.551 2.834 . . . . 10.0 112.285 173.885 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . 109.8 -13.83 32.11 Favored Glycine 0 CA--C 1.537 1.427 0 C-N-CA 126.305 1.907 . . . . 10.0 114.357 -172.659 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -60.13 132.04 52.71 Favored 'General case' 0 CA--C 1.546 0.796 0 CA-C-N 119.681 1.741 . . . . 10.0 112.899 -174.428 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 10' ' ' PHE . . . . . . . . . . . . . 21.6 m-85 -61.31 148.77 40.15 Favored 'General case' 0 CA--C 1.54 0.581 0 C-N-CA 123.441 0.696 . . . . 10.0 112.308 172.052 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 66.6 mt -119.78 96.52 4.38 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.421 0 C-N-CA 125.876 1.671 . . . . 10.0 106.537 169.636 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 84.3 mttt -91.28 90.34 7.7 Favored 'General case' 0 N--CA 1.474 0.766 0 C-N-CA 125.244 1.418 . . . . 10.0 110.34 -176.881 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 26.4 mt-30 -80.33 -23.26 40.72 Favored 'General case' 0 CA--C 1.542 0.635 0 C-N-CA 123.953 0.901 . . . . 10.0 112.139 173.989 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . 75.5 58.49 3.85 Favored Glycine 0 CA--C 1.531 1.087 0 C-N-CA 124.826 1.203 . . . . 10.0 112.133 178.147 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 32.6 ttp180 -132.42 131.7 42.04 Favored 'General case' 0 N--CA 1.47 0.555 0 C-N-CA 126.735 2.014 . . . . 10.0 110.797 -171.184 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 34.6 ttmt -77.48 101.59 6.51 Favored 'General case' 0 N--CA 1.473 0.721 0 C-N-CA 124.478 1.111 . . . . 10.0 110.542 177.732 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 73.5 mt -72.29 177.45 4.51 Favored 'General case' 0 CA--C 1.547 0.831 0 C-N-CA 126.006 1.722 . . . . 10.0 112.44 175.242 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 19.7 t0 -123.7 93.72 4.02 Favored 'General case' 0 CA--C 1.543 0.682 0 C-N-CA 125.686 1.594 . . . . 10.0 110.773 176.483 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . 67.4 mt -136.14 135.39 50.08 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.737 0 C-N-CA 127.623 2.369 . . . . 10.0 108.608 -178.678 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 26.1 t70 -87.16 103.89 15.84 Favored 'General case' 0 CA--C 1.538 0.49 0 CA-C-O 121.867 0.841 . . . . 10.0 109.739 169.548 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 21' ' ' PHE . . . . . . . . . . . . . 71.8 m-85 -83.79 -37.11 23.0 Favored 'General case' 0 CA--C 1.54 0.595 0 C-N-CA 127.243 2.217 . . . . 10.0 111.495 171.137 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 127.54 158.02 9.62 Favored Glycine 0 CA--C 1.534 1.237 0 C-N-CA 127.777 2.608 . . . . 10.0 110.209 -169.645 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -42.24 -56.69 2.82 Favored 'General case' 0 CA--C 1.548 0.877 0 N-CA-C 115.49 1.663 . . . . 10.0 115.49 -169.713 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 31.2 mm-40 -63.22 -48.25 79.09 Favored 'General case' 0 N--CA 1.474 0.725 0 C-N-CA 124.208 1.003 . . . . 10.0 112.038 178.466 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -63.51 -39.41 97.63 Favored Glycine 0 CA--C 1.533 1.182 0 C-N-CA 124.972 1.272 . . . . 10.0 114.161 179.772 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 89.9 m-20 -57.68 -51.99 67.28 Favored 'General case' 0 CA--C 1.536 0.408 0 C-N-CA 126.161 1.784 . . . . 10.0 110.145 174.702 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 97.5 mtt180 -59.13 -46.28 88.75 Favored 'General case' 0 N--CA 1.474 0.772 0 C-N-CA 124.588 1.155 . . . . 10.0 111.913 174.896 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 28' ' ' TYR . . . . . . . . . . . . . 83.5 t80 -59.54 -53.4 58.48 Favored 'General case' 0 CA--C 1.536 0.406 0 C-N-CA 124.269 1.027 . . . . 10.0 111.949 179.232 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 29' ' ' TYR . . . . . . . . . . . . . 83.5 t80 -56.65 -52.39 65.06 Favored 'General case' 0 CA--C 1.536 0.416 0 C-N-CA 124.6 1.16 . . . . 10.0 112.404 175.645 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -51.06 -35.87 36.92 Favored 'General case' 0 CA--C 1.546 0.796 0 N-CA-C 113.603 0.964 . . . . 10.0 113.603 178.751 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -85.73 -28.42 24.63 Favored 'General case' 0 CA--C 1.55 0.981 0 N-CA-C 115.099 1.518 . . . . 10.0 115.099 176.098 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 32' ' ' ASN . . . . . . . . . . . . . 55.3 m-80 -124.25 11.76 8.79 Favored 'General case' 0 CA--C 1.548 0.881 0 N-CA-C 116.654 2.094 . . . . 10.0 116.654 -169.091 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 33' ' ' TYR . . . . . . . . . . . . . 52.1 p90 -50.15 -28.02 6.72 Favored 'General case' 0 N--CA 1.478 0.971 0 C-N-CA 126.007 1.723 . . . . 10.0 115.207 -177.751 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 34' ' ' TRP . . . . . . . . . . . . . 65.6 p-90 -51.32 -34.67 34.55 Favored 'General case' 0 CA--C 1.546 0.805 0 C-N-CA 125.83 1.652 . . . . 10.0 114.187 173.634 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 32.1 mt-30 -67.4 -41.71 84.48 Favored 'General case' 0 N--CA 1.474 0.734 0 C-N-CA 124.716 1.206 . . . . 10.0 113.197 176.45 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 36' ' ' PHE . . . . . . . . . . . . . 68.6 m-85 -74.24 159.06 84.66 Favored Pre-proline 0 CA--C 1.546 0.799 0 C-N-CA 127.542 2.337 . . . . 10.0 113.629 -169.69 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 62.2 Cg_endo -71.89 163.89 37.41 Favored 'Trans proline' 0 CA--C 1.541 0.859 0 C-N-CA 123.062 2.508 . . . . 10.0 110.841 169.246 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 7.3 t70 -113.47 -37.69 4.57 Favored 'General case' 0 N--CA 1.473 0.698 0 C-N-CA 125.094 1.358 . . . . 10.0 110.396 169.911 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . -129.14 173.11 19.56 Favored Glycine 0 CA--C 1.535 1.286 0 C-N-CA 126.228 1.871 . . . . 10.0 111.384 169.445 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 40' ' ' ILE . . . . . . . . . . . . . 97.0 mt -136.56 125.63 37.24 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.692 0 C-N-CA 125.193 1.397 . . . . 10.0 108.463 175.382 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 41' ' ' TYR . . . . . . . . . . . . . 90.3 t80 -73.51 116.91 14.63 Favored 'General case' 0 CA--C 1.536 0.41 0 C-N-CA 123.388 0.675 . . . . 10.0 109.486 169.782 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 42' ' ' TYR . . . . . . . . . . . . . 48.8 t80 -154.54 109.21 3.03 Favored 'General case' 0 CA--C 1.533 0.305 0 CA-C-O 122.169 0.985 . . . . 10.0 110.732 173.27 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 4.8 pt-20 -81.12 59.98 4.09 Favored 'General case' 0 CA--C 1.548 0.884 0 C-N-CA 126.981 2.112 . . . . 10.0 111.874 178.271 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . -71.35 -42.98 55.71 Favored Glycine 0 CA--C 1.534 1.269 0 C-N-CA 125.298 1.428 . . . . 10.0 113.931 -179.787 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 45' ' ' CYS . . . . . . . . . . . . . 78.0 m -62.47 128.21 34.94 Favored 'General case' 0 CA--C 1.544 0.728 0 C-N-CA 125.442 1.497 . . . . 10.0 112.94 -179.287 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 63.9 p -139.31 -58.4 0.59 Allowed 'General case' 0 N--CA 1.473 0.695 0 C-N-CA 125.88 1.672 . . . . 10.0 112.01 173.689 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 12.0 pt-20 -146.56 160.72 41.78 Favored 'General case' 0 CA--C 1.542 0.666 0 C-N-CA 126.33 1.852 . . . . 10.0 112.604 178.976 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -54.58 -23.5 17.13 Favored 'General case' 0 CA--C 1.545 0.786 0 N-CA-C 115.932 1.827 . . . . 10.0 115.932 -174.694 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 72.5 m-20 -61.42 -29.04 69.69 Favored 'General case' 0 CA--C 1.548 0.869 0 C-N-CA 124.164 0.985 . . . . 10.0 113.42 172.204 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . 94.3 t -67.03 113.1 2.77 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.911 0 C-N-CA 124.667 1.187 . . . . 10.0 109.61 169.976 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 41.4 p -84.92 169.66 13.85 Favored 'General case' 0 N--CA 1.475 0.793 0 C-N-CA 123.504 0.721 . . . . 10.0 111.618 176.801 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 78.1 tttt -62.04 -43.52 98.66 Favored 'General case' 0 N--CA 1.472 0.642 0 O-C-N 121.221 -0.924 . . . . 10.0 111.981 170.046 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 27.6 mm-40 -54.25 -48.43 71.16 Favored 'General case' 0 N--CA 1.472 0.669 0 C-N-CA 123.903 0.881 . . . . 10.0 111.838 174.426 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 54' ' ' MET . . . . . . . . . . . . . 93.4 mtp -54.69 -57.14 12.65 Favored 'General case' 0 N--CA 1.47 0.534 0 C-N-CA 124.361 1.065 . . . . 10.0 111.799 171.251 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 3.4 tt -55.73 -59.82 4.32 Favored 'General case' 0 CA--C 1.54 0.56 0 C-N-CA 124.995 1.318 . . . . 10.0 112.129 -177.549 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 60.2 t -57.43 -46.5 85.69 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.811 0 C-N-CA 124.69 1.196 . . . . 10.0 111.666 -176.263 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 57' ' ' THR . . . . . . . . . . . . . 37.1 m -63.5 -51.57 64.96 Favored 'General case' 0 N--CA 1.477 0.881 0 C-N-CA 123.816 0.847 . . . . 10.0 111.901 177.109 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 93.2 p -62.01 -33.25 74.0 Favored 'General case' 0 N--CA 1.471 0.615 0 O-C-N 121.388 -0.82 . . . . 10.0 113.028 177.659 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 59' ' ' CYS . . . . . . . . . . . . . 44.4 t -58.22 -51.05 71.37 Favored 'General case' 0 CA--C 1.539 0.522 0 C-N-CA 125.982 1.713 . . . . 10.0 112.557 169.971 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 60' ' ' VAL . . . . . . . . . . . . . 48.2 t -56.3 -43.69 77.61 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.055 0 C-N-CA 124.086 0.954 . . . . 10.0 111.893 173.446 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 61' ' ' ASN . . . . . . . . . . . . . 21.8 m-80 -64.24 -45.26 88.93 Favored 'General case' 0 CA--C 1.544 0.728 0 C-N-CA 124.245 1.018 . . . . 10.0 113.046 174.827 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -60.58 -45.99 91.91 Favored 'General case' 0 CA--C 1.536 0.408 0 C-N-CA 124.53 1.132 . . . . 10.0 111.267 175.8 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 63' ' ' THR . . . . . . . . . . . . . 30.1 m -55.29 -48.74 73.64 Favored 'General case' 0 N--CA 1.471 0.59 0 C-N-CA 124.909 1.283 . . . . 10.0 111.469 177.334 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 64' ' ' GLN . . . . . . . . . . . . . 45.6 mt-30 -50.65 -61.7 2.04 Favored 'General case' 0 N--CA 1.47 0.559 0 C-N-CA 124.283 1.033 . . . . 10.0 111.7 171.453 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -53.87 -44.65 70.6 Favored 'General case' 0 CA--C 1.545 0.781 0 C-N-CA 125.704 1.602 . . . . 10.0 113.741 -178.667 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -67.63 -34.5 77.08 Favored 'General case' 0 CA--C 1.541 0.608 0 C-N-CA 125.082 1.353 . . . . 10.0 114.383 179.615 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 67' ' ' ASN . . . . . . . . . . . . . 10.5 m-80 -124.91 39.61 3.94 Favored 'General case' 0 CA--C 1.545 0.784 0 C-N-CA 124.026 0.93 . . . . 10.0 112.562 -170.042 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 68' ' ' GLN . . . . . . . . . . . . . 22.0 mm-40 -54.66 -47.46 73.55 Favored 'General case' 0 N--CA 1.475 0.791 0 C-N-CA 124.627 1.171 . . . . 10.0 112.972 -176.416 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -53.83 -48.71 69.66 Favored 'General case' 0 CA--C 1.544 0.732 0 C-N-CA 125.025 1.33 . . . . 10.0 113.015 179.104 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 7.9 mm-40 -54.01 -56.14 20.7 Favored 'General case' 0 N--CA 1.473 0.706 0 C-N-CA 125.215 1.406 . . . . 10.0 111.408 177.766 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 71' ' ' PHE . . . . . . . . . . . . . 37.4 m-85 -59.91 -53.31 59.43 Favored 'General case' 0 CA--C 1.536 0.405 0 C-N-CA 124.019 0.928 . . . . 10.0 112.19 176.954 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 46.5 t -50.05 -56.74 9.6 Favored 'General case' 0 N--CA 1.47 0.551 0 C-N-CA 126.366 1.866 . . . . 10.0 112.837 -178.415 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 73' ' ' ARG . . . . . . . . . . . . . 90.2 mmt-85 -60.3 -50.01 75.32 Favored 'General case' 0 N--CA 1.475 0.801 0 C-N-CA 124.905 1.282 . . . . 10.0 112.621 -179.767 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 44.1 mm-40 -62.61 -58.57 7.06 Favored 'General case' 0 CA--C 1.539 0.549 0 C-N-CA 124.269 1.028 . . . . 10.0 112.856 -179.491 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 87.4 tttt -44.78 -34.18 2.19 Favored 'General case' 0 N--CA 1.481 1.116 0 C-N-CA 127.896 2.478 . . . . 10.0 115.674 -171.387 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 76' ' ' GLN . . . . . . . . . . . . . 66.6 mm-40 -52.87 -43.4 66.07 Favored 'General case' 0 N--CA 1.472 0.66 0 C-N-CA 124.751 1.22 . . . . 10.0 112.967 178.043 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 32.5 t70 -127.6 -38.37 1.91 Allowed 'General case' 0 N--CA 1.473 0.722 0 C-N-CA 125.902 1.681 . . . . 10.0 113.168 -172.164 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -75.73 61.09 1.35 Allowed 'General case' 0 CA--C 1.543 0.676 0 C-N-CA 127.929 2.492 . . . . 10.0 111.809 -178.314 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 2.1 tppt? -60.42 -52.56 64.69 Favored 'General case' 0 N--CA 1.472 0.674 0 C-N-CA 126.259 1.824 . . . . 10.0 113.384 -169.682 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 56.0 tp -60.51 -44.96 95.45 Favored 'General case' 0 N--CA 1.47 0.537 0 C-N-CA 124.866 1.266 . . . . 10.0 111.941 175.082 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 81' ' ' HIS . . . . . . . . . . . . . 16.6 t-160 -48.52 -49.22 36.99 Favored 'General case' 0 N--CA 1.472 0.637 0 C-N-CA 124.409 1.083 . . . . 10.0 111.993 -177.235 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 82' ' ' GLN . . . . . . . . . . . . . 98.3 mm-40 -50.62 -52.71 36.96 Favored 'General case' 0 N--CA 1.471 0.599 0 C-N-CA 123.856 0.862 . . . . 10.0 112.852 177.106 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 83' ' ' ARG . . . . . . . . . . . . . 9.2 mpt_? -55.48 -52.76 62.56 Favored 'General case' 0 N--CA 1.48 1.043 0 C-N-CA 124.383 1.073 . . . . 10.0 111.314 -178.96 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 84' ' ' VAL . . . . . . . . . . . . . 21.8 t -57.94 -54.28 34.11 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.729 0 C-N-CA 125.828 1.651 . . . . 10.0 110.94 176.99 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 85' ' ' LEU . . . . . . . . . . . . . 45.0 tp -56.68 -47.82 78.98 Favored 'General case' 0 CA--C 1.538 0.491 0 C-N-CA 126.254 1.822 . . . . 10.0 112.664 -179.736 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 86' ' ' TRP . . . . . . . . . . . . . 70.4 m95 -64.05 -42.48 97.02 Favored 'General case' 0 N--CA 1.469 0.475 0 N-CA-C 113.989 1.107 . . . . 10.0 113.989 176.316 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 87' ' ' ARG . . . . . . . . . . . . . 24.0 tpt180 -54.9 -50.37 68.93 Favored 'General case' 0 N--CA 1.477 0.921 0 C-N-CA 123.666 0.786 . . . . 10.0 111.144 170.705 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 88' ' ' LEU . . . . . . . . . . . . . 54.9 tp -56.23 -55.26 35.44 Favored 'General case' 0 CA--C 1.54 0.59 0 C-N-CA 124.318 1.047 . . . . 10.0 112.761 173.172 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 89' ' ' ILE . . . . . . . . . . . . . 68.9 mt -50.98 -48.91 28.82 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.808 0 C-N-CA 124.518 1.127 . . . . 10.0 111.015 177.422 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 58.3 tttp -60.2 -46.87 88.24 Favored 'General case' 0 N--CA 1.469 0.51 0 CA-C-O 118.191 -0.909 . . . . 10.0 112.782 176.295 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 31.6 mm-40 -56.59 -45.08 81.6 Favored 'General case' 0 CA--C 1.544 0.716 0 CA-C-N 119.795 1.179 . . . . 10.0 112.635 172.773 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 92' ' ' ILE . . . . . . . . . . . . . 96.1 mt -58.01 -55.56 21.17 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.776 0 C-N-CA 124.209 1.003 . . . . 10.0 110.93 172.736 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 93' ' ' CYS . . . . . . . . . . . . . 66.2 m -55.21 -44.78 75.7 Favored 'General case' 0 CA--C 1.544 0.712 0 C-N-CA 123.793 0.837 . . . . 10.0 111.957 177.914 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 49.7 m -58.73 -24.99 62.5 Favored 'General case' 0 N--CA 1.476 0.874 0 C-N-CA 125.541 1.536 . . . . 10.0 114.7 175.391 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . -73.06 -21.79 60.72 Favored 'General case' 0 CA--C 1.548 0.873 0 N-CA-C 114.206 1.187 . . . . 10.0 114.206 178.083 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 96' ' ' LYS . . . . . . . . . . . . . 3.6 mptp? -60.24 131.89 52.22 Favored 'General case' 0 N--CA 1.479 0.99 0 C-N-CA 125.087 1.355 . . . . 10.0 111.377 -179.198 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 97' ' ' HIS . . . . . 0.43 ' HA ' ' CZ3' ' A' ' 101' ' ' TRP . 13.2 t-80 -141.7 116.35 9.7 Favored 'General case' 0 N--CA 1.471 0.62 0 C-N-CA 125.67 1.588 . . . . 10.0 110.773 176.019 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 98' ' ' CYS . . . . . . . . . . . . . 57.4 m -70.16 149.69 47.29 Favored 'General case' 0 CA--C 1.538 0.498 0 C-N-CA 123.283 0.633 . . . . 10.0 111.86 176.761 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 99' ' ' ASP . . . . . . . . . . . . . 32.7 t70 -64.8 -42.8 94.73 Favored 'General case' 0 CA--C 1.542 0.656 0 C-N-CA 124.349 1.059 . . . . 10.0 112.427 176.988 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 100' ' ' PHE . . . . . . . . . . . . . 9.0 p90 -70.81 -16.83 62.76 Favored 'General case' 0 CA--C 1.544 0.712 0 N-CA-C 115.402 1.631 . . . . 10.0 115.402 -176.349 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 101' ' ' TRP . . . . . 0.43 ' CZ3' ' HA ' ' A' ' 97' ' ' HIS . 36.7 m0 -59.13 137.7 57.85 Favored 'General case' 0 N--CA 1.474 0.741 0 CA-C-N 119.918 1.235 . . . . 10.0 112.554 179.301 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 102' ' ' LEU . . . . . . . . . . . . . 2.7 pt? -146.17 170.7 16.18 Favored 'General case' 0 CA--C 1.542 0.636 0 C-N-CA 126.707 2.003 . . . . 10.0 112.195 -171.609 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 46.3 mt-10 -134.13 148.62 51.0 Favored 'General case' 0 N--CA 1.472 0.651 0 C-N-CA 125.81 1.644 . . . . 10.0 111.029 175.365 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 104' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -145.32 174.75 10.83 Favored 'General case' 0 N--CA 1.477 0.912 0 C-N-CA 126.032 1.733 . . . . 10.0 112.637 -177.115 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 105' ' ' GLY . . . . . . . . . . . . . . . -138.27 -159.24 8.04 Favored Glycine 0 CA--C 1.533 1.187 0 C-N-CA 126.013 1.768 . . . . 10.0 112.627 177.947 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 106' ' ' ALA . . . . . . . . . . . . . . . -147.36 158.37 43.95 Favored 'General case' 0 CA--C 1.546 0.811 0 C-N-CA 125.389 1.476 . . . . 10.0 112.005 178.705 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 107' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.253 1.262 0 C-N-CA 126.551 1.941 . . . . 10.0 111.982 179.33 . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' 1' ' ' ARG . . . . . . . . . . . . . 77.6 ttt180 . . . . . 0 N--CA 1.488 1.458 0 N-CA-C 110.009 -0.367 . . . . 10.0 110.009 . . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' 2' ' ' VAL . . . . . . . . . . . . . 58.0 t -70.1 121.41 19.67 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.046 0 C-N-CA 124.822 1.249 . . . . 10.0 110.654 -178.694 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -72.83 159.19 34.16 Favored 'General case' 0 CA--C 1.545 0.785 0 C-N-CA 124.748 1.219 . . . . 10.0 112.789 175.783 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 38.9 mm-40 -67.81 124.8 24.31 Favored 'General case' 0 CA--C 1.54 0.566 0 O-C-N 121.439 -0.788 . . . . 10.0 110.44 170.815 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 5' ' ' ASN . . . . . . . . . . . . . 32.3 m120 -77.45 62.04 2.36 Favored 'General case' 0 CA--C 1.546 0.823 0 C-N-CA 124.247 1.019 . . . . 10.0 111.523 178.312 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 7.9 ptm180 -83.17 156.82 66.42 Favored Pre-proline 0 N--CA 1.475 0.804 0 C-N-CA 125.122 1.369 . . . . 10.0 111.928 170.824 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 7' ' ' PRO . . . . . . . . . . . . . 71.2 Cg_exo -48.58 120.88 5.66 Favored 'Trans proline' 0 CA--C 1.54 0.816 0 C-N-CA 123.548 2.832 . . . . 10.0 112.406 171.32 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . 110.74 -15.08 29.29 Favored Glycine 0 CA--C 1.538 1.486 0 C-N-CA 126.579 2.038 . . . . 10.0 114.335 -172.798 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -61.86 131.89 51.27 Favored 'General case' 0 CA--C 1.545 0.751 0 CA-C-N 119.565 1.683 . . . . 10.0 112.38 -175.482 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 10' ' ' PHE . . . . . . . . . . . . . 23.7 m-85 -62.45 149.99 41.17 Favored 'General case' 0 CA--C 1.54 0.582 0 O-C-N 121.636 -0.665 . . . . 10.0 112.597 174.28 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 75.7 mt -118.75 96.86 4.71 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.465 0 N-CA-C 106.28 -1.748 . . . . 10.0 106.28 169.423 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 85.4 mttt -93.39 91.69 7.29 Favored 'General case' 0 N--CA 1.472 0.635 0 C-N-CA 125.024 1.329 . . . . 10.0 110.208 -176.357 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 22.0 mt-30 -77.4 -21.22 53.48 Favored 'General case' 0 CA--C 1.54 0.572 0 C-N-CA 124.253 1.021 . . . . 10.0 111.883 172.099 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . 65.4 54.55 25.9 Favored Glycine 0 CA--C 1.531 1.058 0 C-N-CA 124.719 1.152 . . . . 10.0 111.083 -176.595 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 4.7 tmm_? -133.01 129.73 38.51 Favored 'General case' 0 N--CA 1.47 0.539 0 C-N-CA 126.86 2.064 . . . . 10.0 110.18 -169.525 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 46.2 tttm -74.76 111.17 9.69 Favored 'General case' 0 N--CA 1.472 0.661 0 C-N-CA 124.081 0.953 . . . . 10.0 111.486 -178.461 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 85.4 mt -74.06 177.54 5.63 Favored 'General case' 0 CA--C 1.547 0.857 0 C-N-CA 126.272 1.829 . . . . 10.0 112.245 170.844 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 20.3 t0 -124.61 92.39 3.64 Favored 'General case' 0 CA--C 1.542 0.639 0 C-N-CA 125.638 1.575 . . . . 10.0 110.371 173.648 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . 73.1 mt -132.83 128.87 57.58 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.709 0 C-N-CA 127.5 2.32 . . . . 10.0 107.785 -179.034 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 24.0 t0 -86.83 85.27 7.26 Favored 'General case' 0 CA--C 1.539 0.552 0 CA-C-O 121.947 0.879 . . . . 10.0 110.652 172.593 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 21' ' ' PHE . . . . . . . . . . . . . 77.6 m-85 -62.53 -41.54 98.94 Favored 'General case' 0 CA--C 1.54 0.586 0 C-N-CA 126.59 1.956 . . . . 10.0 111.684 171.028 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 131.49 155.22 8.04 Favored Glycine 0 CA--C 1.532 1.116 0 C-N-CA 128.15 2.786 . . . . 10.0 109.666 -169.726 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -41.46 -57.71 2.12 Favored 'General case' 0 CA--C 1.548 0.869 0 N-CA-C 115.333 1.605 . . . . 10.0 115.333 -169.665 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 37.0 tt0 -63.52 -43.98 95.59 Favored 'General case' 0 CA--C 1.544 0.714 0 C-N-CA 124.405 1.082 . . . . 10.0 112.682 179.057 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -65.66 -41.64 95.84 Favored Glycine 0 CA--C 1.534 1.265 0 C-N-CA 124.916 1.246 . . . . 10.0 113.991 177.8 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 82.0 m-20 -55.99 -49.25 74.14 Favored 'General case' 0 CA--C 1.537 0.457 0 C-N-CA 126.245 1.818 . . . . 10.0 110.445 173.658 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 98.6 mtt180 -60.66 -46.66 89.47 Favored 'General case' 0 N--CA 1.475 0.792 0 C-N-CA 125.102 1.361 . . . . 10.0 111.347 176.431 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 28' ' ' TYR . . . . . . . . . . . . . 75.9 t80 -58.43 -53.09 62.28 Favored 'General case' 0 CA--C 1.534 0.362 0 C-N-CA 123.969 0.908 . . . . 10.0 111.985 177.403 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 29' ' ' TYR . . . . . . . . . . . . . 74.9 t80 -56.02 -54.11 48.9 Favored 'General case' 0 CA--C 1.535 0.402 0 C-N-CA 124.534 1.133 . . . . 10.0 112.394 176.45 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -50.27 -37.17 34.61 Favored 'General case' 0 CA--C 1.547 0.827 0 N-CA-C 113.81 1.041 . . . . 10.0 113.81 177.122 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -82.95 -21.24 34.11 Favored 'General case' 0 CA--C 1.552 1.034 0 N-CA-C 115.262 1.579 . . . . 10.0 115.262 176.491 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 32' ' ' ASN . . . . . . . . . . . . . 61.0 m-80 -131.32 7.61 4.59 Favored 'General case' 0 CA--C 1.547 0.865 0 N-CA-C 116.888 2.181 . . . . 10.0 116.888 -169.145 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 33' ' ' TYR . . . . . . . . . . . . . 39.9 p90 -51.86 -25.99 9.09 Favored 'General case' 0 N--CA 1.479 0.984 0 N-CA-C 115.533 1.679 . . . . 10.0 115.533 -174.668 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 34' ' ' TRP . . . . . . . . . . . . . 65.8 p-90 -52.42 -34.57 49.03 Favored 'General case' 0 CA--C 1.546 0.825 0 C-N-CA 125.669 1.587 . . . . 10.0 114.116 172.094 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 31.1 mt-30 -69.89 -37.82 76.13 Favored 'General case' 0 N--CA 1.475 0.781 0 C-N-CA 124.57 1.148 . . . . 10.0 113.343 176.51 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 36' ' ' PHE . . . . . . . . . . . . . 65.2 m-85 -75.81 157.66 83.58 Favored Pre-proline 0 CA--C 1.546 0.802 0 C-N-CA 126.98 2.112 . . . . 10.0 114.202 -169.579 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 61.6 Cg_endo -73.7 150.01 44.23 Favored 'Trans proline' 0 CA--C 1.54 0.786 0 C-N-CA 123.272 2.648 . . . . 10.0 110.701 169.355 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 26.9 t70 -104.54 -33.9 8.39 Favored 'General case' 0 N--CA 1.472 0.661 0 C-N-CA 124.854 1.262 . . . . 10.0 111.248 172.11 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . -132.51 172.85 21.07 Favored Glycine 0 CA--C 1.536 1.35 0 C-N-CA 126.835 2.159 . . . . 10.0 111.218 169.387 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 40' ' ' ILE . . . . . . . . . . . . . 89.1 mt -136.52 124.04 33.2 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.779 0 C-N-CA 124.701 1.2 . . . . 10.0 108.764 174.496 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 41' ' ' TYR . . . . . . . . . . . . . 60.7 t80 -72.18 98.89 2.23 Favored 'General case' 0 CA--C 1.536 0.428 0 C-N-CA 124.35 1.06 . . . . 10.0 110.112 171.718 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 42' ' ' TYR . . . . . . . . . . . . . 61.2 t80 -157.69 139.7 14.21 Favored 'General case' 0 CA--C 1.535 0.372 0 C-N-CA 123.975 0.91 . . . . 10.0 111.88 177.885 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 46.4 mt-10 -128.42 89.15 2.85 Favored 'General case' 0 CA--C 1.539 0.542 0 C-N-CA 126.947 2.099 . . . . 10.0 108.365 179.784 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . -92.74 38.39 3.18 Favored Glycine 0 N--CA 1.47 0.939 0 N-CA-C 117.202 1.641 . . . . 10.0 117.202 -168.998 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 45' ' ' CYS . . . . . . . . . . . . . 28.0 p -145.75 133.68 21.34 Favored 'General case' 0 CA--C 1.54 0.56 0 CA-C-N 118.161 0.98 . . . . 10.0 112.479 170.524 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 73.8 p -139.15 -4.66 1.49 Allowed 'General case' 0 N--CA 1.475 0.794 0 C-N-CA 126.171 1.788 . . . . 10.0 114.0 179.196 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 77.7 mm-40 -141.57 138.29 32.55 Favored 'General case' 0 N--CA 1.471 0.604 0 C-N-CA 126.526 1.931 . . . . 10.0 110.769 -175.426 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -54.71 -31.48 58.21 Favored 'General case' 0 CA--C 1.548 0.885 0 C-N-CA 124.672 1.189 . . . . 10.0 113.674 176.131 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 73.4 m-80 -68.31 -22.87 64.69 Favored 'General case' 0 CA--C 1.544 0.727 0 C-N-CA 126.014 1.726 . . . . 10.0 114.278 178.6 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . 2.5 p -59.86 149.19 7.02 Favored 'Isoleucine or valine' 0 N--CA 1.479 1.019 0 C-N-CA 124.274 1.03 . . . . 10.0 112.741 -174.364 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 36.5 p -117.62 169.76 9.31 Favored 'General case' 0 N--CA 1.479 0.982 0 C-N-CA 125.475 1.51 . . . . 10.0 112.057 -177.953 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 88.1 tttt -58.77 -49.63 76.93 Favored 'General case' 0 N--CA 1.472 0.659 0 C-N-CA 123.778 0.831 . . . . 10.0 111.522 169.89 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 45.1 mt-10 -51.46 -48.6 62.75 Favored 'General case' 0 N--CA 1.472 0.671 0 C-N-CA 124.058 0.943 . . . . 10.0 111.862 176.254 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 54' ' ' MET . . . . . . . . . . . . . 98.1 mtp -57.16 -56.27 23.95 Favored 'General case' 0 CA--C 1.536 0.416 0 C-N-CA 124.045 0.938 . . . . 10.0 112.223 171.263 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 10.0 tt -53.76 -53.4 52.76 Favored 'General case' 0 N--CA 1.471 0.62 0 C-N-CA 124.873 1.269 . . . . 10.0 112.764 -178.021 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 48.0 t -61.38 -48.12 90.31 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.883 0 C-N-CA 124.956 1.302 . . . . 10.0 111.443 -179.005 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 57' ' ' THR . . . . . . . . . . . . . 59.8 m -60.02 -48.05 83.32 Favored 'General case' 0 N--CA 1.478 0.968 0 C-N-CA 124.012 0.925 . . . . 10.0 111.755 175.67 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 41.3 m -60.88 -38.32 85.26 Favored 'General case' 0 N--CA 1.47 0.546 0 C-N-CA 124.617 1.167 . . . . 10.0 112.211 177.447 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 59' ' ' CYS . . . . . . . . . . . . . 44.8 t -58.38 -49.9 75.6 Favored 'General case' 0 CA--C 1.535 0.368 0 C-N-CA 124.907 1.283 . . . . 10.0 112.932 172.49 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 60' ' ' VAL . . . . . . . . . . . . . 55.3 t -54.55 -50.62 57.36 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.94 0 CA-C-N 118.886 0.766 . . . . 10.0 111.095 172.086 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 61' ' ' ASN . . . . . . . . . . . . . 16.6 m-80 -58.14 -45.1 87.96 Favored 'General case' 0 CA--C 1.545 0.765 0 C-N-CA 124.516 1.126 . . . . 10.0 113.377 176.786 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -62.49 -47.39 84.2 Favored 'General case' 0 CA--C 1.535 0.372 0 C-N-CA 124.249 1.02 . . . . 10.0 111.406 175.866 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 63' ' ' THR . . . . . . . . . . . . . 28.6 m -55.54 -49.9 71.41 Favored 'General case' 0 N--CA 1.472 0.634 0 C-N-CA 124.99 1.316 . . . . 10.0 111.261 175.752 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 64' ' ' GLN . . . . . . . . . . . . . 83.7 mt-30 -49.25 -60.16 3.05 Favored 'General case' 0 CA--C 1.536 0.42 0 C-N-CA 125.248 1.419 . . . . 10.0 111.779 171.737 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -57.78 -41.75 82.68 Favored 'General case' 0 CA--C 1.545 0.762 0 C-N-CA 125.581 1.552 . . . . 10.0 113.798 -178.919 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -66.25 -39.83 89.78 Favored 'General case' 0 CA--C 1.542 0.658 0 C-N-CA 125.026 1.331 . . . . 10.0 114.063 178.679 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 67' ' ' ASN . . . . . . . . . . . . . 11.5 m-80 -119.1 38.9 3.69 Favored 'General case' 0 CA--C 1.548 0.881 0 C-N-CA 124.249 1.019 . . . . 10.0 112.833 -169.804 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 68' ' ' GLN . . . . . . . . . . . . . 32.0 mm-40 -48.62 -55.16 12.0 Favored 'General case' 0 N--CA 1.476 0.835 0 C-N-CA 126.61 1.964 . . . . 10.0 113.702 -176.382 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -57.39 -44.43 84.49 Favored 'General case' 0 CA--C 1.542 0.661 0 C-N-CA 124.779 1.232 . . . . 10.0 113.353 -175.761 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 48.0 mt-10 -59.78 -50.73 72.68 Favored 'General case' 0 N--CA 1.472 0.633 0 C-N-CA 124.579 1.151 . . . . 10.0 111.967 177.474 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 71' ' ' PHE . . . . . . . . . . . . . 40.5 m-85 -61.27 -60.0 4.43 Favored 'General case' 0 CA--C 1.535 0.403 0 C-N-CA 123.134 0.574 . . . . 10.0 112.039 174.829 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 27.3 t -49.2 -51.86 30.32 Favored 'General case' 0 N--CA 1.471 0.594 0 C-N-CA 126.263 1.825 . . . . 10.0 113.608 -171.044 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 73' ' ' ARG . . . . . . . . . . . . . 88.6 mtm180 -58.41 -56.03 27.39 Favored 'General case' 0 N--CA 1.475 0.819 0 C-N-CA 125.275 1.43 . . . . 10.0 112.639 178.943 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 18.0 mt-10 -67.09 -46.43 74.25 Favored 'General case' 0 N--CA 1.47 0.556 0 N-CA-C 113.969 1.099 . . . . 10.0 113.969 -178.303 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 88.0 tttt -48.19 -29.25 3.55 Favored 'General case' 0 N--CA 1.48 1.04 0 C-N-CA 127.325 2.25 . . . . 10.0 115.116 -173.773 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 76' ' ' GLN . . . . . . . . . . . . . 72.9 mm-40 -54.46 -32.83 58.5 Favored 'General case' 0 CA--C 1.545 0.785 0 C-N-CA 125.218 1.407 . . . . 10.0 113.831 174.535 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 32.1 t70 -138.1 -37.21 0.58 Allowed 'General case' 0 CA--C 1.546 0.8 0 C-N-CA 125.463 1.505 . . . . 10.0 114.352 -171.563 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -76.9 54.41 1.01 Allowed 'General case' 0 CA--C 1.547 0.865 0 C-N-CA 127.31 2.244 . . . . 10.0 113.71 -169.892 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 24.6 ttmm -54.33 -51.64 64.07 Favored 'General case' 0 N--CA 1.478 0.948 0 C-N-CA 126.61 1.964 . . . . 10.0 113.321 -174.067 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 43.0 tp -56.63 -48.56 77.25 Favored 'General case' 0 CA--C 1.538 0.502 0 C-N-CA 124.518 1.127 . . . . 10.0 111.641 175.904 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 81' ' ' HIS . . . . . . . . . . . . . 14.1 t-160 -56.35 -53.81 52.91 Favored 'General case' 0 N--CA 1.469 0.524 0 CA-C-O 118.44 -0.79 . . . . 10.0 111.411 175.053 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 82' ' ' GLN . . . . . . . . . . . . . 93.1 mm-40 -48.87 -56.42 8.81 Favored 'General case' 0 N--CA 1.47 0.572 0 C-N-CA 124.573 1.149 . . . . 10.0 112.078 177.241 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 83' ' ' ARG . . . . . . . . . . . . . 80.2 ttt180 -49.56 -57.52 6.95 Favored 'General case' 0 N--CA 1.478 0.949 0 C-N-CA 124.731 1.212 . . . . 10.0 112.512 178.911 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 84' ' ' VAL . . . . . . . . . . . . . 58.5 t -60.46 -50.58 79.8 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.823 0 C-N-CA 125.608 1.563 . . . . 10.0 111.078 179.614 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 85' ' ' LEU . . . . . . . . . . . . . 52.0 tp -56.6 -50.23 72.6 Favored 'General case' 0 N--CA 1.469 0.505 0 C-N-CA 125.884 1.674 . . . . 10.0 112.71 178.895 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 86' ' ' TRP . . . . . . . . . . . . . 64.3 m95 -60.81 -41.98 96.73 Favored 'General case' 0 N--CA 1.468 0.425 0 N-CA-C 113.488 0.922 . . . . 10.0 113.488 176.311 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 87' ' ' ARG . . . . . . . . . . . . . 14.1 tpt180 -56.43 -50.37 71.87 Favored 'General case' 0 N--CA 1.474 0.743 0 CA-C-N 118.698 0.681 . . . . 10.0 111.417 170.039 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 88' ' ' LEU . . . . . . . . . . . . . 2.2 tt -55.3 -53.99 49.18 Favored 'General case' 0 CA--C 1.545 0.761 0 C-N-CA 124.66 1.184 . . . . 10.0 111.764 176.735 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 89' ' ' ILE . . . . . . . . . . . . . 83.9 mt -50.62 -51.35 19.72 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.709 0 C-N-CA 124.896 1.279 . . . . 10.0 110.857 173.849 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 65.9 tttp -58.24 -45.53 87.57 Favored 'General case' 0 N--CA 1.471 0.606 0 CA-C-O 117.95 -1.024 . . . . 10.0 113.296 176.803 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 64.9 mm-40 -53.51 -51.05 64.08 Favored 'General case' 0 N--CA 1.473 0.714 0 CA-C-N 120.027 1.285 . . . . 10.0 111.752 172.417 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 92' ' ' ILE . . . . . . . . . . . . . 97.7 mt -57.43 -53.86 38.49 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.968 0 C-N-CA 124.093 0.957 . . . . 10.0 111.407 174.817 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 93' ' ' CYS . . . . . . . . . . . . . 67.9 m -56.73 -43.45 80.65 Favored 'General case' 0 CA--C 1.542 0.638 0 C-N-CA 124.577 1.151 . . . . 10.0 112.614 179.653 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 50.4 m -61.74 -43.0 99.7 Favored 'General case' 0 N--CA 1.474 0.765 0 C-N-CA 125.448 1.499 . . . . 10.0 112.891 173.241 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . -62.98 -50.77 69.45 Favored 'General case' 0 CA--C 1.542 0.672 0 C-N-CA 125.249 1.42 . . . . 10.0 113.32 -178.768 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 96' ' ' LYS . . . . . . . . . . . . . 1.1 ptpm? -60.78 142.3 56.14 Favored 'General case' 0 N--CA 1.481 1.078 0 CA-C-N 118.891 0.768 . . . . 10.0 111.901 176.001 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 97' ' ' HIS . . . . . . . . . . . . . 2.0 m-70 -137.13 152.3 49.82 Favored 'General case' 0 N--CA 1.476 0.833 0 C-N-CA 127.176 2.191 . . . . 10.0 110.377 -175.59 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 98' ' ' CYS . . . . . . . . . . . . . 23.5 t -69.38 144.72 53.33 Favored 'General case' 0 CA--C 1.543 0.683 0 N-CA-C 112.383 0.512 . . . . 10.0 112.383 176.503 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 99' ' ' ASP . . . . . . . . . . . . . 31.7 t70 -65.22 -45.73 83.52 Favored 'General case' 0 CA--C 1.545 0.757 0 C-N-CA 124.944 1.298 . . . . 10.0 113.221 174.413 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 100' ' ' PHE . . . . . . . . . . . . . 9.8 p90 -95.52 7.93 44.79 Favored 'General case' 0 CA--C 1.545 0.775 0 N-CA-C 115.752 1.76 . . . . 10.0 115.752 -169.836 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 101' ' ' TRP . . . . . . . . . . . . . 7.8 m0 -55.58 143.42 29.97 Favored 'General case' 0 N--CA 1.476 0.852 0 CA-C-N 119.795 1.18 . . . . 10.0 113.129 176.81 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 102' ' ' LEU . . . . . . . . . . . . . 2.6 pt? -147.04 172.26 14.01 Favored 'General case' 0 CA--C 1.542 0.671 0 C-N-CA 127.116 2.166 . . . . 10.0 112.046 -170.025 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 55.4 mm-40 -61.0 130.36 46.02 Favored 'General case' 0 CA--C 1.542 0.664 0 C-N-CA 124.104 0.962 . . . . 10.0 111.7 175.482 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 104' ' ' ARG . . . . . . . . . . . . . 23.8 mmm180 -59.32 -38.6 80.69 Favored 'General case' 0 N--CA 1.478 0.97 0 C-N-CA 125.535 1.534 . . . . 10.0 114.093 -170.644 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 105' ' ' GLY . . . . . . . . . . . . . . . -148.13 70.31 0.33 Allowed Glycine 0 CA--C 1.53 1.0 0 C-N-CA 125.313 1.435 . . . . 10.0 112.242 178.635 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 106' ' ' ALA . . . . . . . . . . . . . . . -63.79 140.09 58.84 Favored 'General case' 0 CA--C 1.548 0.867 0 C-N-CA 124.629 1.172 . . . . 10.0 112.35 176.056 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 107' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.253 1.264 0 C-N-CA 126.4 1.88 . . . . 10.0 111.986 179.274 . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' 1' ' ' ARG . . . . . . . . . . . . . 58.0 ttt-85 . . . . . 0 N--CA 1.488 1.444 0 CA-C-O 120.701 0.286 . . . . 10.0 110.394 . . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' 2' ' ' VAL . . . . . . . . . . . . . 91.7 t -62.29 136.89 25.0 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.972 0 C-N-CA 124.205 1.002 . . . . 10.0 109.413 169.508 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -68.74 134.47 49.84 Favored 'General case' 0 CA--C 1.544 0.737 0 C-N-CA 123.675 0.79 . . . . 10.0 111.783 176.01 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 81.0 mm-40 -68.04 130.91 44.37 Favored 'General case' 0 N--CA 1.47 0.552 0 O-C-N 121.426 -0.796 . . . . 10.0 109.047 169.647 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 5' ' ' ASN . . . . . . . . . . . . . 30.7 m120 -70.51 80.76 0.57 Allowed 'General case' 0 CA--C 1.549 0.922 0 CA-C-O 122.08 0.943 . . . . 10.0 112.02 -179.073 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 6.5 ptm180 -136.29 160.13 68.12 Favored Pre-proline 0 N--CA 1.472 0.675 0 C-N-CA 129.198 2.999 . . . . 10.0 110.495 173.198 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 7' ' ' PRO . . . . . . . . . . . . . 84.5 Cg_exo -46.85 121.35 4.91 Favored 'Trans proline' 0 CA--C 1.537 0.636 0 C-N-CA 123.229 2.62 . . . . 10.0 112.293 174.279 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . 112.92 -20.43 19.78 Favored Glycine 0 CA--C 1.538 1.493 0 C-N-CA 126.565 2.031 . . . . 10.0 114.622 -171.2 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -58.57 132.22 53.12 Favored 'General case' 0 CA--C 1.544 0.734 0 CA-C-N 119.416 1.608 . . . . 10.0 114.033 -170.531 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 10' ' ' PHE . . . . . . . . . . . . . 15.1 m-30 -57.39 142.28 44.3 Favored 'General case' 0 CA--C 1.543 0.674 0 C-N-CA 124.969 1.308 . . . . 10.0 112.544 170.9 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 74.2 mt -123.9 120.4 59.54 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.558 0 C-N-CA 125.38 1.472 . . . . 10.0 107.645 169.777 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 8.3 mtpm? -120.24 83.67 2.09 Favored 'General case' 0 N--CA 1.47 0.553 0 C-N-CA 126.238 1.815 . . . . 10.0 109.944 -176.805 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 16.6 mm100 -77.33 -40.13 45.25 Favored 'General case' 0 CA--C 1.541 0.6 0 C-N-CA 126.658 1.983 . . . . 10.0 110.838 171.684 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . 103.63 67.19 0.74 Allowed Glycine 0 CA--C 1.529 0.965 0 C-N-CA 126.418 1.961 . . . . 10.0 111.094 -178.825 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 20.8 ttp180 -135.28 120.59 19.03 Favored 'General case' 0 N--CA 1.471 0.587 0 C-N-CA 126.808 2.043 . . . . 10.0 110.947 -169.84 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 70.1 tttt -82.05 138.79 34.77 Favored 'General case' 0 N--CA 1.474 0.772 0 C-N-CA 126.302 1.841 . . . . 10.0 110.898 178.795 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 56.8 mt -123.17 139.81 53.67 Favored 'General case' 0 N--CA 1.472 0.665 0 C-N-CA 125.627 1.571 . . . . 10.0 112.676 -169.94 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 12.9 p-10 -79.0 91.71 4.88 Favored 'General case' 0 CA--C 1.546 0.817 0 C-N-CA 126.516 1.926 . . . . 10.0 111.894 172.669 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . 86.0 mt -134.49 127.95 50.75 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.818 0 C-N-CA 126.527 1.931 . . . . 10.0 108.713 179.638 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 22.5 t0 -92.84 87.01 5.67 Favored 'General case' 0 CA--C 1.538 0.504 0 C-N-CA 124.036 0.934 . . . . 10.0 110.649 171.888 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 21' ' ' PHE . . . . . . . . . . . . . 91.0 m-85 -64.72 -42.16 95.44 Favored 'General case' 0 CA--C 1.539 0.55 0 C-N-CA 127.041 2.136 . . . . 10.0 112.016 172.537 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 131.87 158.15 8.94 Favored Glycine 0 CA--C 1.532 1.131 0 C-N-CA 127.749 2.595 . . . . 10.0 109.772 -169.338 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -40.51 -59.01 1.44 Allowed 'General case' 0 CA--C 1.546 0.792 0 N-CA-C 115.245 1.572 . . . . 10.0 115.245 -169.563 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 2.0 tp10 -68.57 -41.0 80.31 Favored 'General case' 0 N--CA 1.473 0.698 0 O-C-N 121.504 -0.748 . . . . 10.0 112.972 -178.311 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -65.79 -38.39 94.35 Favored Glycine 0 CA--C 1.533 1.203 0 C-N-CA 124.321 0.962 . . . . 10.0 113.783 176.677 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 90.5 m-20 -58.24 -50.57 73.12 Favored 'General case' 0 CA--C 1.535 0.37 0 C-N-CA 125.909 1.684 . . . . 10.0 110.335 173.037 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 92.8 mtt180 -55.89 -49.63 72.87 Favored 'General case' 0 N--CA 1.478 0.963 0 C-N-CA 124.547 1.139 . . . . 10.0 111.026 174.68 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 28' ' ' TYR . . . . . . . . . . . . . 74.5 t80 -58.42 -56.37 23.03 Favored 'General case' 0 CA--C 1.536 0.412 0 C-N-CA 124.412 1.085 . . . . 10.0 112.249 179.963 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 29' ' ' TYR . . . . . . . . . . . . . 80.5 t80 -56.51 -50.59 71.34 Favored 'General case' 0 CA--C 1.537 0.459 0 C-N-CA 124.07 0.948 . . . . 10.0 112.201 176.454 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -51.81 -35.68 45.08 Favored 'General case' 0 CA--C 1.545 0.773 0 N-CA-C 113.713 1.005 . . . . 10.0 113.713 179.158 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -86.83 -28.75 22.72 Favored 'General case' 0 CA--C 1.551 1.004 0 C-N-CA 125.509 1.524 . . . . 10.0 114.945 175.898 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 32' ' ' ASN . . . . . . . . . . . . . 53.4 m-80 -122.83 10.78 9.61 Favored 'General case' 0 CA--C 1.547 0.83 0 N-CA-C 116.441 2.015 . . . . 10.0 116.441 -169.1 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 33' ' ' TYR . . . . . . . . . . . . . 45.7 p90 -48.23 -34.1 9.69 Favored 'General case' 0 N--CA 1.477 0.908 0 C-N-CA 126.277 1.831 . . . . 10.0 114.824 -177.755 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 34' ' ' TRP . . . . . . . . . . . . . 64.1 p-90 -51.44 -29.74 17.12 Favored 'General case' 0 CA--C 1.545 0.782 0 C-N-CA 126.298 1.839 . . . . 10.0 114.772 173.78 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 30.4 mt-30 -72.5 -31.88 65.72 Favored 'General case' 0 N--CA 1.473 0.709 0 C-N-CA 124.729 1.212 . . . . 10.0 113.771 175.562 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 36' ' ' PHE . . . . . . . . . . . . . 46.4 m-85 -78.75 151.98 77.25 Favored Pre-proline 0 CA--C 1.545 0.76 0 C-N-CA 125.045 1.338 . . . . 10.0 112.872 -169.671 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 94.9 Cg_endo -73.61 103.87 1.71 Allowed 'Trans proline' 0 CA--C 1.536 0.611 0 C-N-CA 123.49 2.793 . . . . 10.0 109.52 169.602 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 3.0 p30 -70.02 -24.61 63.31 Favored 'General case' 0 N--CA 1.474 0.768 0 O-C-N 120.786 -1.196 . . . . 10.0 112.482 179.045 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . -126.37 162.7 20.5 Favored Glycine 0 CA--C 1.539 1.56 0 C-N-CA 126.177 1.846 . . . . 10.0 110.805 168.821 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 40' ' ' ILE . . . . . . . . . . . . . 94.7 mt -137.01 123.73 29.45 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.883 0 C-N-CA 124.521 1.129 . . . . 10.0 108.901 173.431 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 41' ' ' TYR . . . . . . . . . . . . . 67.3 t80 -71.59 106.7 4.13 Favored 'General case' 0 CA--C 1.535 0.383 0 C-N-CA 123.694 0.798 . . . . 10.0 110.191 171.888 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 42' ' ' TYR . . . . . . . . . . . . . 83.9 t80 -155.09 135.16 13.02 Favored 'General case' 0 CA--C 1.534 0.364 0 C-N-CA 124.138 0.975 . . . . 10.0 110.856 172.035 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 47.5 mt-10 -134.37 83.51 2.04 Favored 'General case' 0 N--CA 1.471 0.591 0 C-N-CA 125.905 1.682 . . . . 10.0 110.404 -175.708 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . -81.81 -29.4 38.89 Favored Glycine 0 CA--C 1.536 1.38 0 C-N-CA 124.739 1.162 . . . . 10.0 114.622 -177.292 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 45' ' ' CYS . . . . . . . . . . . . . 66.2 m -55.83 119.94 6.58 Favored 'General case' 0 CA--C 1.543 0.693 0 C-N-CA 126.003 1.721 . . . . 10.0 112.907 -176.663 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 14.5 p -144.68 -61.09 0.37 Allowed 'General case' 0 N--CA 1.472 0.633 0 C-N-CA 126.086 1.755 . . . . 10.0 111.788 178.93 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 11.5 pt-20 -142.59 158.95 43.14 Favored 'General case' 0 N--CA 1.472 0.659 0 C-N-CA 125.969 1.708 . . . . 10.0 112.915 -179.362 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -52.94 -29.2 27.33 Favored 'General case' 0 CA--C 1.546 0.794 0 C-N-CA 126.262 1.825 . . . . 10.0 115.546 -174.891 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 74.6 m-20 -59.41 -29.12 67.52 Favored 'General case' 0 CA--C 1.545 0.784 0 C-N-CA 124.628 1.171 . . . . 10.0 113.196 173.989 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . 64.2 t -74.81 95.15 0.9 Allowed 'Isoleucine or valine' 0 N--CA 1.473 0.689 0 C-N-CA 124.589 1.156 . . . . 10.0 108.724 169.784 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 81.5 p -75.4 176.71 7.23 Favored 'General case' 0 N--CA 1.477 0.906 0 C-N-CA 125.381 1.473 . . . . 10.0 111.798 171.864 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 88.0 tttt -59.99 -50.39 73.93 Favored 'General case' 0 N--CA 1.473 0.684 0 O-C-N 121.067 -1.021 . . . . 10.0 110.94 169.761 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 2.3 mp0 -50.21 -49.89 51.34 Favored 'General case' 0 CA--C 1.538 0.509 0 C-N-CA 124.797 1.239 . . . . 10.0 111.915 176.578 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 54' ' ' MET . . . . . . . . . . . . . 84.4 mmm -54.82 -57.85 9.94 Favored 'General case' 0 N--CA 1.468 0.452 0 C-N-CA 124.628 1.171 . . . . 10.0 112.176 171.078 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 6.9 tt -60.07 -54.72 42.65 Favored 'General case' 0 CA--C 1.534 0.342 0 C-N-CA 124.3 1.04 . . . . 10.0 112.472 -174.043 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 96.2 t -58.47 -45.33 90.03 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.795 0 C-N-CA 125.543 1.537 . . . . 10.0 111.228 -177.391 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 57' ' ' THR . . . . . . . . . . . . . 62.4 m -60.44 -48.72 80.54 Favored 'General case' 0 N--CA 1.477 0.923 0 C-N-CA 124.148 0.979 . . . . 10.0 111.455 173.48 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 48.8 m -59.23 -39.3 82.31 Favored 'General case' 0 N--CA 1.471 0.609 0 C-N-CA 124.136 0.974 . . . . 10.0 112.612 176.086 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 59' ' ' CYS . . . . . . . . . . . . . 44.6 t -59.08 -48.78 80.35 Favored 'General case' 0 CA--C 1.536 0.44 0 C-N-CA 126.094 1.757 . . . . 10.0 112.662 173.447 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 60' ' ' VAL . . . . . . . . . . . . . 51.1 t -55.92 -50.63 67.9 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.042 0 CA-C-N 119.129 0.877 . . . . 10.0 111.298 171.993 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 61' ' ' ASN . . . . . . . . . . . . . 21.9 m-80 -57.04 -44.95 83.46 Favored 'General case' 0 CA--C 1.544 0.729 0 C-N-CA 124.508 1.123 . . . . 10.0 113.018 175.915 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -61.55 -46.66 88.99 Favored 'General case' 0 CA--C 1.538 0.484 0 C-N-CA 124.476 1.111 . . . . 10.0 111.33 174.834 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 63' ' ' THR . . . . . . . . . . . . . 32.6 m -55.89 -47.99 76.41 Favored 'General case' 0 N--CA 1.472 0.673 0 C-N-CA 125.376 1.471 . . . . 10.0 111.815 176.029 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 64' ' ' GLN . . . . . . . . . . . . . 42.1 mt-30 -50.16 -60.66 2.74 Favored 'General case' 0 CA--C 1.538 0.517 0 C-N-CA 124.413 1.085 . . . . 10.0 111.534 170.78 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -56.92 -43.54 81.53 Favored 'General case' 0 CA--C 1.545 0.758 0 C-N-CA 125.867 1.667 . . . . 10.0 114.141 -178.082 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -68.26 -35.82 78.48 Favored 'General case' 0 CA--C 1.545 0.755 0 C-N-CA 125.153 1.381 . . . . 10.0 114.206 179.506 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 67' ' ' ASN . . . . . . . . . . . . . 7.1 m-80 -123.54 37.81 4.33 Favored 'General case' 0 CA--C 1.547 0.836 0 C-N-CA 124.271 1.028 . . . . 10.0 113.091 -169.776 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 68' ' ' GLN . . . . . . . . . . . . . 62.8 mt-30 -51.94 -50.94 60.17 Favored 'General case' 0 N--CA 1.476 0.871 0 C-N-CA 126.142 1.777 . . . . 10.0 113.241 -175.917 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -53.43 -46.79 69.95 Favored 'General case' 0 CA--C 1.541 0.597 0 C-N-CA 125.257 1.423 . . . . 10.0 112.937 -178.199 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 23.5 mm-40 -58.21 -56.34 23.26 Favored 'General case' 0 N--CA 1.469 0.515 0 C-N-CA 124.5 1.12 . . . . 10.0 111.177 -178.564 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 71' ' ' PHE . . . . . . . . . . . . . 25.9 m-85 -55.71 -48.84 74.47 Favored 'General case' 0 CA--C 1.538 0.519 0 C-N-CA 124.522 1.129 . . . . 10.0 112.159 174.949 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 69.8 m -56.3 -46.44 79.8 Favored 'General case' 0 N--CA 1.473 0.703 0 C-N-CA 125.527 1.531 . . . . 10.0 113.386 -179.282 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 73' ' ' ARG . . . . . . . . . . . . . 28.7 mmm180 -66.16 -55.18 17.63 Favored 'General case' 0 N--CA 1.474 0.759 0 C-N-CA 124.501 1.121 . . . . 10.0 112.147 174.997 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 31.5 mm-40 -57.95 -55.86 29.43 Favored 'General case' 0 N--CA 1.471 0.579 0 C-N-CA 124.533 1.133 . . . . 10.0 113.493 -173.991 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 20.4 pttp -49.51 -27.28 4.18 Favored 'General case' 0 N--CA 1.473 0.686 0 N-CA-C 116.882 2.178 . . . . 10.0 116.882 -170.05 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 76' ' ' GLN . . . . . . . . . . . . . 21.9 mm100 -58.4 -33.83 70.08 Favored 'General case' 0 CA--C 1.542 0.667 0 C-N-CA 125.693 1.597 . . . . 10.0 113.055 178.228 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 32.6 t70 -135.1 -40.22 0.75 Allowed 'General case' 0 N--CA 1.473 0.715 0 C-N-CA 125.753 1.621 . . . . 10.0 113.088 -176.121 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -77.13 52.92 0.93 Allowed 'General case' 0 CA--C 1.545 0.767 0 C-N-CA 127.814 2.446 . . . . 10.0 112.681 -176.074 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 99.3 mttt -59.33 -52.29 66.26 Favored 'General case' 0 N--CA 1.475 0.778 0 C-N-CA 126.087 1.755 . . . . 10.0 112.421 -174.681 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 50.6 tp -57.14 -46.21 82.88 Favored 'General case' 0 N--CA 1.471 0.587 0 C-N-CA 123.873 0.869 . . . . 10.0 111.552 173.073 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 81' ' ' HIS . . . . . . . . . . . . . 17.7 t-160 -52.18 -54.48 30.28 Favored 'General case' 0 N--CA 1.47 0.566 0 CA-C-O 117.995 -1.002 . . . . 10.0 111.454 177.418 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 82' ' ' GLN . . . . . . . . . . . . . 20.4 mm100 -49.9 -52.44 33.0 Favored 'General case' 0 N--CA 1.473 0.684 0 CA-C-N 119.277 0.944 . . . . 10.0 112.858 178.656 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 83' ' ' ARG . . . . . . . . . . . . . 55.5 mmm-85 -54.61 -54.33 42.85 Favored 'General case' 0 N--CA 1.48 1.071 0 C-N-CA 123.905 0.882 . . . . 10.0 112.524 178.702 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 84' ' ' VAL . . . . . . . . . . . . . 43.7 t -59.32 -49.53 83.16 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.895 0 C-N-CA 125.519 1.527 . . . . 10.0 110.794 177.189 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 85' ' ' LEU . . . . . . . . . . . . . 47.4 tp -55.79 -47.28 77.36 Favored 'General case' 0 N--CA 1.468 0.458 0 C-N-CA 127.166 2.186 . . . . 10.0 112.83 178.11 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 86' ' ' TRP . . . . . . . . . . . . . 62.1 m95 -63.3 -42.8 99.07 Favored 'General case' 0 N--CA 1.469 0.491 0 N-CA-C 113.82 1.045 . . . . 10.0 113.82 175.356 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 87' ' ' ARG . . . . . . . . . . . . . 14.0 tpt180 -56.75 -50.87 70.95 Favored 'General case' 0 N--CA 1.476 0.865 0 CA-C-N 118.853 0.751 . . . . 10.0 111.553 170.067 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 88' ' ' LEU . . . . . . . . . . . . . 1.9 tm? -52.17 -52.78 49.86 Favored 'General case' 0 CA--C 1.545 0.783 0 C-N-CA 125.772 1.629 . . . . 10.0 111.816 173.89 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 89' ' ' ILE . . . . . . . . . . . . . 70.3 mt -53.28 -50.74 45.65 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.788 0 C-N-CA 124.705 1.202 . . . . 10.0 111.082 173.905 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 16.7 tppt? -57.53 -48.51 79.11 Favored 'General case' 0 N--CA 1.474 0.753 0 C-N-CA 124.613 1.165 . . . . 10.0 112.965 177.371 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 68.8 mm-40 -52.67 -48.98 66.13 Favored 'General case' 0 N--CA 1.474 0.775 0 CA-C-N 119.437 1.017 . . . . 10.0 111.869 174.01 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 92' ' ' ILE . . . . . . . . . . . . . 97.3 mt -60.92 -52.06 65.98 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.679 0 C-N-CA 124.142 0.977 . . . . 10.0 111.536 174.921 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 93' ' ' CYS . . . . . . . . . . . . . 56.4 m -56.01 -46.33 78.79 Favored 'General case' 0 CA--C 1.542 0.654 0 C-N-CA 123.821 0.848 . . . . 10.0 112.248 177.943 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 16.2 t -51.19 -37.88 49.12 Favored 'General case' 0 N--CA 1.476 0.868 0 C-N-CA 125.516 1.526 . . . . 10.0 113.777 173.495 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . -66.77 -21.97 66.05 Favored 'General case' 0 CA--C 1.548 0.894 0 N-CA-C 114.924 1.453 . . . . 10.0 114.924 179.702 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 96' ' ' LYS . . . . . . . . . . . . . 3.4 mptp? -62.63 123.8 19.33 Favored 'General case' 0 N--CA 1.48 1.06 0 CA-C-N 119.643 1.11 . . . . 10.0 109.748 173.46 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 97' ' ' HIS . . . . . 0.471 ' HA ' ' CZ3' ' A' ' 101' ' ' TRP . 3.5 m-70 -133.61 154.05 51.19 Favored 'General case' 0 N--CA 1.473 0.684 0 C-N-CA 125.515 1.526 . . . . 10.0 111.635 177.7 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 98' ' ' CYS . . . . . . . . . . . . . 33.2 m -118.14 135.95 53.91 Favored 'General case' 0 CA--C 1.537 0.48 0 C-N-CA 124.811 1.244 . . . . 10.0 111.645 -179.819 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 99' ' ' ASP . . . . . . . . . . . . . 32.2 t70 -58.75 -37.82 77.05 Favored 'General case' 0 CA--C 1.544 0.735 0 C-N-CA 124.852 1.261 . . . . 10.0 113.194 -179.899 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 100' ' ' PHE . . . . . . . . . . . . . 12.5 p90 -69.28 -12.53 61.75 Favored 'General case' 0 CA--C 1.545 0.776 0 N-CA-C 115.337 1.606 . . . . 10.0 115.337 -179.364 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 101' ' ' TRP . . . . . 0.471 ' CZ3' ' HA ' ' A' ' 97' ' ' HIS . 40.5 m0 -60.49 141.28 56.68 Favored 'General case' 0 N--CA 1.474 0.738 0 CA-C-N 119.901 1.228 . . . . 10.0 113.543 -179.093 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 102' ' ' LEU . . . . . . . . . . . . . 2.6 pt? -146.45 177.08 9.31 Favored 'General case' 0 CA--C 1.544 0.749 0 C-N-CA 127.474 2.309 . . . . 10.0 112.008 -169.932 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 10.9 pt-20 -63.92 161.91 14.79 Favored 'General case' 0 CA--C 1.548 0.866 0 N-CA-C 114.13 1.159 . . . . 10.0 114.13 177.641 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 104' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -61.37 153.48 26.67 Favored 'General case' 0 N--CA 1.477 0.92 0 C-N-CA 124.578 1.151 . . . . 10.0 113.888 179.293 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 105' ' ' GLY . . . . . . . . . . . . . . . -75.15 134.98 17.91 Favored Glycine 0 CA--C 1.535 1.314 0 C-N-CA 124.28 0.943 . . . . 10.0 112.029 173.331 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 106' ' ' ALA . . . . . . . . . . . . . . . -149.39 161.68 41.59 Favored 'General case' 0 CA--C 1.546 0.806 0 C-N-CA 125.307 1.443 . . . . 10.0 112.365 -179.658 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 107' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.253 1.264 0 C-N-CA 126.647 1.979 . . . . 10.0 112.137 179.929 . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' 1' ' ' ARG . . . . . . . . . . . . . 13.3 ptm180 . . . . . 0 N--CA 1.491 1.582 0 CA-C-O 120.557 0.218 . . . . 10.0 111.483 . . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' 2' ' ' VAL . . . . . . . . . . . . . 88.3 t -71.25 107.61 2.47 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.886 0 C-N-CA 124.334 1.053 . . . . 10.0 109.319 169.788 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -60.52 -33.61 72.88 Favored 'General case' 0 CA--C 1.543 0.687 0 C-N-CA 124.559 1.143 . . . . 10.0 113.179 -179.599 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 44.2 mt-10 -62.54 -14.44 42.05 Favored 'General case' 0 N--CA 1.475 0.796 0 C-N-CA 125.257 1.423 . . . . 10.0 113.838 174.311 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 5' ' ' ASN . . . . . . . . . . . . . 14.4 t-20 -130.37 59.4 1.65 Allowed 'General case' 0 CA--C 1.546 0.823 0 C-N-CA 126.418 1.887 . . . . 10.0 110.428 173.7 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 33.7 ptt180 -84.67 153.19 61.02 Favored Pre-proline 0 N--CA 1.475 0.81 0 C-N-CA 126.187 1.795 . . . . 10.0 111.819 169.794 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 7' ' ' PRO . . . . . . . . . . . . . 54.6 Cg_exo -51.43 121.04 7.77 Favored 'Trans proline' 0 CA--C 1.537 0.661 0 C-N-CA 123.461 2.774 . . . . 10.0 112.107 174.653 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . 115.34 -19.95 14.34 Favored Glycine 0 CA--C 1.537 1.434 0 C-N-CA 126.392 1.948 . . . . 10.0 114.216 -173.749 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -56.12 130.42 44.08 Favored 'General case' 0 CA--C 1.549 0.93 0 CA-C-N 119.432 1.616 . . . . 10.0 113.753 -171.322 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 10' ' ' PHE . . . . . . . . . . . . . 14.0 m-30 -57.78 145.44 34.85 Favored 'General case' 0 CA--C 1.542 0.657 0 C-N-CA 125.424 1.489 . . . . 10.0 113.085 173.844 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 53.4 mt -125.43 108.41 19.71 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.48 0 C-N-CA 125.06 1.344 . . . . 10.0 107.432 169.697 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 79.0 mttt -107.9 84.34 1.94 Allowed 'General case' 0 N--CA 1.471 0.622 0 C-N-CA 126.162 1.785 . . . . 10.0 110.417 -179.398 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 34.1 mt-30 -76.35 -35.33 58.77 Favored 'General case' 0 CA--C 1.541 0.599 0 C-N-CA 125.331 1.452 . . . . 10.0 110.508 169.717 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . 97.34 16.16 35.7 Favored Glycine 0 CA--C 1.535 1.316 0 C-N-CA 126.029 1.776 . . . . 10.0 113.122 -175.54 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 12.9 ttp180 -69.61 114.14 7.55 Favored 'General case' 0 N--CA 1.469 0.518 0 C-N-CA 127.609 2.364 . . . . 10.0 110.46 178.463 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 77.1 tttt -75.22 106.23 6.64 Favored 'General case' 0 N--CA 1.473 0.721 0 C-N-CA 125.236 1.414 . . . . 10.0 110.713 178.734 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 71.4 mt -79.77 179.66 7.41 Favored 'General case' 0 CA--C 1.546 0.8 0 C-N-CA 125.507 1.523 . . . . 10.0 112.221 -179.6 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 20.7 t70 -131.78 102.33 5.83 Favored 'General case' 0 CA--C 1.541 0.619 0 C-N-CA 125.695 1.598 . . . . 10.0 110.392 174.189 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . 95.4 mt -136.31 129.11 46.07 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.695 0 C-N-CA 127.159 2.183 . . . . 10.0 107.983 -175.542 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 24.3 t0 -87.31 84.1 7.26 Favored 'General case' 0 CA--C 1.54 0.567 0 CA-C-O 121.953 0.882 . . . . 10.0 110.828 172.737 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 21' ' ' PHE . . . . . . . . . . . . . 83.1 m-85 -62.61 -44.16 97.0 Favored 'General case' 0 CA--C 1.539 0.557 0 C-N-CA 126.786 2.035 . . . . 10.0 111.524 169.995 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 133.55 158.6 8.74 Favored Glycine 0 CA--C 1.533 1.213 0 C-N-CA 128.142 2.782 . . . . 10.0 110.185 -169.686 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -41.82 -53.93 3.55 Favored 'General case' 0 CA--C 1.547 0.852 0 N-CA-C 116.078 1.881 . . . . 10.0 116.078 -169.659 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 39.4 tt0 -66.28 -48.14 71.37 Favored 'General case' 0 N--CA 1.473 0.703 0 C-N-CA 125.086 1.354 . . . . 10.0 112.416 178.177 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -64.65 -40.28 97.39 Favored Glycine 0 CA--C 1.534 1.219 0 C-N-CA 124.958 1.266 . . . . 10.0 114.084 179.689 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 81.1 m-20 -55.09 -50.78 68.32 Favored 'General case' 0 CA--C 1.534 0.333 0 C-N-CA 126.468 1.907 . . . . 10.0 110.292 172.91 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 74.0 mtt85 -60.2 -46.08 90.95 Favored 'General case' 0 N--CA 1.475 0.808 0 C-N-CA 124.496 1.118 . . . . 10.0 111.701 176.656 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 28' ' ' TYR . . . . . . . . . . . . . 68.4 t80 -57.93 -54.65 44.57 Favored 'General case' 0 CA--C 1.537 0.452 0 C-N-CA 123.812 0.845 . . . . 10.0 112.322 176.636 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 29' ' ' TYR . . . . . . . . . . . . . 74.8 t80 -56.88 -51.36 69.36 Favored 'General case' 0 N--CA 1.468 0.438 0 C-N-CA 123.867 0.867 . . . . 10.0 112.097 176.467 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -51.23 -32.94 25.8 Favored 'General case' 0 CA--C 1.546 0.809 0 N-CA-C 114.007 1.114 . . . . 10.0 114.007 178.571 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -89.28 -28.57 19.8 Favored 'General case' 0 CA--C 1.551 1.019 0 C-N-CA 125.637 1.575 . . . . 10.0 114.962 175.914 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 32' ' ' ASN . . . . . . . . . . . . . 55.8 m-80 -122.53 7.64 9.52 Favored 'General case' 0 CA--C 1.547 0.859 0 N-CA-C 116.371 1.989 . . . . 10.0 116.371 -169.153 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 33' ' ' TYR . . . . . . . . . . . . . 47.5 p90 -43.87 -38.57 3.41 Favored 'General case' 0 N--CA 1.477 0.891 0 C-N-CA 127.548 2.339 . . . . 10.0 114.959 -178.006 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 34' ' ' TRP . . . . . . . . . . . . . 63.5 p-90 -49.95 -33.39 17.46 Favored 'General case' 0 CA--C 1.545 0.76 0 C-N-CA 126.528 1.931 . . . . 10.0 114.436 175.479 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 29.7 mt-30 -70.42 -32.02 69.46 Favored 'General case' 0 N--CA 1.471 0.62 0 C-N-CA 124.587 1.155 . . . . 10.0 113.956 176.69 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 36' ' ' PHE . . . . . . . . . . . . . 50.9 m-85 -78.13 150.31 77.43 Favored Pre-proline 0 CA--C 1.543 0.706 0 C-N-CA 125.171 1.388 . . . . 10.0 113.489 -169.556 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 83.2 Cg_endo -74.56 96.56 0.99 Allowed 'Trans proline' 0 CA--C 1.537 0.631 0 C-N-CA 123.661 2.907 . . . . 10.0 109.785 169.617 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 3.8 p30 -66.53 -25.24 66.58 Favored 'General case' 0 N--CA 1.474 0.75 0 O-C-N 120.963 -1.086 . . . . 10.0 112.401 178.642 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . -124.4 162.02 18.67 Favored Glycine 0 CA--C 1.537 1.408 0 C-N-CA 125.911 1.72 . . . . 10.0 110.717 168.904 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 40' ' ' ILE . . . . . . . . . . . . . 96.9 mt -135.96 124.14 36.72 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.712 0 C-N-CA 124.691 1.196 . . . . 10.0 108.74 175.173 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 41' ' ' TYR . . . . . . . . . . . . . 72.5 t80 -76.64 120.78 22.3 Favored 'General case' 0 CA--C 1.534 0.341 0 C-N-CA 124.379 1.071 . . . . 10.0 109.486 169.876 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 42' ' ' TYR . . . . . . . . . . . . . 49.6 t80 -151.54 151.62 31.83 Favored 'General case' 0 CA--C 1.541 0.602 0 O-C-N 121.418 -0.802 . . . . 10.0 111.901 177.147 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 48.1 mt-10 -130.16 96.61 4.22 Favored 'General case' 0 CA--C 1.538 0.494 0 C-N-CA 126.379 1.872 . . . . 10.0 109.717 -178.584 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . -113.94 -71.12 0.54 Allowed Glycine 0 CA--C 1.531 1.041 0 C-N-CA 125.56 1.552 . . . . 10.0 113.169 -174.281 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 45' ' ' CYS . . . . . . . . . . . . . 29.5 m -58.69 137.05 57.81 Favored 'General case' 0 CA--C 1.541 0.617 0 C-N-CA 125.463 1.505 . . . . 10.0 113.858 -178.698 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 49.4 p -145.91 -50.81 0.23 Allowed 'General case' 0 N--CA 1.472 0.661 0 C-N-CA 126.699 2.0 . . . . 10.0 111.417 179.61 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 11.5 pt-20 -138.54 161.2 37.67 Favored 'General case' 0 CA--C 1.541 0.605 0 C-N-CA 126.884 2.074 . . . . 10.0 112.352 178.643 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -52.48 -26.62 13.41 Favored 'General case' 0 CA--C 1.545 0.779 0 C-N-CA 126.484 1.914 . . . . 10.0 115.726 -174.614 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 71.0 m-20 -61.14 -31.03 70.75 Favored 'General case' 0 CA--C 1.545 0.758 0 C-N-CA 124.42 1.088 . . . . 10.0 113.32 174.478 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . 58.2 t -70.07 108.41 2.2 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.831 0 C-N-CA 124.434 1.094 . . . . 10.0 109.735 172.895 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 54.9 p -85.48 173.37 10.28 Favored 'General case' 0 N--CA 1.477 0.875 0 C-N-CA 124.186 0.994 . . . . 10.0 112.229 179.325 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 83.1 tttt -62.6 -49.02 76.89 Favored 'General case' 0 N--CA 1.471 0.584 0 O-C-N 121.403 -0.811 . . . . 10.0 110.954 169.742 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 2.3 mp0 -49.83 -48.35 50.99 Favored 'General case' 0 N--CA 1.471 0.584 0 C-N-CA 124.923 1.289 . . . . 10.0 112.212 174.975 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 54' ' ' MET . . . . . . . . . . . . . 92.9 mtp -55.1 -58.15 8.85 Favored 'General case' 0 N--CA 1.468 0.437 0 C-N-CA 124.409 1.084 . . . . 10.0 111.927 170.224 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 7.8 tt -53.73 -54.68 34.63 Favored 'General case' 0 CA--C 1.536 0.405 0 C-N-CA 124.185 0.994 . . . . 10.0 113.046 -178.544 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 47.8 t -58.95 -49.92 81.44 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.877 0 C-N-CA 124.155 0.982 . . . . 10.0 111.002 -175.017 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 57' ' ' THR . . . . . . . . . . . . . 31.0 m -60.67 -49.83 75.95 Favored 'General case' 0 N--CA 1.476 0.831 0 C-N-CA 124.488 1.115 . . . . 10.0 111.808 176.239 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 49.3 m -62.51 -37.92 87.94 Favored 'General case' 0 N--CA 1.472 0.638 0 C-N-CA 124.065 0.946 . . . . 10.0 112.651 179.512 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 59' ' ' CYS . . . . . . . . . . . . . 35.1 t -58.5 -49.27 77.98 Favored 'General case' 0 CA--C 1.537 0.475 0 C-N-CA 126.023 1.729 . . . . 10.0 112.452 173.332 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 60' ' ' VAL . . . . . . . . . . . . . 54.8 t -54.89 -51.14 55.85 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.062 0 C-N-CA 124.032 0.933 . . . . 10.0 111.342 171.664 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 61' ' ' ASN . . . . . . . . . . . . . 20.8 m-80 -58.11 -45.34 87.43 Favored 'General case' 0 CA--C 1.545 0.774 0 C-N-CA 124.547 1.139 . . . . 10.0 113.058 176.938 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -61.95 -47.37 85.18 Favored 'General case' 0 CA--C 1.535 0.398 0 C-N-CA 124.4 1.08 . . . . 10.0 111.297 175.914 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 63' ' ' THR . . . . . . . . . . . . . 33.4 m -53.12 -52.05 59.94 Favored 'General case' 0 N--CA 1.472 0.653 0 C-N-CA 125.057 1.343 . . . . 10.0 111.357 175.219 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 64' ' ' GLN . . . . . . . . . . . . . 79.3 mt-30 -49.5 -59.31 3.87 Favored 'General case' 0 N--CA 1.47 0.563 0 C-N-CA 125.253 1.421 . . . . 10.0 112.21 173.242 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -56.42 -43.22 79.16 Favored 'General case' 0 CA--C 1.544 0.743 0 C-N-CA 125.311 1.444 . . . . 10.0 113.554 179.717 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -71.96 -33.42 68.16 Favored 'General case' 0 CA--C 1.543 0.685 0 N-CA-C 114.634 1.346 . . . . 10.0 114.634 -177.07 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 67' ' ' ASN . . . . . . . . . . . . . 9.6 m-80 -122.55 40.18 3.74 Favored 'General case' 0 CA--C 1.547 0.863 0 CA-C-N 119.299 0.954 . . . . 10.0 112.737 -170.335 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 68' ' ' GLN . . . . . . . . . . . . . 65.9 mt-30 -53.91 -45.07 71.05 Favored 'General case' 0 N--CA 1.475 0.795 0 C-N-CA 125.572 1.549 . . . . 10.0 113.338 -177.949 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -54.94 -43.57 73.52 Favored 'General case' 0 CA--C 1.544 0.73 0 C-N-CA 125.363 1.465 . . . . 10.0 113.43 179.462 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 10.0 mm-40 -65.44 -53.62 40.28 Favored 'General case' 0 N--CA 1.47 0.567 0 C-N-CA 125.636 1.575 . . . . 10.0 111.37 176.669 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 71' ' ' PHE . . . . . . . . . . . . . 37.6 m-85 -61.25 -31.45 71.25 Favored 'General case' 0 N--CA 1.469 0.502 0 N-CA-C 113.669 0.988 . . . . 10.0 113.669 178.25 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 69.6 m -62.18 -55.51 27.88 Favored 'General case' 0 N--CA 1.471 0.596 0 C-N-CA 124.004 0.922 . . . . 10.0 112.16 175.417 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 73' ' ' ARG . . . . . . . . . . . . . 20.2 ptp180 -70.25 -50.7 37.01 Favored 'General case' 0 N--CA 1.476 0.832 0 C-N-CA 124.05 0.94 . . . . 10.0 113.437 -177.815 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 69.5 mm-40 -81.33 52.35 1.82 Allowed 'General case' 0 N--CA 1.477 0.91 0 C-N-CA 125.311 1.444 . . . . 10.0 112.236 -179.741 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 41.0 ttmt -142.37 -53.68 0.42 Allowed 'General case' 0 N--CA 1.477 0.923 0 C-N-CA 125.841 1.656 . . . . 10.0 113.288 176.623 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 76' ' ' GLN . . . . . . . . . . . . . 17.7 mm100 -43.93 -45.48 7.69 Favored 'General case' 0 N--CA 1.474 0.768 0 C-N-CA 126.992 2.117 . . . . 10.0 114.533 -169.832 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 26.4 t0 -135.76 50.07 2.12 Favored 'General case' 0 CA--C 1.544 0.747 0 C-N-CA 124.889 1.276 . . . . 10.0 110.36 169.911 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 5.6 m -143.84 37.17 1.3 Allowed 'General case' 0 N--CA 1.477 0.886 0 C-N-CA 125.209 1.404 . . . . 10.0 112.43 -169.907 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 14.5 mmmm -58.97 -45.38 90.69 Favored 'General case' 0 N--CA 1.478 0.969 0 C-N-CA 124.863 1.265 . . . . 10.0 112.941 -175.119 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 44.6 tp -55.72 -46.88 77.64 Favored 'General case' 0 N--CA 1.472 0.632 0 C-N-CA 124.378 1.071 . . . . 10.0 111.85 171.365 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 81' ' ' HIS . . . . . . . . . . . . . 10.0 t-160 -56.63 -54.83 41.5 Favored 'General case' 0 N--CA 1.47 0.53 0 CA-C-O 118.164 -0.922 . . . . 10.0 110.996 174.164 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 82' ' ' GLN . . . . . . . . . . . . . 75.0 mm-40 -48.53 -55.66 10.47 Favored 'General case' 0 N--CA 1.476 0.827 0 C-N-CA 124.603 1.161 . . . . 10.0 112.655 176.348 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 83' ' ' ARG . . . . . . . . . . . . . 48.2 mtp180 -47.82 -57.99 4.93 Favored 'General case' 0 N--CA 1.48 1.064 0 C-N-CA 125.468 1.507 . . . . 10.0 112.548 178.295 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 84' ' ' VAL . . . . . . . . . . . . . 46.9 t -62.87 -50.12 80.94 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.8 0 C-N-CA 125.625 1.57 . . . . 10.0 111.019 179.193 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 85' ' ' LEU . . . . . . . . . . . . . 47.5 tp -55.09 -47.02 75.49 Favored 'General case' 0 N--CA 1.469 0.514 0 C-N-CA 126.541 1.936 . . . . 10.0 112.65 179.652 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 86' ' ' TRP . . . . . . . . . . . . . 63.0 m95 -62.43 -45.9 91.01 Favored 'General case' 0 N--CA 1.465 0.301 0 N-CA-C 113.66 0.985 . . . . 10.0 113.66 175.471 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 87' ' ' ARG . . . . . . . . . . . . . 13.9 tpt180 -55.77 -50.9 69.2 Favored 'General case' 0 N--CA 1.473 0.721 0 CA-C-N 119.062 0.846 . . . . 10.0 111.489 171.212 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 88' ' ' LEU . . . . . . . . . . . . . 1.7 tm? -52.52 -53.31 47.77 Favored 'General case' 0 CA--C 1.545 0.769 0 C-N-CA 125.982 1.713 . . . . 10.0 112.027 175.314 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 89' ' ' ILE . . . . . . . . . . . . . 70.7 mt -54.93 -53.91 28.86 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.835 0 C-N-CA 124.355 1.062 . . . . 10.0 111.059 175.237 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 94.2 mttt -57.95 -43.5 86.41 Favored 'General case' 0 N--CA 1.472 0.627 0 C-N-CA 124.525 1.13 . . . . 10.0 112.836 178.322 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 8.7 tp10 -54.65 -51.45 65.39 Favored 'General case' 0 CA--C 1.543 0.704 0 C-N-CA 125.502 1.521 . . . . 10.0 111.465 173.309 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 92' ' ' ILE . . . . . . . . . . . . . 96.5 mt -57.58 -52.55 55.85 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.932 0 C-N-CA 124.814 1.246 . . . . 10.0 111.551 174.049 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 93' ' ' CYS . . . . . . . . . . . . . 91.1 m -56.07 -43.36 77.9 Favored 'General case' 0 CA--C 1.547 0.843 0 C-N-CA 124.195 0.998 . . . . 10.0 112.363 177.625 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 53.6 m -65.89 -40.39 91.53 Favored 'General case' 0 N--CA 1.477 0.892 0 C-N-CA 126.445 1.898 . . . . 10.0 113.657 176.662 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . -62.03 -53.33 57.08 Favored 'General case' 0 CA--C 1.543 0.683 0 C-N-CA 125.008 1.323 . . . . 10.0 113.063 -176.256 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 96' ' ' LYS . . . . . . . . . . . . . 18.9 ptpt -61.31 132.99 55.36 Favored 'General case' 0 N--CA 1.476 0.845 0 C-N-CA 124.587 1.155 . . . . 10.0 112.81 -178.637 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 97' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -133.13 153.69 51.29 Favored 'General case' 0 N--CA 1.47 0.551 0 C-N-CA 126.446 1.898 . . . . 10.0 114.083 -172.648 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 98' ' ' CYS . . . . . . . . . . . . . 56.2 m -111.11 129.83 55.81 Favored 'General case' 0 N--CA 1.47 0.564 0 C-N-CA 124.764 1.225 . . . . 10.0 112.029 -174.532 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 99' ' ' ASP . . . . . . . . . . . . . 5.9 p-10 -61.03 -31.4 71.04 Favored 'General case' 0 CA--C 1.543 0.674 0 C-N-CA 125.167 1.387 . . . . 10.0 114.703 -172.648 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 100' ' ' PHE . . . . . . . . . . . . . 7.1 p90 -73.6 -14.87 61.26 Favored 'General case' 0 CA--C 1.543 0.701 0 N-CA-C 114.804 1.409 . . . . 10.0 114.804 179.8 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 101' ' ' TRP . . . . . . . . . . . . . 43.5 m0 -58.92 139.8 56.19 Favored 'General case' 0 N--CA 1.472 0.654 0 CA-C-N 119.652 1.115 . . . . 10.0 112.861 -179.982 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 102' ' ' LEU . . . . . . . . . . . . . 2.7 pt? -145.28 168.88 19.39 Favored 'General case' 0 CA--C 1.542 0.637 0 C-N-CA 126.8 2.04 . . . . 10.0 112.299 -169.921 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 8.8 tp10 -145.04 155.46 43.37 Favored 'General case' 0 CA--C 1.544 0.744 0 C-N-CA 125.825 1.65 . . . . 10.0 111.128 -179.304 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 104' ' ' ARG . . . . . . . . . . . . . 64.5 mtm180 -54.3 -38.48 65.96 Favored 'General case' 0 N--CA 1.48 1.036 0 C-N-CA 127.221 2.208 . . . . 10.0 113.401 178.566 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 105' ' ' GLY . . . . . . . . . . . . . . . -156.68 -154.27 6.96 Favored Glycine 0 CA--C 1.535 1.282 0 C-N-CA 126.11 1.814 . . . . 10.0 112.657 177.789 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 106' ' ' ALA . . . . . . . . . . . . . . . -142.57 160.92 39.35 Favored 'General case' 0 CA--C 1.545 0.758 0 C-N-CA 125.538 1.535 . . . . 10.0 112.233 179.65 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 107' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.253 1.263 0 C-N-CA 126.687 1.995 . . . . 10.0 112.036 -179.866 . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' 1' ' ' ARG . . . . . . . . . . . . . 9.6 ptp180 . . . . . 0 N--CA 1.49 1.562 0 N-CA-C 111.446 0.165 . . . . 10.0 111.446 . . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' 2' ' ' VAL . . . . . . . . . . . . . 8.5 p -77.52 132.74 32.07 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.959 0 C-N-CA 124.113 0.965 . . . . 10.0 111.003 172.023 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -60.38 -36.15 77.41 Favored 'General case' 0 CA--C 1.544 0.734 0 C-N-CA 124.429 1.092 . . . . 10.0 113.219 -179.935 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 43.3 mt-10 -57.83 -22.63 48.73 Favored 'General case' 0 N--CA 1.474 0.736 0 C-N-CA 125.988 1.715 . . . . 10.0 114.588 179.868 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 5' ' ' ASN . . . . . . . . . . . . . 55.1 t30 -137.31 59.91 1.66 Allowed 'General case' 0 CA--C 1.544 0.744 0 C-N-CA 125.44 1.496 . . . . 10.0 111.561 176.273 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 7.8 ptm180 -72.7 155.67 90.67 Favored Pre-proline 0 N--CA 1.477 0.883 0 C-N-CA 124.144 0.978 . . . . 10.0 112.464 169.848 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 7' ' ' PRO . . . . . . . . . . . . . 67.1 Cg_exo -51.62 128.16 25.15 Favored 'Trans proline' 0 C--N 1.35 0.648 0 C-N-CA 123.584 2.856 . . . . 10.0 112.276 171.153 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . 106.77 -13.45 42.01 Favored Glycine 0 CA--C 1.535 1.315 0 C-N-CA 126.081 1.8 . . . . 10.0 114.143 -173.228 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -61.92 130.08 43.94 Favored 'General case' 0 CA--C 1.545 0.759 0 CA-C-N 119.39 1.595 . . . . 10.0 112.569 -176.171 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 10' ' ' PHE . . . . . . . . . . . . . 21.1 m-85 -61.28 149.3 38.34 Favored 'General case' 0 CA--C 1.541 0.602 0 C-N-CA 124.065 0.946 . . . . 10.0 112.587 174.238 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 76.7 mt -121.54 117.31 52.22 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.476 0 C-N-CA 125.735 1.614 . . . . 10.0 107.208 169.77 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 91.8 mttt -120.2 79.23 1.44 Allowed 'General case' 0 N--CA 1.471 0.59 0 C-N-CA 125.996 1.718 . . . . 10.0 109.74 -175.676 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 42.0 mt-30 -73.77 -36.72 65.12 Favored 'General case' 0 CA--C 1.539 0.536 0 C-N-CA 126.177 1.791 . . . . 10.0 110.854 171.687 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . 96.72 64.12 0.92 Allowed Glycine 0 CA--C 1.528 0.873 0 C-N-CA 125.423 1.487 . . . . 10.0 110.492 -178.317 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 15.7 ttp180 -132.33 106.57 7.99 Favored 'General case' 0 N--CA 1.469 0.496 0 C-N-CA 127.049 2.14 . . . . 10.0 110.142 -169.545 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 41.1 tttm -65.94 130.31 42.81 Favored 'General case' 0 N--CA 1.474 0.731 0 C-N-CA 123.865 0.866 . . . . 10.0 110.766 176.412 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 66.8 mt -96.89 -179.98 4.75 Favored 'General case' 0 CA--C 1.545 0.755 0 C-N-CA 126.581 1.952 . . . . 10.0 111.892 176.982 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 19.4 t0 -130.26 94.52 3.7 Favored 'General case' 0 CA--C 1.541 0.612 0 C-N-CA 125.863 1.665 . . . . 10.0 109.944 174.666 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . 94.3 mt -135.04 127.75 48.59 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.699 0 C-N-CA 126.915 2.086 . . . . 10.0 108.134 -173.321 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 23.6 t0 -86.58 84.71 7.35 Favored 'General case' 0 CA--C 1.539 0.54 0 CA-C-O 121.906 0.86 . . . . 10.0 110.542 171.712 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 21' ' ' PHE . . . . . . . . . . . . . 74.9 m-85 -62.81 -43.26 99.28 Favored 'General case' 0 CA--C 1.54 0.596 0 C-N-CA 126.794 2.038 . . . . 10.0 111.565 170.704 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 136.0 151.66 6.18 Favored Glycine 0 CA--C 1.533 1.186 0 C-N-CA 128.184 2.802 . . . . 10.0 109.685 -169.754 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -39.72 -58.31 1.36 Allowed 'General case' 0 CA--C 1.547 0.834 0 N-CA-C 115.785 1.772 . . . . 10.0 115.785 -169.46 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 33.7 tt0 -65.33 -43.27 91.5 Favored 'General case' 0 CA--C 1.546 0.79 0 C-N-CA 124.145 0.978 . . . . 10.0 112.718 -179.727 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -65.9 -39.14 94.85 Favored Glycine 0 CA--C 1.535 1.286 0 C-N-CA 124.823 1.202 . . . . 10.0 114.023 176.325 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 83.2 m-20 -56.79 -49.44 75.33 Favored 'General case' 0 CA--C 1.536 0.432 0 C-N-CA 125.842 1.657 . . . . 10.0 110.422 173.343 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 71.8 mtp85 -59.97 -45.95 91.03 Favored 'General case' 0 N--CA 1.473 0.719 0 C-N-CA 125.054 1.342 . . . . 10.0 111.468 176.592 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 28' ' ' TYR . . . . . . . . . . . . . 82.8 t80 -58.71 -53.87 53.53 Favored 'General case' 0 CA--C 1.537 0.449 0 C-N-CA 124.194 0.998 . . . . 10.0 112.008 176.459 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 29' ' ' TYR . . . . . . . . . . . . . 80.2 t80 -55.96 -52.87 62.63 Favored 'General case' 0 CA--C 1.537 0.45 0 C-N-CA 124.325 1.05 . . . . 10.0 112.484 176.684 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -49.84 -38.26 34.35 Favored 'General case' 0 CA--C 1.546 0.826 0 C-N-CA 124.232 1.013 . . . . 10.0 113.702 177.577 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -84.41 -23.26 30.11 Favored 'General case' 0 CA--C 1.551 0.985 0 N-CA-C 115.279 1.585 . . . . 10.0 115.279 176.759 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 32' ' ' ASN . . . . . . . . . . . . . 58.0 m-80 -128.48 10.03 6.12 Favored 'General case' 0 CA--C 1.548 0.883 0 N-CA-C 116.692 2.108 . . . . 10.0 116.692 -169.189 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 33' ' ' TYR . . . . . . . . . . . . . 43.4 p90 -51.33 -29.35 14.89 Favored 'General case' 0 N--CA 1.477 0.909 0 N-CA-C 115.15 1.537 . . . . 10.0 115.15 -175.648 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 34' ' ' TRP . . . . . . . . . . . . . 65.7 p-90 -50.93 -34.23 27.7 Favored 'General case' 0 CA--C 1.545 0.767 0 C-N-CA 125.85 1.66 . . . . 10.0 114.168 173.422 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 30.7 mt-30 -69.5 -39.09 77.8 Favored 'General case' 0 N--CA 1.472 0.65 0 C-N-CA 124.851 1.261 . . . . 10.0 113.672 176.34 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 36' ' ' PHE . . . . . . . . . . . . . 63.1 m-85 -73.57 154.32 89.63 Favored Pre-proline 0 CA--C 1.545 0.765 0 C-N-CA 126.305 1.842 . . . . 10.0 114.904 -169.178 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 94.3 Cg_endo -74.24 121.04 6.57 Favored 'Trans proline' 0 CA--C 1.537 0.652 0 C-N-CA 123.827 3.018 . . . . 10.0 109.494 169.171 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 3.6 p30 -87.42 -23.53 24.48 Favored 'General case' 0 CA--C 1.545 0.783 0 O-C-N 121.426 -0.796 . . . . 10.0 112.205 173.284 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . -131.36 167.11 22.64 Favored Glycine 0 CA--C 1.539 1.558 0 C-N-CA 126.365 1.936 . . . . 10.0 111.635 168.948 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 40' ' ' ILE . . . . . . . . . . . . . 96.8 mt -139.69 125.56 22.03 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.953 0 C-N-CA 125.079 1.351 . . . . 10.0 109.081 174.381 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 41' ' ' TYR . . . . . . . . . . . . . 86.7 t80 -75.48 117.6 17.45 Favored 'General case' 0 CA--C 1.537 0.455 0 C-N-CA 124.72 1.208 . . . . 10.0 110.279 169.968 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 42' ' ' TYR . . . . . . . . . . . . . 62.5 t80 -153.63 152.73 31.19 Favored 'General case' 0 CA--C 1.541 0.612 0 C-N-CA 124.263 1.025 . . . . 10.0 111.697 178.596 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 51.0 mt-10 -130.17 99.42 5.05 Favored 'General case' 0 N--CA 1.47 0.532 0 C-N-CA 125.879 1.672 . . . . 10.0 110.523 -179.441 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . -107.43 -49.99 0.83 Allowed Glycine 0 CA--C 1.532 1.13 0 C-N-CA 125.412 1.482 . . . . 10.0 114.313 -174.791 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 45' ' ' CYS . . . . . . . . . . . . . 65.2 m -59.51 127.05 30.1 Favored 'General case' 0 CA--C 1.544 0.747 0 C-N-CA 125.691 1.597 . . . . 10.0 113.246 -174.983 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 65.7 p -139.06 -58.61 0.6 Allowed 'General case' 0 N--CA 1.474 0.762 0 C-N-CA 125.834 1.654 . . . . 10.0 112.15 174.867 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 12.1 pt-20 -144.24 158.82 43.52 Favored 'General case' 0 N--CA 1.472 0.639 0 C-N-CA 125.933 1.693 . . . . 10.0 113.02 179.509 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -57.19 -21.06 30.56 Favored 'General case' 0 CA--C 1.545 0.773 0 N-CA-C 115.702 1.742 . . . . 10.0 115.702 -175.243 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 76.1 m-20 -65.61 -26.77 67.98 Favored 'General case' 0 CA--C 1.545 0.78 0 C-N-CA 124.244 1.018 . . . . 10.0 113.382 172.571 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . 67.8 t -63.63 115.05 2.2 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.85 0 C-N-CA 124.472 1.109 . . . . 10.0 109.348 170.554 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 39.6 p -86.41 172.57 10.28 Favored 'General case' 0 N--CA 1.475 0.787 0 C-N-CA 123.608 0.763 . . . . 10.0 111.983 177.383 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 40.8 tttp -60.61 -50.22 74.41 Favored 'General case' 0 N--CA 1.473 0.697 0 O-C-N 121.41 -0.806 . . . . 10.0 111.245 169.984 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 44.7 mt-10 -51.07 -49.08 61.33 Favored 'General case' 0 N--CA 1.471 0.597 0 C-N-CA 124.504 1.121 . . . . 10.0 111.803 176.011 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 54' ' ' MET . . . . . . . . . . . . . 94.5 mtp -54.25 -57.32 11.64 Favored 'General case' 0 N--CA 1.468 0.444 0 C-N-CA 124.193 0.997 . . . . 10.0 112.186 171.552 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 8.0 tt -61.69 -52.95 62.2 Favored 'General case' 0 CA--C 1.536 0.426 0 C-N-CA 123.553 0.741 . . . . 10.0 112.731 -173.424 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 62.5 t -57.32 -48.58 82.22 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.864 0 C-N-CA 124.961 1.305 . . . . 10.0 110.756 -179.869 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 57' ' ' THR . . . . . . . . . . . . . 65.9 m -59.94 -48.01 83.44 Favored 'General case' 0 N--CA 1.479 0.975 0 C-N-CA 124.346 1.058 . . . . 10.0 111.839 175.972 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 48.7 m -60.66 -39.56 88.8 Favored 'General case' 0 N--CA 1.472 0.635 0 C-N-CA 124.154 0.982 . . . . 10.0 112.522 177.395 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 59' ' ' CYS . . . . . . . . . . . . . 33.7 t -58.29 -49.4 77.26 Favored 'General case' 0 CA--C 1.54 0.561 0 C-N-CA 125.351 1.46 . . . . 10.0 112.759 171.451 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 60' ' ' VAL . . . . . . . . . . . . . 47.8 t -55.36 -48.7 76.52 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.067 0 C-N-CA 123.943 0.897 . . . . 10.0 111.501 172.092 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 61' ' ' ASN . . . . . . . . . . . . . 13.3 m-80 -59.2 -44.63 92.23 Favored 'General case' 0 CA--C 1.544 0.725 0 C-N-CA 124.547 1.139 . . . . 10.0 113.051 176.082 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -60.84 -46.51 90.28 Favored 'General case' 0 CA--C 1.537 0.445 0 C-N-CA 123.774 0.83 . . . . 10.0 111.284 174.25 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 63' ' ' THR . . . . . . . . . . . . . 27.1 m -57.53 -46.97 83.21 Favored 'General case' 0 N--CA 1.473 0.713 0 C-N-CA 124.992 1.317 . . . . 10.0 111.928 176.485 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 64' ' ' GLN . . . . . . . . . . . . . 62.1 mt-30 -50.47 -61.98 1.86 Allowed 'General case' 0 N--CA 1.468 0.451 0 C-N-CA 124.675 1.19 . . . . 10.0 111.662 169.995 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -55.14 -43.21 73.97 Favored 'General case' 0 CA--C 1.544 0.747 0 C-N-CA 125.732 1.613 . . . . 10.0 113.737 -178.471 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -66.28 -39.92 89.74 Favored 'General case' 0 CA--C 1.543 0.685 0 C-N-CA 125.449 1.5 . . . . 10.0 114.203 178.523 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 67' ' ' ASN . . . . . . . . . . . . . 12.5 m-80 -120.75 37.5 4.28 Favored 'General case' 0 N--CA 1.474 0.737 0 C-N-CA 124.206 1.002 . . . . 10.0 113.338 -169.575 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 68' ' ' GLN . . . . . . . . . . . . . 63.3 mt-30 -51.54 -53.36 38.67 Favored 'General case' 0 N--CA 1.475 0.798 0 C-N-CA 125.745 1.618 . . . . 10.0 112.417 -179.014 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -52.54 -45.78 66.5 Favored 'General case' 0 CA--C 1.54 0.582 0 C-N-CA 125.309 1.444 . . . . 10.0 112.944 178.769 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 8.2 mm-40 -57.78 -56.08 26.62 Favored 'General case' 0 N--CA 1.471 0.59 0 C-N-CA 124.45 1.1 . . . . 10.0 111.601 179.733 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 71' ' ' PHE . . . . . . . . . . . . . 29.6 m-85 -55.71 -50.1 71.23 Favored 'General case' 0 CA--C 1.539 0.54 0 C-N-CA 124.374 1.069 . . . . 10.0 112.098 176.75 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 61.9 m -56.65 -52.8 63.49 Favored 'General case' 0 N--CA 1.474 0.725 0 C-N-CA 124.857 1.263 . . . . 10.0 113.519 177.175 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 73' ' ' ARG . . . . . . . . . . . . . 64.4 mtm180 -60.03 -55.5 33.23 Favored 'General case' 0 N--CA 1.476 0.864 0 C-N-CA 124.754 1.221 . . . . 10.0 112.537 179.485 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 52.0 mm-40 -55.05 -68.45 0.19 Allowed 'General case' 0 CA--C 1.541 0.603 0 C-N-CA 125.011 1.324 . . . . 10.0 112.793 -178.5 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 88.0 tttt -33.11 -45.93 0.15 Allowed 'General case' 0 N--CA 1.481 1.081 0 C-N-CA 129.054 2.942 . . . . 10.0 116.096 -171.317 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 76' ' ' GLN . . . . . . . . . . . . . 20.0 mm100 -46.7 -49.38 19.5 Favored 'General case' 0 CA--C 1.542 0.661 0 C-N-CA 125.734 1.613 . . . . 10.0 113.025 178.129 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 32.7 t70 -104.59 -50.8 3.22 Favored 'General case' 0 N--CA 1.471 0.624 0 C-N-CA 125.447 1.499 . . . . 10.0 111.608 176.982 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 56.3 m -75.23 65.65 1.61 Allowed 'General case' 0 CA--C 1.54 0.568 0 C-N-CA 127.552 2.341 . . . . 10.0 112.018 176.328 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 64.0 mttp -66.24 -59.92 3.28 Favored 'General case' 0 N--CA 1.475 0.821 0 C-N-CA 126.519 1.927 . . . . 10.0 112.148 178.658 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 62.9 tp -53.16 -42.06 65.77 Favored 'General case' 0 N--CA 1.476 0.834 0 C-N-CA 125.091 1.356 . . . . 10.0 112.006 176.238 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 81' ' ' HIS . . . . . . . . . . . . . 13.6 t-160 -46.58 -48.17 19.64 Favored 'General case' 0 N--CA 1.468 0.454 0 C-N-CA 124.798 1.239 . . . . 10.0 111.839 179.632 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 82' ' ' GLN . . . . . . . . . . . . . 70.2 mm-40 -52.35 -52.09 55.25 Favored 'General case' 0 N--CA 1.47 0.564 0 C-N-CA 124.355 1.062 . . . . 10.0 112.825 -177.72 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 83' ' ' ARG . . . . . . . . . . . . . 16.4 mmp_? -55.03 -53.46 55.5 Favored 'General case' 0 N--CA 1.478 0.951 0 C-N-CA 124.799 1.239 . . . . 10.0 111.836 -179.991 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 84' ' ' VAL . . . . . . . . . . . . . 18.3 t -59.8 -53.49 47.78 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.769 0 C-N-CA 126.217 1.807 . . . . 10.0 110.722 177.813 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 85' ' ' LEU . . . . . . . . . . . . . 48.4 tp -55.73 -50.5 70.18 Favored 'General case' 0 CA--C 1.535 0.367 0 C-N-CA 127.145 2.178 . . . . 10.0 112.54 179.94 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 86' ' ' TRP . . . . . . . . . . . . . 56.0 m95 -60.73 -43.52 97.8 Favored 'General case' 0 N--CA 1.466 0.352 0 N-CA-C 113.567 0.951 . . . . 10.0 113.567 175.944 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 87' ' ' ARG . . . . . . . . . . . . . 13.8 tpt180 -56.29 -48.52 76.47 Favored 'General case' 0 N--CA 1.473 0.715 0 CA-C-N 118.897 0.771 . . . . 10.0 111.384 170.807 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 88' ' ' LEU . . . . . . . . . . . . . 1.7 tt -56.72 -53.0 62.78 Favored 'General case' 0 CA--C 1.544 0.743 0 C-N-CA 124.474 1.11 . . . . 10.0 111.846 176.142 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 89' ' ' ILE . . . . . . . . . . . . . 76.8 mt -50.66 -52.73 15.47 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.75 0 C-N-CA 124.846 1.258 . . . . 10.0 110.795 174.343 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 61.9 mtpt -57.19 -44.62 83.79 Favored 'General case' 0 N--CA 1.472 0.658 0 C-N-CA 124.379 1.072 . . . . 10.0 113.02 174.978 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 6.2 tp10 -55.62 -48.6 74.66 Favored 'General case' 0 CA--C 1.547 0.839 0 C-N-CA 125.062 1.345 . . . . 10.0 112.139 174.403 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 92' ' ' ILE . . . . . . . . . . . . . 96.1 mt -58.37 -54.01 38.58 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.863 0 C-N-CA 125.062 1.345 . . . . 10.0 111.118 172.077 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 93' ' ' CYS . . . . . . . . . . . . . 96.3 m -55.53 -43.08 75.42 Favored 'General case' 0 CA--C 1.546 0.803 0 C-N-CA 123.929 0.892 . . . . 10.0 112.655 178.41 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 67.5 m -58.58 -34.87 71.57 Favored 'General case' 0 N--CA 1.477 0.893 0 C-N-CA 126.326 1.85 . . . . 10.0 113.732 176.822 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . -67.91 -27.64 66.82 Favored 'General case' 0 CA--C 1.547 0.853 0 C-N-CA 124.437 1.095 . . . . 10.0 113.868 177.828 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 96' ' ' LYS . . . . . . . . . . . . . 42.1 mttm -63.85 127.62 32.17 Favored 'General case' 0 N--CA 1.477 0.915 0 C-N-CA 125.364 1.466 . . . . 10.0 112.252 -174.71 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 97' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -131.49 148.2 52.61 Favored 'General case' 0 CA--C 1.537 0.478 0 C-N-CA 126.249 1.82 . . . . 10.0 114.409 -172.035 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 98' ' ' CYS . . . . . . . . . . . . . 56.0 m -109.45 137.86 46.68 Favored 'General case' 0 CA--C 1.538 0.504 0 C-N-CA 124.958 1.303 . . . . 10.0 111.821 177.828 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 99' ' ' ASP . . . . . . . . . . . . . 31.4 t70 -60.72 -41.58 95.56 Favored 'General case' 0 N--CA 1.474 0.735 0 C-N-CA 124.556 1.142 . . . . 10.0 112.989 179.643 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 100' ' ' PHE . . . . . . . . . . . . . 6.3 p90 -70.49 -12.03 61.31 Favored 'General case' 0 CA--C 1.545 0.758 0 N-CA-C 115.4 1.629 . . . . 10.0 115.4 -178.704 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 101' ' ' TRP . . . . . . . . . . . . . 6.5 m0 -61.38 152.31 29.96 Favored 'General case' 0 CA--C 1.541 0.604 0 N-CA-C 115.702 1.741 . . . . 10.0 115.702 -169.755 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 102' ' ' LEU . . . . . . . . . . . . . 3.6 mp -124.18 -162.77 1.09 Allowed 'General case' 0 CA--C 1.544 0.73 0 C-N-CA 128.432 2.693 . . . . 10.0 108.512 170.22 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 13.0 pt-20 -48.67 -33.73 10.55 Favored 'General case' 0 N--CA 1.479 1.004 0 N-CA-C 115.858 1.799 . . . . 10.0 115.858 -176.511 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 104' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -65.17 -12.26 49.22 Favored 'General case' 0 N--CA 1.483 1.199 0 N-CA-C 115.337 1.606 . . . . 10.0 115.337 174.973 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 105' ' ' GLY . . . . . . . . . . . . . . . -134.46 -55.6 0.07 OUTLIER Glycine 0 CA--C 1.531 1.091 0 C-N-CA 126.005 1.764 . . . . 10.0 113.847 -171.671 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 106' ' ' ALA . . . . . . . . . . . . . . . -67.18 92.64 0.27 Allowed 'General case' 0 CA--C 1.548 0.889 0 C-N-CA 125.253 1.421 . . . . 10.0 112.639 -175.748 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 107' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.252 1.236 0 C-N-CA 127.682 2.393 . . . . 10.0 111.255 176.034 . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' 1' ' ' ARG . . . . . . . . . . . . . 73.7 mtt85 . . . . . 0 N--CA 1.49 1.566 0 N-CA-C 110.372 -0.233 . . . . 10.0 110.372 . . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' 2' ' ' VAL . . . . . . . . . . . . . 59.8 t -67.27 129.67 32.01 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.053 0 C-N-CA 124.345 1.058 . . . . 10.0 109.937 173.078 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -141.72 94.77 2.72 Favored 'General case' 0 CA--C 1.542 0.636 0 C-N-CA 124.929 1.292 . . . . 10.0 110.792 178.744 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 38.9 mm-40 -118.77 -1.82 11.02 Favored 'General case' 0 N--CA 1.477 0.923 0 C-N-CA 125.277 1.431 . . . . 10.0 113.247 -176.077 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 5' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -126.5 60.1 1.34 Allowed 'General case' 0 CA--C 1.546 0.817 0 C-N-CA 126.22 1.808 . . . . 10.0 109.269 173.852 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 70.7 mtt180 -78.21 154.93 79.77 Favored Pre-proline 0 N--CA 1.477 0.92 0 C-N-CA 126.758 2.023 . . . . 10.0 110.939 -179.555 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 7' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_exo -51.38 121.11 7.86 Favored 'Trans proline' 0 CA--C 1.541 0.832 0 C-N-CA 122.4 2.067 . . . . 10.0 110.215 169.092 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . 111.92 -16.83 25.37 Favored Glycine 0 CA--C 1.539 1.533 0 C-N-CA 126.464 1.983 . . . . 10.0 114.178 -169.708 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -59.8 134.0 56.62 Favored 'General case' 0 CA--C 1.543 0.701 0 CA-C-N 119.739 1.77 . . . . 10.0 113.492 -172.37 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 10' ' ' PHE . . . . . . . . . . . . . 14.2 m-30 -58.79 144.68 43.24 Favored 'General case' 0 CA--C 1.539 0.556 0 C-N-CA 125.279 1.431 . . . . 10.0 112.506 172.464 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 50.0 mt -123.39 111.42 29.33 Favored 'Isoleucine or valine' 0 C--O 1.237 0.424 0 N-CA-C 106.859 -1.534 . . . . 10.0 106.859 169.445 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 81.4 mttt -104.92 84.97 2.21 Favored 'General case' 0 N--CA 1.471 0.625 0 C-N-CA 125.713 1.605 . . . . 10.0 109.501 178.947 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 36.0 mt-30 -75.04 -40.13 60.58 Favored 'General case' 0 CA--C 1.539 0.532 0 C-N-CA 124.736 1.215 . . . . 10.0 110.365 171.642 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . 101.16 65.73 0.79 Allowed Glycine 0 CA--C 1.528 0.862 0 C-N-CA 125.917 1.723 . . . . 10.0 110.675 -179.578 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 19.9 ttp85 -133.51 111.94 11.11 Favored 'General case' 0 N--CA 1.469 0.504 0 C-N-CA 126.637 1.975 . . . . 10.0 110.533 -169.738 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 80.4 tttt -73.11 104.31 4.14 Favored 'General case' 0 N--CA 1.473 0.687 0 C-N-CA 125.849 1.659 . . . . 10.0 110.752 179.865 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 79.2 mt -77.35 177.27 8.08 Favored 'General case' 0 CA--C 1.546 0.81 0 C-N-CA 125.208 1.403 . . . . 10.0 112.3 179.676 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 19.2 t0 -128.18 100.12 5.72 Favored 'General case' 0 CA--C 1.541 0.634 0 C-N-CA 125.855 1.662 . . . . 10.0 110.241 176.049 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . 87.3 mt -137.27 129.71 42.94 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.709 0 C-N-CA 126.968 2.107 . . . . 10.0 108.346 -173.357 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 24.3 t0 -89.46 83.67 6.37 Favored 'General case' 0 CA--C 1.54 0.571 0 CA-C-O 122.001 0.905 . . . . 10.0 111.017 172.952 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 21' ' ' PHE . . . . . . . . . . . . . 81.6 m-85 -62.96 -45.36 92.81 Favored 'General case' 0 CA--C 1.539 0.549 0 C-N-CA 126.996 2.118 . . . . 10.0 111.466 169.901 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 137.05 157.34 7.61 Favored Glycine 0 CA--C 1.534 1.249 0 C-N-CA 128.24 2.829 . . . . 10.0 110.008 -169.629 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -41.03 -54.03 2.88 Favored 'General case' 0 CA--C 1.547 0.832 0 N-CA-C 116.3 1.963 . . . . 10.0 116.3 -169.531 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 5.3 tp10 -69.35 -47.98 62.72 Favored 'General case' 0 CA--C 1.544 0.72 0 C-N-CA 124.125 0.97 . . . . 10.0 112.282 179.299 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -62.16 -38.22 95.81 Favored Glycine 0 CA--C 1.534 1.252 0 C-N-CA 124.722 1.154 . . . . 10.0 113.852 178.209 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 79.5 m-20 -56.43 -52.49 64.48 Favored 'General case' 0 CA--C 1.534 0.338 0 C-N-CA 126.096 1.758 . . . . 10.0 110.181 173.027 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 75.7 mtt85 -59.24 -47.27 85.99 Favored 'General case' 0 N--CA 1.476 0.837 0 C-N-CA 124.512 1.125 . . . . 10.0 111.485 176.415 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 28' ' ' TYR . . . . . . . . . . . . . 77.0 t80 -58.55 -53.38 58.94 Favored 'General case' 0 CA--C 1.537 0.468 0 C-N-CA 124.349 1.06 . . . . 10.0 112.508 179.018 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 29' ' ' TYR . . . . . . . . . . . . . 82.7 t80 -57.28 -52.27 66.02 Favored 'General case' 0 CA--C 1.537 0.45 0 C-N-CA 123.764 0.826 . . . . 10.0 111.848 174.293 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -52.77 -37.25 59.31 Favored 'General case' 0 CA--C 1.545 0.774 0 N-CA-C 113.557 0.947 . . . . 10.0 113.557 179.328 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -80.16 -31.13 38.94 Favored 'General case' 0 CA--C 1.55 0.968 0 N-CA-C 114.962 1.468 . . . . 10.0 114.962 175.111 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 32' ' ' ASN . . . . . . . . . . . . . 48.7 m-80 -125.42 16.61 8.27 Favored 'General case' 0 CA--C 1.548 0.896 0 N-CA-C 116.488 2.032 . . . . 10.0 116.488 -169.059 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 33' ' ' TYR . . . . . . . . . . . . . 51.6 p90 -50.36 -32.12 16.53 Favored 'General case' 0 N--CA 1.476 0.856 0 C-N-CA 126.093 1.757 . . . . 10.0 114.639 -176.444 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 34' ' ' TRP . . . . . . . . . . . . . 65.7 p-90 -51.51 -33.97 33.97 Favored 'General case' 0 CA--C 1.545 0.768 0 C-N-CA 126.375 1.87 . . . . 10.0 114.219 174.844 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 31.6 mt-30 -65.62 -45.26 83.77 Favored 'General case' 0 N--CA 1.472 0.645 0 C-N-CA 124.45 1.1 . . . . 10.0 112.645 175.793 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 36' ' ' PHE . . . . . . . . . . . . . 56.0 m-85 -72.77 153.91 91.27 Favored Pre-proline 0 CA--C 1.544 0.718 0 C-N-CA 126.775 2.03 . . . . 10.0 112.922 -171.868 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 93.9 Cg_endo -72.37 157.49 53.18 Favored 'Trans proline' 0 CA--C 1.541 0.87 0 C-N-CA 122.209 1.939 . . . . 10.0 109.107 168.485 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 3.8 p30 -118.16 -25.43 6.65 Favored 'General case' 0 N--CA 1.474 0.757 0 O-C-N 121.199 -0.938 . . . . 10.0 111.911 171.016 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . -119.42 160.28 14.41 Favored Glycine 0 CA--C 1.536 1.389 0 C-N-CA 125.633 1.587 . . . . 10.0 110.096 168.42 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 40' ' ' ILE . . . . . . . . . . . . . 91.1 mt -134.75 122.98 40.32 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.756 0 C-N-CA 124.356 1.062 . . . . 10.0 108.512 172.76 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 41' ' ' TYR . . . . . . . . . . . . . 91.5 t80 -73.83 102.01 3.92 Favored 'General case' 0 CA--C 1.536 0.424 0 C-N-CA 124.975 1.31 . . . . 10.0 109.913 174.111 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 42' ' ' TYR . . . . . . . . . . . . . 85.7 t80 -153.18 137.74 16.83 Favored 'General case' 0 CA--C 1.538 0.494 0 C-N-CA 124.085 0.954 . . . . 10.0 111.056 177.688 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 46.1 mt-10 -132.53 64.17 1.61 Allowed 'General case' 0 N--CA 1.474 0.759 0 C-N-CA 125.397 1.479 . . . . 10.0 110.944 -173.528 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . -67.2 -52.33 32.64 Favored Glycine 0 CA--C 1.533 1.172 0 C-N-CA 125.157 1.36 . . . . 10.0 113.934 -178.558 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 45' ' ' CYS . . . . . . . . . . . . . 28.5 m -60.54 135.67 57.82 Favored 'General case' 0 CA--C 1.541 0.597 0 C-N-CA 125.323 1.449 . . . . 10.0 114.015 -175.139 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 25.8 t -148.02 -51.4 0.18 Allowed 'General case' 0 N--CA 1.472 0.629 0 C-N-CA 126.557 1.943 . . . . 10.0 110.961 178.291 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 10.5 pt-20 -139.6 163.04 33.62 Favored 'General case' 0 CA--C 1.542 0.637 0 C-N-CA 126.425 1.89 . . . . 10.0 111.971 179.032 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -51.38 -28.46 12.64 Favored 'General case' 0 CA--C 1.547 0.832 0 C-N-CA 126.498 1.919 . . . . 10.0 115.813 -174.237 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 69.8 m-80 -60.14 -28.52 67.95 Favored 'General case' 0 CA--C 1.545 0.785 0 C-N-CA 124.599 1.16 . . . . 10.0 113.281 173.896 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . 46.4 t -78.14 91.96 1.29 Allowed 'Isoleucine or valine' 0 N--CA 1.472 0.638 0 C-N-CA 124.521 1.128 . . . . 10.0 108.863 169.811 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 67.8 p -78.63 -179.99 6.78 Favored 'General case' 0 N--CA 1.476 0.838 0 C-N-CA 125.593 1.557 . . . . 10.0 112.064 175.293 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 86.0 tttt -59.95 -55.79 29.73 Favored 'General case' 0 N--CA 1.473 0.676 0 O-C-N 121.122 -0.986 . . . . 10.0 111.733 169.982 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 12.3 pt-20 -53.38 -38.88 63.78 Favored 'General case' 0 N--CA 1.474 0.768 0 CA-C-N 118.72 0.691 . . . . 10.0 112.705 178.868 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 54' ' ' MET . . . . . . . . . . . . . 85.3 mmm -59.23 -58.01 10.5 Favored 'General case' 0 CA--C 1.538 0.484 0 C-N-CA 124.099 0.96 . . . . 10.0 111.573 169.506 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 6.9 tt -54.48 -56.7 16.07 Favored 'General case' 0 CA--C 1.536 0.441 0 C-N-CA 124.499 1.12 . . . . 10.0 113.049 -178.955 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 22.5 t -60.21 -51.0 78.0 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.902 0 C-N-CA 123.743 0.817 . . . . 10.0 110.555 -173.911 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 57' ' ' THR . . . . . . . . . . . . . 28.5 m -60.85 -51.72 68.1 Favored 'General case' 0 N--CA 1.475 0.816 0 C-N-CA 124.346 1.058 . . . . 10.0 111.791 179.205 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 8.3 t -61.16 -40.78 95.16 Favored 'General case' 0 N--CA 1.47 0.53 0 C-N-CA 123.672 0.789 . . . . 10.0 112.23 178.638 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 59' ' ' CYS . . . . . . . . . . . . . 21.1 t -55.73 -53.6 54.63 Favored 'General case' 0 CA--C 1.534 0.337 0 C-N-CA 124.615 1.166 . . . . 10.0 112.85 169.955 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 60' ' ' VAL . . . . . . . . . . . . . 39.6 t -55.94 -39.72 58.84 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.852 0 C-N-CA 124.394 1.078 . . . . 10.0 111.811 177.266 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 61' ' ' ASN . . . . . . . . . . . . . 17.4 m-80 -63.85 -49.42 72.85 Favored 'General case' 0 CA--C 1.545 0.771 0 C-N-CA 124.766 1.226 . . . . 10.0 113.096 170.479 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -60.08 -42.37 94.43 Favored 'General case' 0 CA--C 1.543 0.689 0 C-N-CA 124.927 1.291 . . . . 10.0 112.106 178.039 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 63' ' ' THR . . . . . . . . . . . . . 61.3 m -54.86 -48.53 72.79 Favored 'General case' 0 N--CA 1.471 0.594 0 C-N-CA 126.349 1.86 . . . . 10.0 111.732 176.176 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 64' ' ' GLN . . . . . . . . . . . . . 48.8 mt-30 -51.43 -56.57 12.53 Favored 'General case' 0 N--CA 1.47 0.57 0 C-N-CA 124.278 1.031 . . . . 10.0 111.728 173.089 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -58.03 -42.31 85.02 Favored 'General case' 0 CA--C 1.545 0.775 0 C-N-CA 125.785 1.634 . . . . 10.0 113.994 -179.961 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -72.2 -36.79 69.3 Favored 'General case' 0 CA--C 1.545 0.767 0 N-CA-C 114.178 1.177 . . . . 10.0 114.178 -179.654 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 67' ' ' ASN . . . . . . . . . . . . . 8.5 m-80 -117.92 39.07 3.46 Favored 'General case' 0 N--CA 1.475 0.814 0 C-N-CA 124.324 1.05 . . . . 10.0 112.607 -170.689 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 68' ' ' GLN . . . . . . . . . . . . . 63.5 mt-30 -51.52 -46.53 63.3 Favored 'General case' 0 N--CA 1.474 0.775 0 C-N-CA 125.803 1.641 . . . . 10.0 113.141 -177.705 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -54.56 -52.13 63.07 Favored 'General case' 0 CA--C 1.541 0.618 0 C-N-CA 125.036 1.334 . . . . 10.0 112.636 177.996 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 9.9 mm-40 -56.65 -48.41 77.63 Favored 'General case' 0 N--CA 1.472 0.653 0 C-N-CA 124.714 1.206 . . . . 10.0 112.433 -179.837 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 71' ' ' PHE . . . . . . . . . . . . . 34.2 m-85 -61.45 -49.59 76.21 Favored 'General case' 0 CA--C 1.537 0.446 0 C-N-CA 122.898 0.479 . . . . 10.0 112.019 174.247 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 58.9 m -55.36 -47.66 75.42 Favored 'General case' 0 N--CA 1.475 0.797 0 C-N-CA 124.927 1.291 . . . . 10.0 113.213 178.463 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 73' ' ' ARG . . . . . . . . . . . . . 90.7 mtt180 -51.45 -51.86 51.27 Favored 'General case' 0 N--CA 1.477 0.884 0 C-N-CA 126.293 1.837 . . . . 10.0 112.314 176.106 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 46.6 mm-40 -81.04 -62.03 1.78 Allowed 'General case' 0 CA--C 1.54 0.579 0 C-N-CA 124.674 1.19 . . . . 10.0 113.159 -175.2 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 41.4 ttmt -46.35 -40.27 11.64 Favored 'General case' 0 N--CA 1.481 1.079 0 C-N-CA 128.19 2.596 . . . . 10.0 114.96 -170.906 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 76' ' ' GLN . . . . . . . . . . . . . 22.0 mm100 -60.44 -19.36 56.11 Favored 'General case' 0 CA--C 1.546 0.811 0 C-N-CA 124.906 1.282 . . . . 10.0 114.422 179.905 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 31.7 t70 -128.62 -48.31 1.27 Allowed 'General case' 0 N--CA 1.473 0.696 0 C-N-CA 125.683 1.593 . . . . 10.0 112.829 178.752 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 4.4 t -66.6 129.95 41.57 Favored 'General case' 0 CA--C 1.536 0.414 0 C-N-CA 125.719 1.608 . . . . 10.0 113.673 -175.089 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 60.3 tptt -88.65 -62.38 1.5 Allowed 'General case' 0 N--CA 1.474 0.748 0 C-N-CA 125.4 1.48 . . . . 10.0 111.739 173.66 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 49.2 tp -70.84 -44.61 66.11 Favored 'General case' 0 N--CA 1.469 0.496 0 C-N-CA 124.977 1.311 . . . . 10.0 113.404 -174.094 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 81' ' ' HIS . . . . . . . . . . . . . 14.1 t-160 -51.0 -50.62 58.11 Favored 'General case' 0 N--CA 1.475 0.81 0 CA-C-N 119.201 0.909 . . . . 10.0 112.323 -170.604 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 82' ' ' GLN . . . . . . . . . . . . . 92.2 mm-40 -52.61 -48.56 66.24 Favored 'General case' 0 N--CA 1.471 0.6 0 C-N-CA 123.895 0.878 . . . . 10.0 112.85 177.977 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 83' ' ' ARG . . . . . . . . . . . . . 14.2 mmp_? -51.97 -54.73 26.2 Favored 'General case' 0 N--CA 1.481 1.081 0 C-N-CA 124.796 1.238 . . . . 10.0 111.357 178.507 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 84' ' ' VAL . . . . . . . . . . . . . 21.4 t -62.31 -51.44 72.27 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.684 0 C-N-CA 126.482 1.913 . . . . 10.0 110.82 178.345 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 85' ' ' LEU . . . . . . . . . . . . . 50.4 tp -56.82 -46.72 81.48 Favored 'General case' 0 N--CA 1.468 0.463 0 C-N-CA 126.869 2.068 . . . . 10.0 112.919 -179.231 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 86' ' ' TRP . . . . . . . . . . . . . 73.2 m95 -64.93 -43.0 94.21 Favored 'General case' 0 N--CA 1.466 0.337 0 N-CA-C 113.48 0.918 . . . . 10.0 113.48 175.824 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 87' ' ' ARG . . . . . . . . . . . . . 13.6 tpt180 -55.99 -51.97 65.87 Favored 'General case' 0 N--CA 1.474 0.733 0 CA-C-O 118.663 -0.684 . . . . 10.0 110.99 169.832 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 88' ' ' LEU . . . . . . . . . . . . . 1.7 tm? -51.5 -54.49 26.61 Favored 'General case' 0 CA--C 1.544 0.74 0 C-N-CA 126.476 1.911 . . . . 10.0 112.143 175.125 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 89' ' ' ILE . . . . . . . . . . . . . 64.2 mt -53.89 -52.22 37.72 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.841 0 C-N-CA 124.71 1.204 . . . . 10.0 111.16 176.693 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 39.9 ttmt -60.89 -44.45 97.1 Favored 'General case' 0 N--CA 1.469 0.522 0 C-N-CA 123.865 0.866 . . . . 10.0 112.411 177.382 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 8.1 tp10 -54.17 -50.37 67.15 Favored 'General case' 0 CA--C 1.541 0.62 0 C-N-CA 125.269 1.428 . . . . 10.0 111.576 175.112 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 92' ' ' ILE . . . . . . . . . . . . . 96.7 mt -53.35 -58.22 3.5 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.905 0 C-N-CA 124.145 0.978 . . . . 10.0 110.904 171.604 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 93' ' ' CYS . . . . . . . . . . . . 0.307 0.5 OUTLIER -69.39 -28.11 65.89 Favored 'General case' 0 CA--C 1.546 0.823 0 N-CA-C 114.109 1.152 . . . . 10.0 114.109 -172.72 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 23.8 t -68.13 -40.94 82.34 Favored 'General case' 0 N--CA 1.474 0.73 0 C-N-CA 125.897 1.679 . . . . 10.0 112.405 169.368 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . -60.09 -51.36 69.94 Favored 'General case' 0 CA--C 1.542 0.645 0 C-N-CA 124.483 1.113 . . . . 10.0 113.037 179.705 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 96' ' ' LYS . . . . . . . . . . . . . 18.9 ptpt -58.58 137.91 57.18 Favored 'General case' 0 N--CA 1.48 1.052 0 O-C-N 121.449 -0.782 . . . . 10.0 112.64 177.025 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 97' ' ' HIS . . . . . . . . . . . . . 17.7 m80 -130.98 166.65 20.51 Favored 'General case' 0 N--CA 1.478 0.954 0 C-N-CA 126.775 2.03 . . . . 10.0 112.266 -177.566 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 98' ' ' CYS . . . . . . . . . . . . . 50.6 m -126.7 134.25 50.73 Favored 'General case' 0 CA--C 1.539 0.533 0 C-N-CA 125.662 1.585 . . . . 10.0 111.678 -178.016 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 99' ' ' ASP . . . . . . . . . . . . . 11.9 m-20 -57.05 -40.19 76.33 Favored 'General case' 0 N--CA 1.472 0.673 0 C-N-CA 125.524 1.53 . . . . 10.0 113.836 -172.015 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 100' ' ' PHE . . . . . . . . . . . . . 9.7 p90 -72.0 -4.73 30.31 Favored 'General case' 0 CA--C 1.545 0.761 0 N-CA-C 115.038 1.496 . . . . 10.0 115.038 -178.041 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 101' ' ' TRP . . . . . . . . . . . . . 53.2 m0 -67.32 84.31 0.15 Allowed 'General case' 0 N--CA 1.475 0.789 0 CA-C-N 120.183 1.356 . . . . 10.0 112.308 175.538 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 102' ' ' LEU . . . . . . . . . . . . . 2.6 pt? -64.76 157.51 27.33 Favored 'General case' 0 CA--C 1.543 0.688 0 C-N-CA 127.763 2.425 . . . . 10.0 113.618 174.89 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 13.1 pt-20 -73.05 -34.84 66.54 Favored 'General case' 0 N--CA 1.473 0.712 0 C-N-CA 124.514 1.126 . . . . 10.0 114.028 179.496 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 104' ' ' ARG . . . . . . . . . . . . . 76.0 mtm180 -71.39 151.56 43.96 Favored 'General case' 0 N--CA 1.476 0.868 0 C-N-CA 124.834 1.254 . . . . 10.0 112.835 -175.777 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 105' ' ' GLY . . . . . . . . . . . . . . . -176.35 -116.47 0.46 Allowed Glycine 0 CA--C 1.533 1.172 0 C-N-CA 125.388 1.471 . . . . 10.0 111.966 179.779 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 106' ' ' ALA . . . . . . . . . . . . . . . -142.46 159.22 42.66 Favored 'General case' 0 CA--C 1.546 0.817 0 C-N-CA 125.665 1.586 . . . . 10.0 112.179 178.346 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 107' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.253 1.264 0 C-N-CA 126.768 2.027 . . . . 10.0 111.858 -179.679 . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' A' A ' 1' ' ' ARG . . . . . . . . . . . . . 53.4 ttt85 . . . . . 0 N--CA 1.49 1.537 0 CA-C-O 119.187 -0.435 . . . . 10.0 111.358 . . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' A' A ' 2' ' ' VAL . . . . . . . . . . . . . 57.0 t -64.69 141.53 18.1 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.134 0 C-N-CA 125.231 1.413 . . . . 10.0 110.827 -179.048 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -67.54 168.97 10.0 Favored 'General case' 0 CA--C 1.548 0.893 0 C-N-CA 124.942 1.297 . . . . 10.0 113.823 -178.334 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 90.0 mt-10 -64.58 124.06 20.9 Favored 'General case' 0 N--CA 1.471 0.585 0 C-N-CA 124.152 0.981 . . . . 10.0 108.885 169.768 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 5' ' ' ASN . . . . . . . . . . . . . 1.3 t30 -74.26 76.36 1.83 Allowed 'General case' 0 CA--C 1.55 0.972 0 C-N-CA 123.58 0.752 . . . . 10.0 112.593 -172.034 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 9.6 ptp180 -121.91 151.64 58.22 Favored Pre-proline 0 N--CA 1.478 0.933 0 C-N-CA 127.921 2.488 . . . . 10.0 110.77 172.772 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 7' ' ' PRO . . . . . . . . . . . . . 80.8 Cg_exo -47.4 114.53 1.05 Allowed 'Trans proline' 0 CA--C 1.541 0.85 0 C-N-CA 123.761 2.974 . . . . 10.0 113.868 -175.066 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . 114.6 -18.64 17.23 Favored Glycine 0 CA--C 1.539 1.537 0 C-N-CA 127.132 2.301 . . . . 10.0 114.42 -171.957 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -57.34 132.87 54.38 Favored 'General case' 0 CA--C 1.543 0.674 0 N-CA-C 115.495 1.665 . . . . 10.0 115.495 -169.603 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 10' ' ' PHE . . . . . . . . . . . . . 7.4 m-30 -58.38 134.19 56.4 Favored 'General case' 0 CA--C 1.541 0.615 0 C-N-CA 126.246 1.819 . . . . 10.0 112.489 170.216 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 61.7 mt -116.06 99.07 7.64 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.508 0 N-CA-C 106.741 -1.577 . . . . 10.0 106.741 169.618 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 53.8 mtmt -101.77 73.52 1.43 Allowed 'General case' 0 N--CA 1.472 0.652 0 C-N-CA 126.857 2.063 . . . . 10.0 110.074 -176.413 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 86.6 mm-40 -71.39 -45.32 63.08 Favored 'General case' 0 CA--C 1.54 0.559 0 C-N-CA 124.081 0.953 . . . . 10.0 110.395 170.643 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . 105.51 70.12 0.77 Allowed Glycine 0 CA--C 1.53 0.978 0 C-N-CA 126.024 1.773 . . . . 10.0 111.309 178.759 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 10.3 ttp180 -137.03 117.96 14.22 Favored 'General case' 0 N--CA 1.472 0.665 0 C-N-CA 126.97 2.108 . . . . 10.0 110.436 -169.819 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 44.8 tttm -69.66 139.53 53.53 Favored 'General case' 0 N--CA 1.474 0.731 0 C-N-CA 124.439 1.096 . . . . 10.0 111.769 179.609 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 61.2 mt -111.96 -179.74 3.77 Favored 'General case' 0 CA--C 1.546 0.798 0 C-N-CA 127.769 2.428 . . . . 10.0 111.651 174.506 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 20.9 t70 -126.13 99.61 5.97 Favored 'General case' 0 CA--C 1.542 0.646 0 C-N-CA 125.533 1.533 . . . . 10.0 110.569 175.065 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . 69.5 mt -136.3 130.86 48.15 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.727 0 C-N-CA 127.415 2.286 . . . . 10.0 108.143 -175.731 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 23.9 t0 -89.83 85.02 6.29 Favored 'General case' 0 N--CA 1.47 0.535 0 CA-C-O 122.075 0.94 . . . . 10.0 110.921 172.305 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 21' ' ' PHE . . . . . . . . . . . . . 82.8 m-85 -63.81 -44.36 93.53 Favored 'General case' 0 CA--C 1.54 0.561 0 C-N-CA 126.935 2.094 . . . . 10.0 111.73 170.335 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 133.52 160.46 9.4 Favored Glycine 0 CA--C 1.533 1.202 0 C-N-CA 127.989 2.709 . . . . 10.0 109.963 -169.517 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -42.15 -56.31 2.92 Favored 'General case' 0 CA--C 1.547 0.83 0 N-CA-C 115.432 1.642 . . . . 10.0 115.432 -169.727 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 26.0 mm-40 -63.89 -49.56 72.21 Favored 'General case' 0 N--CA 1.472 0.664 0 C-N-CA 124.185 0.994 . . . . 10.0 112.132 178.811 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -64.67 -38.04 95.15 Favored Glycine 0 CA--C 1.533 1.159 0 C-N-CA 124.621 1.105 . . . . 10.0 114.143 -178.967 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 84.2 m-20 -57.27 -53.72 54.93 Favored 'General case' 0 CA--C 1.533 0.32 0 C-N-CA 126.048 1.739 . . . . 10.0 110.145 173.86 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 94.2 mtt-85 -58.32 -47.68 82.94 Favored 'General case' 0 N--CA 1.474 0.745 0 C-N-CA 124.949 1.3 . . . . 10.0 111.458 175.861 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 28' ' ' TYR . . . . . . . . . . . . . 78.1 t80 -58.47 -54.63 44.83 Favored 'General case' 0 CA--C 1.536 0.44 0 C-N-CA 124.364 1.066 . . . . 10.0 112.363 178.89 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 29' ' ' TYR . . . . . . . . . . . . . 86.7 t80 -57.26 -50.63 72.28 Favored 'General case' 0 CA--C 1.538 0.489 0 C-N-CA 124.3 1.04 . . . . 10.0 112.221 176.047 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -52.07 -38.77 58.28 Favored 'General case' 0 CA--C 1.546 0.801 0 N-CA-C 113.461 0.911 . . . . 10.0 113.461 177.238 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -81.76 -25.78 35.03 Favored 'General case' 0 CA--C 1.55 0.949 0 N-CA-C 115.063 1.505 . . . . 10.0 115.063 176.107 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 32' ' ' ASN . . . . . . . . . . . . . 57.7 m-80 -126.65 11.47 7.3 Favored 'General case' 0 CA--C 1.548 0.866 0 N-CA-C 116.8 2.148 . . . . 10.0 116.8 -169.081 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 33' ' ' TYR . . . . . . . . . . . . . 41.6 p90 -51.04 -29.06 11.65 Favored 'General case' 0 N--CA 1.478 0.956 0 C-N-CA 125.285 1.434 . . . . 10.0 114.724 -177.62 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 34' ' ' TRP . . . . . . . . . . . . . 64.1 p-90 -52.37 -29.8 25.77 Favored 'General case' 0 CA--C 1.544 0.722 0 C-N-CA 126.109 1.763 . . . . 10.0 114.477 173.4 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 30.7 mt-30 -74.12 -39.78 63.12 Favored 'General case' 0 N--CA 1.473 0.695 0 C-N-CA 124.646 1.179 . . . . 10.0 113.351 174.681 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 36' ' ' PHE . . . . . . . . . . . . . 58.2 m-85 -70.83 149.66 95.11 Favored Pre-proline 0 CA--C 1.545 0.766 0 C-N-CA 125.687 1.595 . . . . 10.0 113.615 -169.552 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 84.2 Cg_endo -73.51 100.18 1.22 Allowed 'Trans proline' 0 CA--C 1.535 0.556 0 C-N-CA 123.772 2.981 . . . . 10.0 110.35 170.233 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 4.5 p30 -68.41 -20.02 64.63 Favored 'General case' 0 CA--C 1.545 0.778 0 O-C-N 121.02 -1.05 . . . . 10.0 112.955 177.391 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . -129.71 161.02 22.89 Favored Glycine 0 CA--C 1.535 1.302 0 C-N-CA 125.945 1.736 . . . . 10.0 110.764 169.045 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 40' ' ' ILE . . . . . . . . . . . . . 79.3 mt -136.95 122.72 27.13 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.8 0 C-N-CA 124.139 0.976 . . . . 10.0 109.333 174.328 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 41' ' ' TYR . . . . . . . . . . . . . 82.6 t80 -72.82 100.43 2.88 Favored 'General case' 0 CA--C 1.537 0.471 0 C-N-CA 124.365 1.066 . . . . 10.0 110.129 172.242 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 42' ' ' TYR . . . . . . . . . . . . . 83.2 t80 -156.29 136.59 12.99 Favored 'General case' 0 N--CA 1.467 0.406 0 C-N-CA 124.481 1.112 . . . . 10.0 110.888 172.84 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 43.9 mt-10 -134.5 77.91 1.72 Allowed 'General case' 0 CA--C 1.54 0.581 0 C-N-CA 126.095 1.758 . . . . 10.0 110.302 -175.497 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . -72.44 -28.59 67.45 Favored Glycine 0 CA--C 1.536 1.375 0 C-N-CA 124.902 1.239 . . . . 10.0 114.772 -176.592 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 45' ' ' CYS . . . . . . . . . . . . . 63.2 m -53.45 116.37 2.42 Favored 'General case' 0 CA--C 1.543 0.692 0 C-N-CA 126.437 1.895 . . . . 10.0 113.39 -175.015 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 51.4 m -132.26 -61.9 0.85 Allowed 'General case' 0 N--CA 1.475 0.781 0 C-N-CA 125.801 1.64 . . . . 10.0 111.788 -179.418 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 10.6 pt-20 -152.6 164.77 37.02 Favored 'General case' 0 N--CA 1.473 0.689 0 C-N-CA 126.328 1.851 . . . . 10.0 111.462 -179.36 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -51.66 -29.96 19.96 Favored 'General case' 0 CA--C 1.547 0.856 0 N-CA-C 115.67 1.73 . . . . 10.0 115.67 -175.781 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 70.6 m-20 -59.21 -30.74 68.45 Favored 'General case' 0 CA--C 1.546 0.795 0 C-N-CA 124.398 1.079 . . . . 10.0 113.059 173.594 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . 61.1 t -75.91 91.6 0.87 Allowed 'Isoleucine or valine' 0 N--CA 1.472 0.653 0 N-CA-C 107.886 -1.153 . . . . 10.0 107.886 169.423 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 69.4 p -72.29 177.86 4.27 Favored 'General case' 0 N--CA 1.474 0.756 0 C-N-CA 125.087 1.355 . . . . 10.0 111.956 173.897 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 60.4 tttm -59.29 -52.98 63.32 Favored 'General case' 0 N--CA 1.472 0.665 0 O-C-N 121.161 -0.962 . . . . 10.0 111.15 169.568 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 45.0 mt-10 -51.24 -47.11 62.48 Favored 'General case' 0 N--CA 1.474 0.771 0 C-N-CA 124.117 0.967 . . . . 10.0 112.258 176.677 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 54' ' ' MET . . . . . . . . . . . . . 87.4 mmm -54.97 -55.02 35.37 Favored 'General case' 0 N--CA 1.468 0.431 0 C-N-CA 124.239 1.015 . . . . 10.0 112.391 170.522 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 8.6 tt -58.92 -51.55 69.58 Favored 'General case' 0 CA--C 1.534 0.346 0 C-N-CA 123.73 0.812 . . . . 10.0 112.913 -178.202 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 21.8 t -57.71 -48.31 83.76 Favored 'Isoleucine or valine' 0 N--CA 1.479 0.994 0 CA-C-N 119.62 1.1 . . . . 10.0 110.897 -179.486 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 57' ' ' THR . . . . . . . . . . . . . 56.7 m -57.93 -51.23 70.49 Favored 'General case' 0 N--CA 1.476 0.855 0 C-N-CA 124.38 1.072 . . . . 10.0 111.763 175.097 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 45.0 m -60.62 -40.79 93.2 Favored 'General case' 0 N--CA 1.472 0.673 0 C-N-CA 124.573 1.149 . . . . 10.0 112.421 178.612 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 59' ' ' CYS . . . . . . . . . . . . . 40.9 t -59.22 -50.43 74.06 Favored 'General case' 0 CA--C 1.534 0.359 0 C-N-CA 126.201 1.8 . . . . 10.0 112.362 173.501 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 60' ' ' VAL . . . . . . . . . . . . . 43.1 t -54.59 -48.25 71.13 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.966 0 C-N-CA 124.153 0.981 . . . . 10.0 111.523 172.224 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 61' ' ' ASN . . . . . . . . . . . . . 16.7 m-80 -58.98 -46.49 87.99 Favored 'General case' 0 CA--C 1.546 0.79 0 C-N-CA 124.652 1.181 . . . . 10.0 113.176 175.069 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -60.43 -47.01 87.97 Favored 'General case' 0 CA--C 1.539 0.526 0 C-N-CA 124.238 1.015 . . . . 10.0 111.26 174.84 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 63' ' ' THR . . . . . . . . . . . . . 38.4 m -55.56 -47.81 75.78 Favored 'General case' 0 N--CA 1.471 0.598 0 C-N-CA 125.676 1.59 . . . . 10.0 111.709 177.002 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 64' ' ' GLN . . . . . . . . . . . . . 62.9 mt-30 -49.84 -59.63 3.66 Favored 'General case' 0 N--CA 1.469 0.513 0 C-N-CA 124.362 1.065 . . . . 10.0 112.052 170.966 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -56.99 -45.79 82.7 Favored 'General case' 0 CA--C 1.544 0.75 0 C-N-CA 125.551 1.54 . . . . 10.0 113.787 -178.799 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -68.35 -35.67 78.09 Favored 'General case' 0 CA--C 1.544 0.722 0 C-N-CA 125.172 1.389 . . . . 10.0 114.257 -179.002 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 67' ' ' ASN . . . . . . . . . . . . . 12.8 m-80 -121.31 39.25 3.88 Favored 'General case' 0 N--CA 1.474 0.746 0 C-N-CA 124.26 1.024 . . . . 10.0 113.074 -169.715 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 68' ' ' GLN . . . . . . . . . . . . . 64.2 mt-30 -52.18 -50.42 61.88 Favored 'General case' 0 N--CA 1.473 0.716 0 C-N-CA 125.248 1.419 . . . . 10.0 112.624 -178.987 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -56.31 -43.32 78.85 Favored 'General case' 0 CA--C 1.544 0.738 0 C-N-CA 125.115 1.366 . . . . 10.0 113.362 178.316 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 23.0 mm-40 -57.34 -51.16 70.49 Favored 'General case' 0 N--CA 1.471 0.603 0 C-N-CA 125.361 1.465 . . . . 10.0 111.735 178.906 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 71' ' ' PHE . . . . . . . . . . . . . 34.5 m-85 -64.19 -49.76 70.76 Favored 'General case' 0 CA--C 1.536 0.436 0 C-N-CA 124.203 1.001 . . . . 10.0 112.219 174.448 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 71.6 m -52.84 -55.11 25.47 Favored 'General case' 0 N--CA 1.472 0.63 0 C-N-CA 125.306 1.442 . . . . 10.0 113.558 -173.413 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 73' ' ' ARG . . . . . . . . . . . . . 31.1 ptt-85 -59.52 -45.58 91.32 Favored 'General case' 0 N--CA 1.479 0.994 0 N-CA-C 113.369 0.877 . . . . 10.0 113.369 -177.135 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 33.8 mm-40 -61.09 -54.05 49.48 Favored 'General case' 0 N--CA 1.469 0.52 0 C-N-CA 124.959 1.304 . . . . 10.0 111.68 176.362 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 86.1 tttt -49.53 -28.72 5.83 Favored 'General case' 0 N--CA 1.477 0.9 0 C-N-CA 127.134 2.174 . . . . 10.0 115.053 -178.178 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 76' ' ' GLN . . . . . . . . . . . . . 70.8 mm-40 -56.44 -33.76 66.18 Favored 'General case' 0 N--CA 1.475 0.816 0 N-CA-C 113.783 1.031 . . . . 10.0 113.783 175.6 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 32.0 t70 -132.93 -40.92 0.93 Allowed 'General case' 0 N--CA 1.474 0.727 0 C-N-CA 125.439 1.495 . . . . 10.0 113.521 -171.439 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 4.9 t -64.25 151.12 44.47 Favored 'General case' 0 CA--C 1.536 0.42 0 C-N-CA 125.453 1.501 . . . . 10.0 113.569 -178.476 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 59.3 mtmt -120.73 -67.69 0.96 Allowed 'General case' 0 N--CA 1.474 0.76 0 C-N-CA 126.138 1.775 . . . . 10.0 110.564 171.209 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 48.5 tp -60.41 -45.37 93.84 Favored 'General case' 0 CA--C 1.537 0.474 0 C-N-CA 125.331 1.453 . . . . 10.0 113.308 -176.561 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 81' ' ' HIS . . . . . . . . . . . . . 14.7 t-160 -51.12 -50.73 58.26 Favored 'General case' 0 N--CA 1.474 0.771 0 CA-C-N 119.168 0.894 . . . . 10.0 111.662 -173.947 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 82' ' ' GLN . . . . . . . . . . . . . 17.9 mm100 -51.52 -50.5 59.87 Favored 'General case' 0 CA--C 1.539 0.545 0 C-N-CA 124.574 1.15 . . . . 10.0 112.609 179.066 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 83' ' ' ARG . . . . . . . . . . . . . 10.4 mpt_? -58.8 -53.87 53.54 Favored 'General case' 0 N--CA 1.48 1.038 0 C-N-CA 124.39 1.076 . . . . 10.0 111.699 179.71 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 84' ' ' VAL . . . . . . . . . . . . . 29.6 t -57.21 -49.78 78.71 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.876 0 C-N-CA 125.2 1.4 . . . . 10.0 110.649 176.981 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 85' ' ' LEU . . . . . . . . . . . . . 45.3 tp -56.75 -47.99 78.83 Favored 'General case' 0 CA--C 1.537 0.468 0 C-N-CA 126.481 1.912 . . . . 10.0 112.646 177.594 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 86' ' ' TRP . . . . . . . . . . . . . 52.5 m95 -61.31 -44.08 97.81 Favored 'General case' 0 N--CA 1.468 0.461 0 N-CA-C 113.787 1.032 . . . . 10.0 113.787 174.919 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 87' ' ' ARG . . . . . . . . . . . . . 14.6 tpt180 -57.18 -51.59 68.7 Favored 'General case' 0 N--CA 1.474 0.768 0 CA-C-N 118.764 0.711 . . . . 10.0 111.565 171.338 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 88' ' ' LEU . . . . . . . . . . . . . 2.3 tm? -51.7 -51.97 51.95 Favored 'General case' 0 CA--C 1.544 0.726 0 C-N-CA 126.299 1.84 . . . . 10.0 111.866 174.906 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 89' ' ' ILE . . . . . . . . . . . . . 65.6 mt -53.34 -53.82 21.68 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.738 0 C-N-CA 124.735 1.214 . . . . 10.0 110.936 172.907 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 36.6 ttpt -57.42 -45.91 84.08 Favored 'General case' 0 N--CA 1.473 0.678 0 C-N-CA 124.426 1.09 . . . . 10.0 113.225 179.762 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 66.8 mm-40 -52.28 -50.79 61.44 Favored 'General case' 0 N--CA 1.472 0.662 0 C-N-CA 124.277 1.031 . . . . 10.0 112.005 172.05 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 92' ' ' ILE . . . . . . . . . . . . . 98.2 mt -60.22 -50.2 81.15 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.96 0 C-N-CA 123.771 0.828 . . . . 10.0 111.71 174.634 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 93' ' ' CYS . . . . . . . . . . . . . 65.1 m -55.71 -39.05 70.53 Favored 'General case' 0 CA--C 1.545 0.762 0 C-N-CA 124.659 1.183 . . . . 10.0 112.603 176.544 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 66.3 m -66.7 -42.09 86.98 Favored 'General case' 0 N--CA 1.475 0.798 0 C-N-CA 125.903 1.681 . . . . 10.0 113.401 171.271 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . -61.27 -47.87 84.01 Favored 'General case' 0 CA--C 1.543 0.691 0 C-N-CA 125.55 1.54 . . . . 10.0 113.357 -176.28 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 96' ' ' LYS . . . . . . . . . . . . . 1.8 ptpm? -60.48 139.49 57.71 Favored 'General case' 0 N--CA 1.48 1.029 0 C-N-CA 123.876 0.87 . . . . 10.0 111.334 171.133 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 97' ' ' HIS . . . . . . . . . . . . . 1.9 m-70 -138.07 165.69 25.96 Favored 'General case' 0 N--CA 1.479 1.024 0 C-N-CA 126.314 1.846 . . . . 10.0 112.364 -172.484 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 98' ' ' CYS . . . . . . . . . . . . . 35.2 m -113.68 137.23 51.9 Favored 'General case' 0 N--CA 1.469 0.496 0 C-N-CA 125.236 1.415 . . . . 10.0 112.041 174.377 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 99' ' ' ASP . . . . . . . . . . . . . 32.5 t70 -61.04 -40.27 92.98 Favored 'General case' 0 CA--C 1.543 0.698 0 C-N-CA 124.999 1.319 . . . . 10.0 113.174 179.664 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 100' ' ' PHE . . . . . . . . . . . . . 8.8 p90 -68.9 -11.93 61.09 Favored 'General case' 0 CA--C 1.544 0.725 0 N-CA-C 115.396 1.628 . . . . 10.0 115.396 -176.418 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 101' ' ' TRP . . . . . . . . . . . . . 38.4 m0 -57.88 127.09 30.32 Favored 'General case' 0 N--CA 1.473 0.707 0 CA-C-N 119.881 1.219 . . . . 10.0 112.766 -178.482 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 102' ' ' LEU . . . . . . . . . . . . . 4.0 pp -146.28 -178.18 6.01 Favored 'General case' 0 CA--C 1.544 0.717 0 C-N-CA 127.231 2.212 . . . . 10.0 112.047 -169.797 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 9.4 tp10 -140.21 147.34 39.91 Favored 'General case' 0 CA--C 1.542 0.671 0 C-N-CA 125.531 1.533 . . . . 10.0 111.002 175.036 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 104' ' ' ARG . . . . . . . . . . . . . 99.9 mtt180 -61.0 -50.58 72.8 Favored 'General case' 0 N--CA 1.477 0.908 0 C-N-CA 125.923 1.689 . . . . 10.0 112.506 -179.282 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 105' ' ' GLY . . . . . . . . . . . . . . . -178.31 173.49 45.92 Favored Glycine 0 CA--C 1.535 1.313 0 C-N-CA 125.814 1.673 . . . . 10.0 112.983 179.499 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 106' ' ' ALA . . . . . . . . . . . . . . . -145.0 155.69 43.52 Favored 'General case' 0 CA--C 1.545 0.777 0 C-N-CA 125.675 1.59 . . . . 10.0 111.916 179.928 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 107' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.254 1.299 0 C-N-CA 126.446 1.898 . . . . 10.0 112.108 179.426 . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' A' A ' 1' ' ' ARG . . . . . . . . . . . . . 43.0 ttp85 . . . . . 0 N--CA 1.489 1.522 0 N-CA-C 110.369 -0.234 . . . . 10.0 110.369 . . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' A' A ' 2' ' ' VAL . . . . . . . . . . . . . 7.2 p -53.21 135.99 14.74 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.067 0 C-N-CA 125.198 1.399 . . . . 10.0 112.819 175.107 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -78.28 106.64 10.33 Favored 'General case' 0 CA--C 1.545 0.758 0 C-N-CA 124.203 1.001 . . . . 10.0 110.449 170.027 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 46.7 mt-10 -96.56 -51.16 4.43 Favored 'General case' 0 N--CA 1.475 0.781 0 C-N-CA 125.35 1.46 . . . . 10.0 110.29 175.269 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 5' ' ' ASN . . . . . . . . . . . . . 17.3 t-20 -78.21 80.02 4.64 Favored 'General case' 0 CA--C 1.545 0.787 0 C-N-CA 124.916 1.286 . . . . 10.0 109.545 169.604 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -125.22 159.62 58.77 Favored Pre-proline 0 N--CA 1.477 0.919 0 C-N-CA 127.52 2.328 . . . . 10.0 111.805 178.97 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 7' ' ' PRO . . . . . . . . . . . . . 75.8 Cg_exo -45.01 120.87 3.18 Favored 'Trans proline' 0 CA--C 1.537 0.67 0 C-N-CA 124.015 3.143 . . . . 10.0 113.522 179.162 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . 116.97 -23.49 9.95 Favored Glycine 0 CA--C 1.538 1.512 0 C-N-CA 127.623 2.535 . . . . 10.0 114.122 -170.395 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -60.09 132.59 54.42 Favored 'General case' 0 CA--C 1.546 0.818 0 CA-C-N 119.473 1.637 . . . . 10.0 112.96 -172.27 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 10' ' ' PHE . . . . . . . . . . . . . 23.2 m-85 -61.49 151.45 32.79 Favored 'General case' 0 CA--C 1.542 0.661 0 O-C-N 121.464 -0.773 . . . . 10.0 112.917 175.242 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 70.9 mt -120.52 97.84 5.5 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.492 0 C-N-CA 126.166 1.786 . . . . 10.0 106.304 169.385 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 60.2 mtpt -96.29 84.67 3.79 Favored 'General case' 0 N--CA 1.473 0.709 0 C-N-CA 125.522 1.529 . . . . 10.0 110.542 -172.766 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 26.8 mt-30 -76.65 -26.71 55.15 Favored 'General case' 0 CA--C 1.541 0.601 0 C-N-CA 124.067 0.947 . . . . 10.0 111.652 171.225 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . 80.31 11.58 84.1 Favored Glycine 0 CA--C 1.536 1.399 0 C-N-CA 125.053 1.311 . . . . 10.0 114.16 179.977 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 45.6 ttp180 -69.59 129.85 40.8 Favored 'General case' 0 N--CA 1.47 0.55 0 C-N-CA 127.108 2.163 . . . . 10.0 110.992 177.741 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 53.1 tttm -69.85 120.53 15.73 Favored 'General case' 0 N--CA 1.473 0.678 0 C-N-CA 123.94 0.896 . . . . 10.0 110.64 171.878 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 75.4 mt -90.02 -179.93 5.8 Favored 'General case' 0 CA--C 1.546 0.815 0 C-N-CA 126.425 1.89 . . . . 10.0 111.806 175.478 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 20.2 t0 -132.13 95.33 3.64 Favored 'General case' 0 CA--C 1.541 0.614 0 C-N-CA 125.718 1.607 . . . . 10.0 110.368 175.442 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . 59.3 mt -134.43 132.12 54.85 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.715 0 C-N-CA 127.455 2.302 . . . . 10.0 108.124 -175.06 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 23.6 t0 -89.3 84.45 6.48 Favored 'General case' 0 CA--C 1.539 0.526 0 CA-C-O 121.981 0.896 . . . . 10.0 110.748 172.952 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 21' ' ' PHE . . . . . . . . . . . . . 54.0 m-85 -61.77 -42.64 99.24 Favored 'General case' 0 CA--C 1.541 0.607 0 C-N-CA 126.656 1.982 . . . . 10.0 111.509 171.09 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 132.2 152.37 7.06 Favored Glycine 0 CA--C 1.533 1.166 0 C-N-CA 128.257 2.837 . . . . 10.0 109.61 -169.786 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -41.05 -51.77 3.28 Favored 'General case' 0 CA--C 1.548 0.875 0 N-CA-C 116.071 1.878 . . . . 10.0 116.071 -169.624 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 37.9 tt0 -63.11 -50.3 71.04 Favored 'General case' 0 N--CA 1.475 0.811 0 C-N-CA 125.237 1.415 . . . . 10.0 112.802 176.758 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -66.27 -37.06 92.56 Favored Glycine 0 CA--C 1.535 1.3 0 C-N-CA 124.867 1.223 . . . . 10.0 114.262 178.451 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 83.9 m-20 -56.35 -51.29 68.82 Favored 'General case' 0 CA--C 1.536 0.417 0 C-N-CA 126.045 1.738 . . . . 10.0 110.433 174.58 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 87.5 mtm180 -59.93 -44.96 94.04 Favored 'General case' 0 N--CA 1.474 0.734 0 C-N-CA 125.08 1.352 . . . . 10.0 111.763 176.292 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 28' ' ' TYR . . . . . . . . . . . . . 77.9 t80 -58.88 -53.69 55.57 Favored 'General case' 0 CA--C 1.536 0.43 0 C-N-CA 123.603 0.761 . . . . 10.0 112.346 176.05 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 29' ' ' TYR . . . . . . . . . . . . . 77.4 t80 -56.44 -51.87 66.8 Favored 'General case' 0 CA--C 1.537 0.448 0 C-N-CA 124.13 0.972 . . . . 10.0 112.251 177.145 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -49.61 -36.71 25.12 Favored 'General case' 0 CA--C 1.546 0.81 0 C-N-CA 124.38 1.072 . . . . 10.0 113.866 176.858 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -86.56 -21.97 26.58 Favored 'General case' 0 CA--C 1.552 1.039 0 N-CA-C 115.235 1.568 . . . . 10.0 115.235 177.037 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 32' ' ' ASN . . . . . . . . . . . . . 55.7 m-80 -130.63 11.53 5.27 Favored 'General case' 0 N--CA 1.477 0.903 0 N-CA-C 116.435 2.013 . . . . 10.0 116.435 -169.24 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 33' ' ' TYR . . . . . . . . . . . . . 44.8 p90 -50.4 -31.22 14.29 Favored 'General case' 0 N--CA 1.476 0.855 0 C-N-CA 125.786 1.634 . . . . 10.0 115.194 -175.218 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 34' ' ' TRP . . . . . . . . . . . . . 65.5 p-90 -50.84 -33.85 25.41 Favored 'General case' 0 CA--C 1.545 0.776 0 C-N-CA 126.181 1.793 . . . . 10.0 114.402 175.007 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 32.8 mt-30 -68.89 -35.98 77.51 Favored 'General case' 0 N--CA 1.474 0.759 0 C-N-CA 124.42 1.088 . . . . 10.0 113.667 177.742 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 36' ' ' PHE . . . . . . . . . . . . . 64.5 m-85 -75.44 157.07 84.96 Favored Pre-proline 0 CA--C 1.545 0.766 0 C-N-CA 126.456 1.903 . . . . 10.0 113.872 -169.581 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 59.7 Cg_endo -73.49 160.79 43.77 Favored 'Trans proline' 0 CA--C 1.541 0.848 0 C-N-CA 123.039 2.493 . . . . 10.0 110.95 169.616 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 7.4 t70 -112.54 -36.13 5.33 Favored 'General case' 0 N--CA 1.475 0.782 0 C-N-CA 125.283 1.433 . . . . 10.0 111.061 172.986 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . -130.66 174.25 19.84 Favored Glycine 0 CA--C 1.534 1.239 0 C-N-CA 126.034 1.778 . . . . 10.0 111.621 169.651 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 40' ' ' ILE . . . . . . . . . . . . . 97.3 mt -138.23 126.01 29.34 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.691 0 C-N-CA 125.284 1.434 . . . . 10.0 108.342 175.178 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 41' ' ' TYR . . . . . . . . . . . . . 90.9 t80 -73.48 109.7 7.2 Favored 'General case' 0 CA--C 1.536 0.418 0 C-N-CA 125.275 1.43 . . . . 10.0 109.835 171.409 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 42' ' ' TYR . . . . . . . . . . . . . 49.4 t80 -151.54 149.83 29.65 Favored 'General case' 0 N--CA 1.474 0.733 0 CA-C-N 119.167 0.894 . . . . 10.0 112.385 -179.48 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 51.5 mt-10 -135.29 71.22 1.43 Allowed 'General case' 0 N--CA 1.474 0.741 0 C-N-CA 126.034 1.734 . . . . 10.0 110.81 -175.684 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . -79.51 -57.22 3.17 Favored Glycine 0 CA--C 1.532 1.116 0 C-N-CA 124.847 1.213 . . . . 10.0 113.564 -178.742 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 45' ' ' CYS . . . . . . . . . . . . . 25.0 m -62.52 142.25 58.04 Favored 'General case' 0 CA--C 1.541 0.627 0 C-N-CA 125.48 1.512 . . . . 10.0 114.029 -178.203 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 24.8 t -146.55 -52.52 0.23 Allowed 'General case' 0 N--CA 1.472 0.651 0 C-N-CA 126.273 1.829 . . . . 10.0 111.45 178.915 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 10.8 pt-20 -141.88 162.77 34.65 Favored 'General case' 0 CA--C 1.542 0.659 0 C-N-CA 126.253 1.821 . . . . 10.0 112.106 -179.441 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -52.49 -25.01 9.06 Favored 'General case' 0 CA--C 1.546 0.79 0 C-N-CA 126.503 1.921 . . . . 10.0 116.096 -174.309 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 68.2 m-20 -61.14 -32.13 71.84 Favored 'General case' 0 CA--C 1.546 0.813 0 C-N-CA 124.162 0.985 . . . . 10.0 113.331 172.535 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . 48.0 t -73.02 124.32 29.7 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.861 0 C-N-CA 124.762 1.225 . . . . 10.0 110.166 173.117 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 82.6 p -113.31 176.7 4.91 Favored 'General case' 0 N--CA 1.478 0.966 0 C-N-CA 125.775 1.63 . . . . 10.0 112.254 -177.733 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 84.3 tttt -58.69 -54.66 44.52 Favored 'General case' 0 N--CA 1.473 0.7 0 O-C-N 121.316 -0.865 . . . . 10.0 111.97 173.358 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 12.3 pt-20 -54.13 -37.44 64.36 Favored 'General case' 0 N--CA 1.474 0.742 0 N-CA-C 112.88 0.696 . . . . 10.0 112.88 179.306 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 54' ' ' MET . . . . . . . . . . . . . 93.7 mtp -62.61 -56.72 15.23 Favored 'General case' 0 CA--C 1.538 0.496 0 C-N-CA 123.211 0.605 . . . . 10.0 111.109 169.445 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 8.3 tt -54.98 -52.83 61.88 Favored 'General case' 0 CA--C 1.535 0.38 0 C-N-CA 124.989 1.315 . . . . 10.0 113.367 -177.124 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 43.6 t -59.69 -52.02 65.93 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.965 0 CA-C-N 119.504 1.047 . . . . 10.0 111.523 -173.24 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 57' ' ' THR . . . . . . . . . . . . . 87.8 m -59.67 -48.17 82.73 Favored 'General case' 0 N--CA 1.475 0.779 0 C-N-CA 124.431 1.092 . . . . 10.0 111.936 174.614 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 42.0 m -61.47 -38.86 88.77 Favored 'General case' 0 N--CA 1.474 0.729 0 C-N-CA 123.544 0.737 . . . . 10.0 112.773 178.388 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 59' ' ' CYS . . . . . . . . . . . . . 36.7 t -59.12 -50.07 75.46 Favored 'General case' 0 CA--C 1.535 0.403 0 C-N-CA 126.598 1.959 . . . . 10.0 112.231 172.898 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 60' ' ' VAL . . . . . . . . . . . . . 41.6 t -54.67 -49.52 67.18 Favored 'Isoleucine or valine' 0 N--CA 1.479 1.004 0 C-N-CA 124.013 0.925 . . . . 10.0 111.511 171.663 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 61' ' ' ASN . . . . . . . . . . . . . 16.9 m-80 -58.53 -45.3 89.14 Favored 'General case' 0 CA--C 1.544 0.746 0 C-N-CA 124.513 1.125 . . . . 10.0 113.146 175.795 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -61.69 -45.51 93.68 Favored 'General case' 0 CA--C 1.537 0.477 0 C-N-CA 124.093 0.957 . . . . 10.0 111.537 174.855 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 63' ' ' THR . . . . . . . . . . . . . 31.4 m -55.23 -49.13 72.76 Favored 'General case' 0 N--CA 1.472 0.654 0 C-N-CA 125.362 1.465 . . . . 10.0 111.547 176.112 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 64' ' ' GLN . . . . . . . . . . . . . 77.2 mt-30 -49.92 -59.65 3.66 Favored 'General case' 0 CA--C 1.539 0.529 0 C-N-CA 124.732 1.213 . . . . 10.0 111.836 171.0 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -56.3 -40.28 74.07 Favored 'General case' 0 CA--C 1.546 0.813 0 C-N-CA 125.685 1.594 . . . . 10.0 114.153 -179.707 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -71.59 -43.93 65.37 Favored 'General case' 0 CA--C 1.543 0.677 0 C-N-CA 125.3 1.44 . . . . 10.0 114.222 -179.816 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 67' ' ' ASN . . . . . . . . . . . . . 9.3 m-80 -113.38 39.52 2.59 Favored 'General case' 0 CA--C 1.545 0.781 0 C-N-CA 124.509 1.124 . . . . 10.0 112.288 -169.668 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 68' ' ' GLN . . . . . . . . . . . . . 16.9 mm-40 -51.05 -50.53 58.46 Favored 'General case' 0 N--CA 1.473 0.721 0 C-N-CA 126.224 1.809 . . . . 10.0 113.636 -174.189 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -54.28 -48.52 71.15 Favored 'General case' 0 CA--C 1.542 0.645 0 C-N-CA 124.909 1.284 . . . . 10.0 113.074 -177.792 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 16.4 mm-40 -55.63 -55.15 35.42 Favored 'General case' 0 N--CA 1.471 0.619 0 C-N-CA 124.887 1.275 . . . . 10.0 111.307 179.209 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 71' ' ' PHE . . . . . . . . . . . . . 33.2 m-85 -59.21 -49.42 77.93 Favored 'General case' 0 CA--C 1.535 0.385 0 C-N-CA 123.923 0.889 . . . . 10.0 112.264 176.147 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 70.7 m -53.95 -48.32 70.39 Favored 'General case' 0 N--CA 1.473 0.718 0 C-N-CA 125.127 1.371 . . . . 10.0 112.88 -178.92 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 73' ' ' ARG . . . . . . . . . . . . . 89.4 mmt-85 -63.47 -52.12 62.73 Favored 'General case' 0 N--CA 1.474 0.774 0 C-N-CA 124.564 1.145 . . . . 10.0 112.326 176.089 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 37.1 mm-40 -65.9 -59.41 3.88 Favored 'General case' 0 N--CA 1.472 0.629 0 C-N-CA 124.229 1.012 . . . . 10.0 113.573 -176.735 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 23.1 ttmm -43.95 -40.02 4.39 Favored 'General case' 0 N--CA 1.481 1.112 0 C-N-CA 127.896 2.478 . . . . 10.0 115.147 -169.84 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 76' ' ' GLN . . . . . . . . . . . . . 95.7 mm-40 -53.78 -33.55 56.26 Favored 'General case' 0 CA--C 1.546 0.796 0 C-N-CA 125.713 1.605 . . . . 10.0 114.343 179.156 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 31.8 t70 -135.49 -35.04 0.82 Allowed 'General case' 0 N--CA 1.476 0.865 0 C-N-CA 125.039 1.336 . . . . 10.0 114.034 -172.715 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -77.38 63.44 2.56 Favored 'General case' 0 CA--C 1.543 0.688 0 C-N-CA 127.316 2.246 . . . . 10.0 112.578 -173.521 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 88.3 tttt -49.74 -62.28 1.65 Allowed 'General case' 0 N--CA 1.475 0.796 0 C-N-CA 127.704 2.402 . . . . 10.0 113.206 -171.934 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 39.7 tp -63.32 -44.82 93.87 Favored 'General case' 0 CA--C 1.536 0.441 0 C-N-CA 124.671 1.189 . . . . 10.0 112.166 -179.576 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 81' ' ' HIS . . . . . . . . . . . . . 16.3 t-160 -50.86 -48.22 60.17 Favored 'General case' 0 N--CA 1.471 0.603 0 C-N-CA 123.763 0.825 . . . . 10.0 112.019 -177.927 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 82' ' ' GLN . . . . . . . . . . . . . 84.0 mm-40 -47.88 -55.69 9.26 Favored 'General case' 0 N--CA 1.471 0.624 0 C-N-CA 124.207 1.003 . . . . 10.0 112.638 175.955 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 83' ' ' ARG . . . . . . . . . . . . . 10.6 mpt_? -54.48 -53.95 47.46 Favored 'General case' 0 N--CA 1.48 1.042 0 C-N-CA 124.435 1.094 . . . . 10.0 111.568 -178.553 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 84' ' ' VAL . . . . . . . . . . . . . 16.3 t -59.91 -49.98 81.85 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.772 0 C-N-CA 125.372 1.469 . . . . 10.0 111.101 178.682 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 85' ' ' LEU . . . . . . . . . . . . . 48.1 tp -60.49 -47.25 86.95 Favored 'General case' 0 N--CA 1.47 0.53 0 C-N-CA 126.089 1.756 . . . . 10.0 113.092 179.881 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 86' ' ' TRP . . . . . . . . . . . . . 68.9 m95 -60.7 -41.89 96.08 Favored 'General case' 0 N--CA 1.468 0.425 0 O-C-N 121.431 -0.793 . . . . 10.0 112.869 174.748 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 87' ' ' ARG . . . . . . . . . . . . . 14.8 tpt180 -58.33 -47.5 83.56 Favored 'General case' 0 N--CA 1.472 0.657 0 CA-C-O 118.571 -0.728 . . . . 10.0 111.636 169.748 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 88' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -50.96 -56.39 12.63 Favored 'General case' 0 N--CA 1.474 0.754 0 C-N-CA 125.363 1.465 . . . . 10.0 111.705 174.518 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 89' ' ' ILE . . . . . . . . . . . . . 81.4 mt -54.42 -51.18 51.68 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.539 0 C-N-CA 125.743 1.617 . . . . 10.0 110.796 176.29 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 40.4 ttmt -58.22 -46.07 86.55 Favored 'General case' 0 N--CA 1.472 0.671 0 C-N-CA 124.665 1.186 . . . . 10.0 113.164 177.744 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 68.5 mm-40 -52.52 -51.92 57.16 Favored 'General case' 0 N--CA 1.471 0.608 0 CA-C-N 119.526 1.057 . . . . 10.0 111.57 172.007 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 92' ' ' ILE . . . . . . . . . . . . . 96.7 mt -55.85 -54.46 26.26 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.948 0 C-N-CA 123.906 0.882 . . . . 10.0 111.474 174.581 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 93' ' ' CYS . . . . . . . . . . . . . 84.3 m -56.99 -43.75 82.04 Favored 'General case' 0 CA--C 1.547 0.85 0 C-N-CA 124.742 1.217 . . . . 10.0 112.642 -179.797 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 21.9 t -64.4 -45.37 87.9 Favored 'General case' 0 N--CA 1.475 0.784 0 C-N-CA 126.118 1.767 . . . . 10.0 113.561 174.208 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . -58.76 -49.48 77.47 Favored 'General case' 0 CA--C 1.541 0.634 0 C-N-CA 125.364 1.466 . . . . 10.0 113.67 -174.442 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 96' ' ' LYS . . . . . . . . . . . . . 18.8 ptpt -61.77 139.19 58.36 Favored 'General case' 0 N--CA 1.477 0.904 0 C-N-CA 124.3 1.04 . . . . 10.0 112.373 177.34 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 97' ' ' HIS . . . . . . . . . . . . . 2.9 m-70 -134.21 170.1 16.19 Favored 'General case' 0 N--CA 1.478 0.928 0 C-N-CA 126.523 1.929 . . . . 10.0 111.405 -178.481 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 98' ' ' CYS . . . . . . . . . . . . . 56.3 m -125.01 137.96 54.23 Favored 'General case' 0 N--CA 1.47 0.536 0 C-N-CA 125.009 1.324 . . . . 10.0 112.397 -174.545 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 99' ' ' ASP . . . . . . . . . . . . . 31.8 t70 -57.03 -44.89 83.33 Favored 'General case' 0 N--CA 1.472 0.66 0 C-N-CA 125.658 1.583 . . . . 10.0 113.8 -172.883 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 100' ' ' PHE . . . . . . . . . . . . . 9.0 p90 -71.95 -11.93 61.01 Favored 'General case' 0 CA--C 1.544 0.742 0 N-CA-C 115.166 1.543 . . . . 10.0 115.166 -176.065 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 101' ' ' TRP . . . . . . . . . . . . . 40.6 m0 -57.16 129.04 39.99 Favored 'General case' 0 N--CA 1.474 0.74 0 CA-C-N 119.915 1.234 . . . . 10.0 112.247 -179.422 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 102' ' ' LEU . . . . . . . . . . . . . 4.3 pp -143.8 175.74 9.77 Favored 'General case' 0 CA--C 1.543 0.674 0 C-N-CA 126.913 2.085 . . . . 10.0 112.297 -169.636 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 39.2 tt0 -139.49 -74.21 0.37 Allowed 'General case' 0 N--CA 1.472 0.668 0 C-N-CA 124.855 1.262 . . . . 10.0 110.955 176.727 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 104' ' ' ARG . . . . . . . . . . . . . 40.5 ttm180 -70.15 136.7 50.38 Favored 'General case' 0 N--CA 1.475 0.793 0 C-N-CA 124.785 1.234 . . . . 10.0 111.171 175.037 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 105' ' ' GLY . . . . . . . . . . . . . . . -71.22 -59.14 5.15 Favored Glycine 0 CA--C 1.535 1.302 0 C-N-CA 124.714 1.15 . . . . 10.0 112.908 177.583 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 106' ' ' ALA . . . . . . . . . . . . . . . -64.84 127.2 30.56 Favored 'General case' 0 CA--C 1.546 0.825 0 C-N-CA 124.64 1.176 . . . . 10.0 112.352 177.928 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 107' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.253 1.268 0 C-N-CA 125.373 1.469 . . . . 10.0 112.939 175.559 . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' A' A ' 1' ' ' ARG . . . . . . . . . . . . . 54.6 ttp85 . . . . . 0 N--CA 1.488 1.459 0 N-CA-C 110.131 -0.322 . . . . 10.0 110.131 . . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' A' A ' 2' ' ' VAL . . . . . . . . . . . . . 65.1 t -68.51 115.75 7.46 Favored 'Isoleucine or valine' 0 N--CA 1.479 1.019 0 C-N-CA 123.784 0.834 . . . . 10.0 109.608 171.315 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -69.37 149.49 48.33 Favored 'General case' 0 CA--C 1.54 0.576 0 C-N-CA 123.979 0.911 . . . . 10.0 112.531 176.796 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 36.4 mp0 -64.49 133.63 52.83 Favored 'General case' 0 CA--C 1.538 0.482 0 C-N-CA 124.174 0.99 . . . . 10.0 110.337 169.75 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 5' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -73.49 62.12 0.73 Allowed 'General case' 0 CA--C 1.552 1.043 0 C-N-CA 124.351 1.061 . . . . 10.0 110.424 169.635 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 6.4 ptp180 -77.34 159.55 77.37 Favored Pre-proline 0 CA--C 1.543 0.702 0 C-N-CA 127.811 2.444 . . . . 10.0 111.342 178.384 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 7' ' ' PRO . . . . . . . . . . . . . 20.4 Cg_endo -55.69 120.94 9.08 Favored 'Trans proline' 0 CA--C 1.539 0.729 0 C-N-CA 122.618 2.212 . . . . 10.0 111.149 177.26 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . 118.96 -20.93 9.71 Favored Glycine 0 CA--C 1.539 1.555 0 C-N-CA 127.851 2.643 . . . . 10.0 113.418 -169.63 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -59.32 133.32 55.99 Favored 'General case' 0 CA--C 1.545 0.779 0 CA-C-N 119.433 1.616 . . . . 10.0 113.493 -171.072 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 10' ' ' PHE . . . . . . . . . . . . . 19.7 m-30 -58.35 141.25 51.81 Favored 'General case' 0 CA--C 1.541 0.631 0 C-N-CA 124.074 0.95 . . . . 10.0 111.929 170.775 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 55.6 mt -112.71 96.39 4.64 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.538 0 C-N-CA 125.643 1.577 . . . . 10.0 107.006 169.835 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 55.9 mtmt -92.47 118.46 30.99 Favored 'General case' 0 N--CA 1.472 0.656 0 C-N-CA 125.46 1.504 . . . . 10.0 110.245 -178.55 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 73.3 mt-30 -121.02 -43.61 2.44 Favored 'General case' 0 CA--C 1.539 0.546 0 C-N-CA 127.819 2.448 . . . . 10.0 111.526 -171.465 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . 85.21 55.22 2.66 Favored Glycine 0 CA--C 1.532 1.152 0 C-N-CA 125.968 1.747 . . . . 10.0 111.638 -171.055 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 51.3 ttm-85 -122.1 77.0 1.34 Allowed 'General case' 0 N--CA 1.471 0.584 0 C-N-CA 126.874 2.069 . . . . 10.0 109.269 -175.43 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 76.1 tttt -46.26 105.77 0.07 Allowed 'General case' 0 N--CA 1.475 0.793 0 C-N-CA 127.884 2.473 . . . . 10.0 112.752 -169.844 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 89.9 mt -77.63 171.79 14.39 Favored 'General case' 0 CA--C 1.543 0.679 0 C-N-CA 126.17 1.788 . . . . 10.0 112.878 -172.077 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 19.5 t0 -121.98 90.4 3.3 Favored 'General case' 0 CA--C 1.541 0.609 0 C-N-CA 125.898 1.679 . . . . 10.0 110.286 174.805 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . 74.8 mt -132.03 125.76 55.34 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.651 0 C-N-CA 127.355 2.262 . . . . 10.0 107.517 -179.78 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 24.6 t0 -83.76 83.69 7.83 Favored 'General case' 0 N--CA 1.469 0.516 0 CA-C-O 121.916 0.865 . . . . 10.0 110.432 172.143 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 21' ' ' PHE . . . . . . . . . . . . . 89.2 m-85 -60.95 -41.47 96.34 Favored 'General case' 0 CA--C 1.539 0.54 0 C-N-CA 126.487 1.915 . . . . 10.0 111.82 172.539 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 127.31 162.55 11.18 Favored Glycine 0 CA--C 1.533 1.216 0 C-N-CA 127.578 2.513 . . . . 10.0 110.469 -169.663 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -43.98 -54.86 5.05 Favored 'General case' 0 CA--C 1.546 0.812 0 N-CA-C 115.33 1.604 . . . . 10.0 115.33 -169.892 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 58.1 mt-10 -60.87 -52.13 66.36 Favored 'General case' 0 N--CA 1.474 0.736 0 C-N-CA 124.089 0.956 . . . . 10.0 111.864 177.809 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -66.97 -38.19 92.64 Favored Glycine 0 CA--C 1.528 0.849 0 C-N-CA 124.539 1.066 . . . . 10.0 114.149 -175.719 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 90.4 m-20 -56.61 -50.77 71.02 Favored 'General case' 0 CA--C 1.536 0.404 0 C-N-CA 125.485 1.514 . . . . 10.0 110.315 172.839 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 99.4 mtt180 -62.86 -47.26 84.11 Favored 'General case' 0 N--CA 1.475 0.82 0 C-N-CA 124.599 1.16 . . . . 10.0 111.395 177.938 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 28' ' ' TYR . . . . . . . . . . . . . 77.2 t80 -58.11 -53.59 56.5 Favored 'General case' 0 CA--C 1.538 0.507 0 C-N-CA 124.725 1.21 . . . . 10.0 112.296 177.731 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 29' ' ' TYR . . . . . . . . . . . . . 81.8 t80 -57.13 -51.43 69.33 Favored 'General case' 0 CA--C 1.535 0.382 0 C-N-CA 124.763 1.225 . . . . 10.0 112.153 175.846 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -50.28 -35.29 26.64 Favored 'General case' 0 CA--C 1.546 0.807 0 N-CA-C 113.794 1.035 . . . . 10.0 113.794 178.005 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -86.08 -29.76 23.12 Favored 'General case' 0 CA--C 1.552 1.032 0 C-N-CA 125.681 1.593 . . . . 10.0 115.118 175.739 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 32' ' ' ASN . . . . . . . . . . . . . 55.5 m-80 -123.61 10.9 9.12 Favored 'General case' 0 CA--C 1.548 0.891 0 N-CA-C 116.541 2.052 . . . . 10.0 116.541 -169.036 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 33' ' ' TYR . . . . . . . . . . . . . 45.9 p90 -48.05 -34.05 8.97 Favored 'General case' 0 N--CA 1.478 0.936 0 C-N-CA 126.448 1.899 . . . . 10.0 115.059 -176.602 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 34' ' ' TRP . . . . . . . . . . . . . 63.7 p-90 -50.14 -33.91 20.54 Favored 'General case' 0 CA--C 1.546 0.813 0 C-N-CA 126.017 1.727 . . . . 10.0 114.521 174.306 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 29.9 mt-30 -70.22 -37.7 75.07 Favored 'General case' 0 N--CA 1.473 0.691 0 C-N-CA 124.829 1.252 . . . . 10.0 113.789 177.103 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 36' ' ' PHE . . . . . . . . . . . . . 69.8 m-85 -72.8 156.11 90.17 Favored Pre-proline 0 CA--C 1.543 0.7 0 C-N-CA 126.04 1.736 . . . . 10.0 114.57 -169.468 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 90.5 Cg_endo -73.48 128.06 12.38 Favored 'Trans proline' 0 CA--C 1.539 0.755 0 C-N-CA 123.314 2.676 . . . . 10.0 110.355 169.503 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 9.7 m-20 -85.47 -32.68 22.13 Favored 'General case' 0 N--CA 1.472 0.632 0 C-N-CA 123.956 0.902 . . . . 10.0 111.003 173.312 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . -134.54 172.16 22.0 Favored Glycine 0 CA--C 1.536 1.402 0 C-N-CA 127.165 2.317 . . . . 10.0 110.917 169.448 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 40' ' ' ILE . . . . . . . . . . . . . 98.5 mt -136.39 124.71 35.76 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.83 0 C-N-CA 124.646 1.178 . . . . 10.0 108.906 175.112 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 41' ' ' TYR . . . . . . . . . . . . . 71.9 t80 -72.76 101.47 3.11 Favored 'General case' 0 CA--C 1.535 0.377 0 C-N-CA 124.958 1.303 . . . . 10.0 110.136 174.132 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 42' ' ' TYR . . . . . . . . . . . . . 59.9 t80 -152.78 145.78 24.53 Favored 'General case' 0 N--CA 1.469 0.492 0 C-N-CA 124.055 0.942 . . . . 10.0 111.592 176.551 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 50.6 mt-10 -128.0 86.56 2.49 Favored 'General case' 0 N--CA 1.47 0.532 0 C-N-CA 125.839 1.656 . . . . 10.0 110.238 -177.503 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . -103.23 37.84 3.52 Favored Glycine 0 CA--C 1.533 1.159 0 C-N-CA 125.075 1.321 . . . . 10.0 113.964 -176.687 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 45' ' ' CYS . . . . . . . . . . . . . 70.7 m -135.42 119.73 17.85 Favored 'General case' 0 CA--C 1.541 0.609 0 C-N-CA 125.772 1.629 . . . . 10.0 110.725 -176.287 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 38.7 p -136.87 -59.32 0.71 Allowed 'General case' 0 N--CA 1.472 0.642 0 C-N-CA 126.081 1.752 . . . . 10.0 112.146 178.639 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 12.0 pt-20 -147.1 158.79 44.05 Favored 'General case' 0 CA--C 1.542 0.667 0 C-N-CA 126.138 1.775 . . . . 10.0 112.908 -178.376 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -56.01 -19.72 13.75 Favored 'General case' 0 CA--C 1.546 0.824 0 N-CA-C 116.143 1.905 . . . . 10.0 116.143 -174.755 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 72.8 m-20 -61.96 -31.65 72.01 Favored 'General case' 0 CA--C 1.546 0.813 0 C-N-CA 123.979 0.912 . . . . 10.0 113.152 170.401 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . 47.1 t -70.28 130.35 34.59 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.865 0 C-N-CA 124.672 1.189 . . . . 10.0 109.898 170.477 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 73.5 p -112.72 170.85 7.9 Favored 'General case' 0 N--CA 1.477 0.903 0 C-N-CA 125.533 1.533 . . . . 10.0 111.532 -176.998 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 62.6 tttm -57.56 -54.55 45.53 Favored 'General case' 0 N--CA 1.473 0.718 0 O-C-N 121.619 -0.676 . . . . 10.0 112.189 176.803 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 12.8 pt-20 -53.0 -43.11 66.23 Favored 'General case' 0 CA--C 1.543 0.678 0 N-CA-C 113.009 0.744 . . . . 10.0 113.009 176.717 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 54' ' ' MET . . . . . . . . . . . . . 59.3 mtm -61.47 -44.98 96.13 Favored 'General case' 0 CA--C 1.538 0.508 0 C-N-CA 123.416 0.686 . . . . 10.0 112.826 171.925 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 3.0 tt -55.64 -59.55 4.69 Favored 'General case' 0 N--CA 1.47 0.569 0 CA-C-N 119.528 1.058 . . . . 10.0 111.358 173.656 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 18.5 t -54.25 -48.37 67.08 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.909 0 CA-C-N 119.364 0.984 . . . . 10.0 111.151 -177.543 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 57' ' ' THR . . . . . . . . . . . . . 57.9 m -61.3 -53.74 52.85 Favored 'General case' 0 N--CA 1.476 0.829 0 C-N-CA 124.942 1.297 . . . . 10.0 112.284 178.802 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 96.7 p -60.89 -36.94 80.53 Favored 'General case' 0 N--CA 1.472 0.673 0 O-C-N 121.491 -0.756 . . . . 10.0 112.642 177.915 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 59' ' ' CYS . . . . . . . . . . . . . 43.4 t -57.79 -51.35 69.94 Favored 'General case' 0 CA--C 1.536 0.441 0 C-N-CA 125.744 1.617 . . . . 10.0 112.646 170.843 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 60' ' ' VAL . . . . . . . . . . . . . 43.8 t -54.46 -49.11 67.86 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.071 0 CA-C-N 119.402 1.001 . . . . 10.0 111.466 172.29 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 61' ' ' ASN . . . . . . . . . . . . . 15.8 m-80 -59.45 -44.03 93.04 Favored 'General case' 0 CA--C 1.545 0.759 0 C-N-CA 124.155 0.982 . . . . 10.0 113.147 176.887 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -61.1 -49.15 78.47 Favored 'General case' 0 CA--C 1.539 0.549 0 C-N-CA 124.042 0.937 . . . . 10.0 111.11 173.823 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 63' ' ' THR . . . . . . . . . . . . . 33.1 m -52.95 -50.27 64.39 Favored 'General case' 0 N--CA 1.472 0.644 0 C-N-CA 125.779 1.632 . . . . 10.0 111.751 176.9 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 64' ' ' GLN . . . . . . . . . . . . . 79.6 mt-30 -48.36 -60.66 2.49 Favored 'General case' 0 CA--C 1.538 0.506 0 C-N-CA 125.433 1.493 . . . . 10.0 112.015 172.512 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -58.6 -38.65 78.43 Favored 'General case' 0 CA--C 1.546 0.815 0 C-N-CA 125.351 1.461 . . . . 10.0 114.165 -179.387 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -71.71 -38.61 70.5 Favored 'General case' 0 CA--C 1.542 0.659 0 N-CA-C 114.459 1.281 . . . . 10.0 114.459 179.68 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 67' ' ' ASN . . . . . . . . . . . . . 11.4 m-80 -117.82 40.14 3.19 Favored 'General case' 0 CA--C 1.546 0.811 0 C-N-CA 124.242 1.017 . . . . 10.0 112.411 -169.824 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 68' ' ' GLN . . . . . . . . . . . . . 37.8 mm-40 -48.96 -52.88 22.33 Favored 'General case' 0 N--CA 1.475 0.776 0 C-N-CA 126.394 1.878 . . . . 10.0 113.086 -179.69 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -53.18 -42.99 66.77 Favored 'General case' 0 CA--C 1.542 0.656 0 C-N-CA 125.222 1.409 . . . . 10.0 113.191 179.849 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 28.6 mm-40 -59.33 -58.68 7.54 Favored 'General case' 0 CA--C 1.537 0.444 0 C-N-CA 124.243 1.017 . . . . 10.0 110.725 175.473 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 71' ' ' PHE . . . . . . . . . . . . . 37.2 m-85 -58.32 -28.91 65.47 Favored 'General case' 0 CA--C 1.54 0.58 0 N-CA-C 114.468 1.284 . . . . 10.0 114.468 -178.956 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 72.7 m -62.32 -56.11 21.58 Favored 'General case' 0 N--CA 1.473 0.708 0 CA-C-N 119.105 0.866 . . . . 10.0 112.497 169.841 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 73' ' ' ARG . . . . . . . . . . . . . 68.4 mtm-85 -63.98 -58.6 6.22 Favored 'General case' 0 N--CA 1.478 0.934 0 C-N-CA 124.133 0.973 . . . . 10.0 112.556 178.808 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 54.9 mm-40 -74.49 43.67 0.19 Allowed 'General case' 0 CA--C 1.545 0.771 0 C-N-CA 128.688 2.795 . . . . 10.0 113.418 -169.418 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 41.6 ttmt -155.31 -62.47 0.12 Allowed 'General case' 0 N--CA 1.468 0.459 0 C-N-CA 129.582 3.153 . . . . 10.0 109.458 -173.747 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 76' ' ' GLN . . . . . . . . . . . . . 89.7 mm-40 -65.37 -52.79 51.24 Favored 'General case' 0 CA--C 1.54 0.558 0 C-N-CA 125.433 1.493 . . . . 10.0 111.472 173.617 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 25.1 t70 -71.5 -39.17 71.0 Favored 'General case' 0 CA--C 1.542 0.641 0 C-N-CA 124.181 0.993 . . . . 10.0 112.561 176.724 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 6.9 t -132.31 97.74 4.2 Favored 'General case' 0 N--CA 1.471 0.625 0 C-N-CA 124.599 1.159 . . . . 10.0 113.321 -175.676 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 88.1 tttt -60.39 -46.72 88.96 Favored 'General case' 0 N--CA 1.475 0.798 0 C-N-CA 125.942 1.697 . . . . 10.0 112.029 173.72 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -52.51 -49.51 64.65 Favored 'General case' 0 N--CA 1.472 0.67 0 C-N-CA 125.893 1.677 . . . . 10.0 111.145 177.736 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 81' ' ' HIS . . . . . . . . . . . . . 6.4 t-160 -51.42 -48.41 62.69 Favored 'General case' 0 N--CA 1.466 0.373 0 C-N-CA 125.591 1.556 . . . . 10.0 113.55 -170.691 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 82' ' ' GLN . . . . . . . . . . . . . 61.4 mm-40 -44.37 -60.84 1.75 Allowed 'General case' 0 N--CA 1.477 0.886 0 C-N-CA 125.055 1.342 . . . . 10.0 113.742 -178.011 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 83' ' ' ARG . . . . . . . . . . . . . 61.0 mtm180 -52.35 -51.75 57.11 Favored 'General case' 0 N--CA 1.479 1.001 0 C-N-CA 124.572 1.149 . . . . 10.0 112.223 -178.129 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 84' ' ' VAL . . . . . . . . . . . . . 3.4 t -59.71 -54.2 37.91 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.721 0 C-N-CA 125.893 1.677 . . . . 10.0 110.969 178.026 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 85' ' ' LEU . . . . . . . . . . . . . 33.8 tp -56.11 -51.75 66.79 Favored 'General case' 0 CA--C 1.536 0.406 0 C-N-CA 126.126 1.77 . . . . 10.0 112.312 -179.832 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 86' ' ' TRP . . . . . . . . . . . . . 58.6 m95 -59.48 -43.43 93.29 Favored 'General case' 0 N--CA 1.467 0.422 0 N-CA-C 113.446 0.906 . . . . 10.0 113.446 175.952 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 87' ' ' ARG . . . . . . . . . . . . . 14.4 tpt180 -56.67 -50.57 71.7 Favored 'General case' 0 N--CA 1.472 0.654 0 CA-C-N 118.864 0.756 . . . . 10.0 111.297 171.538 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 88' ' ' LEU . . . . . . . . . . . . . 1.2 tt -57.13 -52.79 63.88 Favored 'General case' 0 CA--C 1.544 0.736 0 C-N-CA 124.392 1.077 . . . . 10.0 112.011 177.573 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 89' ' ' ILE . . . . . . . . . . . . . 84.2 mt -49.94 -51.35 16.85 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.733 0 C-N-CA 124.86 1.264 . . . . 10.0 110.519 172.998 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 85.4 tttt -59.56 -46.44 88.9 Favored 'General case' 0 N--CA 1.471 0.585 0 CA-C-O 118.004 -0.998 . . . . 10.0 113.224 177.104 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 59.4 mm-40 -52.88 -50.68 63.36 Favored 'General case' 0 N--CA 1.474 0.774 0 CA-C-N 120.16 1.345 . . . . 10.0 111.811 172.33 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 92' ' ' ILE . . . . . . . . . . . . . 96.1 mt -57.54 -56.08 17.41 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.869 0 C-N-CA 124.225 1.01 . . . . 10.0 111.349 174.309 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 93' ' ' CYS . . . . . . . . . . . . . 68.9 m -57.3 -40.15 77.24 Favored 'General case' 0 CA--C 1.548 0.873 0 C-N-CA 124.701 1.2 . . . . 10.0 112.678 -179.774 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 16.1 t -64.06 -40.22 95.8 Favored 'General case' 0 N--CA 1.474 0.743 0 C-N-CA 126.445 1.898 . . . . 10.0 113.596 173.368 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . -59.15 -34.69 72.38 Favored 'General case' 0 CA--C 1.544 0.742 0 C-N-CA 124.001 0.92 . . . . 10.0 113.193 176.928 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 96' ' ' LYS . . . . . . . . . . . . . 28.1 mttm -55.59 130.25 42.23 Favored 'General case' 0 N--CA 1.478 0.969 0 C-N-CA 125.036 1.334 . . . . 10.0 111.949 177.573 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 97' ' ' HIS . . . . . 0.448 ' HA ' ' CZ3' ' A' ' 101' ' ' TRP . 26.6 m80 -131.88 154.5 49.14 Favored 'General case' 0 N--CA 1.473 0.722 0 C-N-CA 125.753 1.621 . . . . 10.0 111.908 175.181 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 98' ' ' CYS . . . . . . . . . . . . . 37.7 m -110.54 132.69 53.97 Favored 'General case' 0 CA--C 1.539 0.556 0 C-N-CA 124.934 1.294 . . . . 10.0 111.04 173.579 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 99' ' ' ASP . . . . . . . . . . . . . 32.2 t70 -58.29 -39.04 78.25 Favored 'General case' 0 N--CA 1.474 0.729 0 C-N-CA 124.835 1.254 . . . . 10.0 113.433 -177.801 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 100' ' ' PHE . . . . . . . . . . . . . 5.3 p90 -68.26 -11.32 59.18 Favored 'General case' 0 CA--C 1.545 0.769 0 N-CA-C 115.492 1.664 . . . . 10.0 115.492 -178.458 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 101' ' ' TRP . . . . . 0.448 ' CZ3' ' HA ' ' A' ' 97' ' ' HIS . 33.2 m0 -59.4 118.37 5.92 Favored 'General case' 0 N--CA 1.472 0.638 0 CA-C-N 120.038 1.29 . . . . 10.0 112.7 -177.993 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 102' ' ' LEU . . . . . . . . . . . . . 51.2 mt -81.8 150.91 27.64 Favored 'General case' 0 CA--C 1.54 0.566 0 C-N-CA 126.004 1.722 . . . . 10.0 111.289 -177.964 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 45.9 mt-10 -70.17 -55.12 10.16 Favored 'General case' 0 N--CA 1.474 0.738 0 C-N-CA 123.764 0.825 . . . . 10.0 111.488 175.881 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 104' ' ' ARG . . . . . . . . . . . . . 90.6 mmt-85 -141.9 -59.31 0.47 Allowed 'General case' 0 N--CA 1.477 0.911 0 C-N-CA 126.822 2.049 . . . . 10.0 110.865 176.1 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 105' ' ' GLY . . . . . . . . . . . . . . . -176.48 -164.22 30.16 Favored Glycine 0 CA--C 1.535 1.329 0 C-N-CA 126.057 1.789 . . . . 10.0 112.444 178.473 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 106' ' ' ALA . . . . . . . . . . . . . . . -64.49 151.08 45.33 Favored 'General case' 0 CA--C 1.547 0.861 0 C-N-CA 124.352 1.061 . . . . 10.0 112.875 176.558 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 107' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.252 1.219 0 C-N-CA 126.596 1.959 . . . . 10.0 112.086 179.549 . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' A' A ' 1' ' ' ARG . . . . . . . . . . . . . 80.1 mtp85 . . . . . 0 N--CA 1.49 1.565 0 CA-C-O 118.939 -0.553 . . . . 10.0 109.707 . . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' A' A ' 2' ' ' VAL . . . . . . . . . . . . . 13.6 p -69.32 138.9 21.3 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.055 0 CA-C-N 119.541 1.064 . . . . 10.0 111.169 172.006 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -81.41 114.12 19.95 Favored 'General case' 0 CA--C 1.54 0.589 0 C-N-CA 123.739 0.816 . . . . 10.0 111.167 172.598 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 46.0 mt-10 -70.99 129.59 39.4 Favored 'General case' 0 N--CA 1.469 0.508 0 N-CA-C 109.301 -0.629 . . . . 10.0 109.301 169.551 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 5' ' ' ASN . . . . . . . . . . . . . 55.1 t30 -73.4 69.95 1.2 Allowed 'General case' 0 CA--C 1.549 0.911 0 C-N-CA 124.643 1.177 . . . . 10.0 112.259 -176.849 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 15.4 ptt-85 -78.46 150.84 77.11 Favored Pre-proline 0 N--CA 1.474 0.737 0 C-N-CA 128.156 2.582 . . . . 10.0 111.977 176.683 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 7' ' ' PRO . . . . . . . . . . . . . 45.7 Cg_endo -61.51 118.49 5.37 Favored 'Trans proline' 0 CA--C 1.539 0.728 0 C-N-CA 122.53 2.153 . . . . 10.0 110.14 175.208 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . 113.77 -10.68 23.29 Favored Glycine 0 CA--C 1.539 1.539 0 C-N-CA 126.515 2.007 . . . . 10.0 113.94 -169.779 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -62.26 130.77 46.88 Favored 'General case' 0 CA--C 1.544 0.738 0 CA-C-N 119.602 1.701 . . . . 10.0 112.067 -179.633 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 10' ' ' PHE . . . . . . . . . . . . . 28.2 m-85 -62.27 151.42 36.47 Favored 'General case' 0 CA--C 1.54 0.559 0 C-N-CA 123.466 0.706 . . . . 10.0 112.073 172.988 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 71.8 mt -121.14 115.45 46.76 Favored 'Isoleucine or valine' 0 C--O 1.236 0.368 0 N-CA-C 106.594 -1.632 . . . . 10.0 106.594 169.612 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 57.4 mtmt -117.6 85.83 2.41 Favored 'General case' 0 N--CA 1.471 0.612 0 C-N-CA 126.282 1.833 . . . . 10.0 109.767 -175.514 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 35.8 mt-30 -76.82 -30.9 56.57 Favored 'General case' 0 CA--C 1.541 0.599 0 C-N-CA 126.518 1.927 . . . . 10.0 111.15 171.664 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . 87.47 62.56 1.47 Allowed Glycine 0 CA--C 1.529 0.964 0 C-N-CA 125.314 1.435 . . . . 10.0 110.229 -174.915 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 37.3 ttp85 -128.39 106.87 9.3 Favored 'General case' 0 N--CA 1.47 0.552 0 C-N-CA 126.865 2.066 . . . . 10.0 110.262 -169.703 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 75.4 tttt -69.87 104.96 2.63 Favored 'General case' 0 N--CA 1.473 0.693 0 C-N-CA 125.68 1.592 . . . . 10.0 110.761 -178.172 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 86.8 mt -75.14 173.7 10.42 Favored 'General case' 0 CA--C 1.543 0.709 0 C-N-CA 125.724 1.61 . . . . 10.0 112.812 -177.449 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 19.5 t0 -126.2 93.32 3.78 Favored 'General case' 0 CA--C 1.541 0.628 0 C-N-CA 125.852 1.661 . . . . 10.0 110.087 172.758 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . 88.7 mt -132.62 134.52 58.61 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.719 0 C-N-CA 127.44 2.296 . . . . 10.0 108.34 -179.121 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 24.4 t0 -85.23 102.43 13.32 Favored 'General case' 0 CA--C 1.538 0.508 0 CA-C-O 121.727 0.775 . . . . 10.0 109.594 169.361 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 21' ' ' PHE . . . . . . . . . . . . . 74.0 m-85 -81.9 -31.42 31.42 Favored 'General case' 0 CA--C 1.542 0.637 0 C-N-CA 126.907 2.083 . . . . 10.0 111.774 170.363 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 119.18 155.45 9.8 Favored Glycine 0 CA--C 1.533 1.184 0 C-N-CA 127.849 2.643 . . . . 10.0 109.754 -169.554 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -41.33 -56.08 2.55 Favored 'General case' 0 CA--C 1.548 0.891 0 N-CA-C 115.546 1.684 . . . . 10.0 115.546 -169.695 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 40.3 tt0 -60.72 -46.8 89.03 Favored 'General case' 0 CA--C 1.544 0.729 0 C-N-CA 125.026 1.33 . . . . 10.0 112.433 178.464 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -68.38 -40.19 87.13 Favored Glycine 0 CA--C 1.533 1.177 0 C-N-CA 125.258 1.408 . . . . 10.0 114.249 179.582 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 92.2 m-20 -55.25 -49.61 71.58 Favored 'General case' 0 CA--C 1.535 0.383 0 C-N-CA 126.253 1.821 . . . . 10.0 110.436 173.897 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 94.4 mtt-85 -60.46 -45.81 92.36 Favored 'General case' 0 N--CA 1.474 0.749 0 C-N-CA 124.845 1.258 . . . . 10.0 111.769 175.917 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 28' ' ' TYR . . . . . . . . . . . . . 73.4 t80 -59.7 -53.37 58.73 Favored 'General case' 0 CA--C 1.536 0.442 0 C-N-CA 123.945 0.898 . . . . 10.0 112.343 177.805 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 29' ' ' TYR . . . . . . . . . . . . . 79.5 t80 -56.05 -52.72 63.25 Favored 'General case' 0 CA--C 1.535 0.386 0 C-N-CA 124.145 0.978 . . . . 10.0 112.006 175.494 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -50.45 -32.8 18.88 Favored 'General case' 0 CA--C 1.546 0.809 0 N-CA-C 114.209 1.188 . . . . 10.0 114.209 178.686 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -88.75 -28.63 20.38 Favored 'General case' 0 CA--C 1.551 1.003 0 C-N-CA 125.741 1.616 . . . . 10.0 115.068 176.236 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 32' ' ' ASN . . . . . . . . . . . . . 55.7 m-80 -122.97 7.63 9.28 Favored 'General case' 0 CA--C 1.549 0.911 0 N-CA-C 116.289 1.959 . . . . 10.0 116.289 -169.101 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 33' ' ' TYR . . . . . . . . . . . . . 45.6 p90 -45.57 -34.21 3.23 Favored 'General case' 0 N--CA 1.476 0.859 0 C-N-CA 127.417 2.287 . . . . 10.0 115.505 -176.589 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 34' ' ' TRP . . . . . . . . . . . . . 63.3 p-90 -51.94 -34.31 41.35 Favored 'General case' 0 CA--C 1.546 0.8 0 C-N-CA 126.012 1.725 . . . . 10.0 114.497 175.532 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 31.1 mt-30 -67.84 -42.53 81.29 Favored 'General case' 0 N--CA 1.475 0.799 0 C-N-CA 124.21 1.004 . . . . 10.0 112.833 176.225 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 36' ' ' PHE . . . . . . . . . . . . . 76.4 m-85 -69.97 154.61 94.51 Favored Pre-proline 0 CA--C 1.542 0.663 0 C-N-CA 126.547 1.939 . . . . 10.0 114.086 -169.741 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 65.8 Cg_endo -72.9 153.13 52.85 Favored 'Trans proline' 0 CA--C 1.539 0.77 0 C-N-CA 123.024 2.482 . . . . 10.0 109.835 169.021 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 4.1 p30 -115.49 -29.04 6.63 Favored 'General case' 0 N--CA 1.474 0.729 0 C-N-CA 123.9 0.88 . . . . 10.0 111.492 169.882 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . -122.91 166.55 15.29 Favored Glycine 0 CA--C 1.539 1.558 0 C-N-CA 125.477 1.513 . . . . 10.0 110.907 168.36 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 40' ' ' ILE . . . . . . . . . . . . . 97.3 mt -138.71 125.41 25.47 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.956 0 C-N-CA 125.041 1.337 . . . . 10.0 108.492 171.941 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 41' ' ' TYR . . . . . . . . . . . . . 89.7 t80 -74.37 117.18 15.89 Favored 'General case' 0 CA--C 1.536 0.433 0 C-N-CA 124.262 1.025 . . . . 10.0 110.001 169.933 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 42' ' ' TYR . . . . . . . . . . . . . 67.8 t80 -152.9 156.24 38.58 Favored 'General case' 0 CA--C 1.542 0.64 0 C-N-CA 124.715 1.206 . . . . 10.0 111.408 179.591 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 46.5 mt-10 -124.8 95.46 4.52 Favored 'General case' 0 CA--C 1.539 0.546 0 C-N-CA 125.826 1.65 . . . . 10.0 110.072 -177.568 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . -104.91 -64.76 0.66 Allowed Glycine 0 CA--C 1.53 0.997 0 C-N-CA 125.225 1.393 . . . . 10.0 113.838 -170.897 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 45' ' ' CYS . . . . . . . . . . . . . 64.8 m -57.62 117.37 4.13 Favored 'General case' 0 CA--C 1.544 0.748 0 C-N-CA 125.264 1.426 . . . . 10.0 112.001 -178.103 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 23.3 t -140.76 -60.19 0.51 Allowed 'General case' 0 N--CA 1.472 0.64 0 C-N-CA 125.594 1.558 . . . . 10.0 111.981 -175.488 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 11.2 pt-20 -142.53 156.58 45.14 Favored 'General case' 0 N--CA 1.472 0.638 0 C-N-CA 125.074 1.35 . . . . 10.0 112.716 178.963 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -51.84 -31.82 29.27 Favored 'General case' 0 CA--C 1.544 0.721 0 C-N-CA 126.261 1.825 . . . . 10.0 115.265 -175.683 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 79.3 m-20 -64.36 -29.37 70.45 Favored 'General case' 0 CA--C 1.544 0.732 0 C-N-CA 124.767 1.227 . . . . 10.0 113.63 177.737 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . 64.5 t -65.19 111.3 1.3 Allowed 'Isoleucine or valine' 0 N--CA 1.477 0.879 0 C-N-CA 124.498 1.119 . . . . 10.0 109.175 172.365 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 72.3 p -85.0 174.84 9.44 Favored 'General case' 0 N--CA 1.479 1.019 0 C-N-CA 124.545 1.138 . . . . 10.0 112.029 175.187 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 88.2 tttt -60.57 -51.16 70.61 Favored 'General case' 0 N--CA 1.475 0.781 0 O-C-N 121.208 -0.932 . . . . 10.0 110.333 169.488 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 2.3 mp0 -47.51 -50.25 23.89 Favored 'General case' 0 CA--C 1.538 0.483 0 C-N-CA 125.097 1.359 . . . . 10.0 111.792 176.276 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 54' ' ' MET . . . . . . . . . . . . . 95.7 mtp -56.55 -58.78 6.57 Favored 'General case' 0 CA--C 1.536 0.432 0 C-N-CA 124.32 1.048 . . . . 10.0 112.336 171.216 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 6.9 tt -56.62 -54.09 50.05 Favored 'General case' 0 N--CA 1.468 0.442 0 C-N-CA 123.965 0.906 . . . . 10.0 112.32 -174.192 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 62.7 t -56.58 -48.32 80.65 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.779 0 C-N-CA 125.672 1.589 . . . . 10.0 111.053 179.803 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 57' ' ' THR . . . . . . . . . . . . . 87.8 m -60.08 -51.44 69.61 Favored 'General case' 0 N--CA 1.478 0.95 0 C-N-CA 124.355 1.062 . . . . 10.0 111.862 176.459 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 69.5 m -60.21 -36.3 77.37 Favored 'General case' 0 N--CA 1.469 0.52 0 C-N-CA 124.204 1.002 . . . . 10.0 112.845 176.58 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 59' ' ' CYS . . . . . . . . . . . . . 28.7 t -59.07 -50.2 74.97 Favored 'General case' 0 CA--C 1.539 0.521 0 C-N-CA 125.163 1.385 . . . . 10.0 112.648 170.751 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 60' ' ' VAL . . . . . . . . . . . . . 47.1 t -55.2 -49.35 72.9 Favored 'Isoleucine or valine' 0 N--CA 1.479 1.003 0 C-N-CA 123.818 0.847 . . . . 10.0 111.24 172.33 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 61' ' ' ASN . . . . . . . . . . . . . 15.7 m-80 -59.32 -44.0 92.62 Favored 'General case' 0 CA--C 1.545 0.759 0 C-N-CA 124.4 1.08 . . . . 10.0 113.103 176.5 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -61.48 -47.55 85.16 Favored 'General case' 0 CA--C 1.536 0.427 0 C-N-CA 124.151 0.981 . . . . 10.0 111.212 174.74 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 63' ' ' THR . . . . . . . . . . . . . 27.1 m -54.89 -48.98 72.3 Favored 'General case' 0 N--CA 1.472 0.669 0 C-N-CA 124.963 1.305 . . . . 10.0 111.513 175.465 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 64' ' ' GLN . . . . . . . . . . . . . 77.1 mt-30 -51.52 -64.11 0.92 Allowed 'General case' 0 CA--C 1.538 0.506 0 C-N-CA 124.813 1.245 . . . . 10.0 111.5 170.687 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -51.58 -44.02 62.65 Favored 'General case' 0 CA--C 1.544 0.75 0 C-N-CA 126.073 1.749 . . . . 10.0 113.882 -177.994 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -66.87 -28.62 68.48 Favored 'General case' 0 CA--C 1.543 0.685 0 C-N-CA 125.136 1.374 . . . . 10.0 114.381 177.652 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 67' ' ' ASN . . . . . . . . . . . . . 18.6 m-80 -132.12 38.32 3.51 Favored 'General case' 0 CA--C 1.547 0.832 0 CA-C-N 119.641 1.11 . . . . 10.0 113.117 -170.435 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 68' ' ' GLN . . . . . . . . . . . . . 16.4 mm-40 -54.38 -52.85 60.38 Favored 'General case' 0 N--CA 1.475 0.805 0 C-N-CA 125.025 1.33 . . . . 10.0 113.008 -173.162 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -57.9 -46.56 84.75 Favored 'General case' 0 CA--C 1.543 0.681 0 C-N-CA 124.728 1.211 . . . . 10.0 112.741 178.99 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 33.8 mm-40 -54.27 -48.52 71.12 Favored 'General case' 0 N--CA 1.472 0.67 0 C-N-CA 125.085 1.354 . . . . 10.0 111.697 -179.942 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 71' ' ' PHE . . . . . . . . . . . . . 52.7 m-85 -64.01 -61.14 2.46 Favored 'General case' 0 CA--C 1.536 0.433 0 C-N-CA 123.598 0.759 . . . . 10.0 111.877 171.183 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 70.2 m -52.11 -47.49 65.28 Favored 'General case' 0 N--CA 1.474 0.757 0 C-N-CA 125.95 1.7 . . . . 10.0 114.584 -169.816 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 73' ' ' ARG . . . . . . . . . . . . . 29.8 mmt85 -60.81 -47.6 85.62 Favored 'General case' 0 N--CA 1.476 0.842 0 C-N-CA 124.512 1.125 . . . . 10.0 112.466 -179.953 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 14.5 mt-10 -68.52 -46.69 68.88 Favored 'General case' 0 N--CA 1.471 0.599 0 C-N-CA 123.89 0.876 . . . . 10.0 113.341 175.474 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 40.2 ttpt -45.31 -31.53 1.63 Allowed 'General case' 0 N--CA 1.481 1.122 0 C-N-CA 127.844 2.457 . . . . 10.0 115.093 -175.243 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 76' ' ' GLN . . . . . . . . . . . . . 77.6 mm-40 -51.71 -35.14 41.79 Favored 'General case' 0 CA--C 1.545 0.77 0 C-N-CA 125.589 1.556 . . . . 10.0 113.828 174.921 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 31.8 t70 -136.72 -36.78 0.69 Allowed 'General case' 0 N--CA 1.475 0.775 0 C-N-CA 125.633 1.573 . . . . 10.0 114.029 -173.504 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -77.42 53.68 1.07 Allowed 'General case' 0 CA--C 1.547 0.829 0 C-N-CA 127.363 2.265 . . . . 10.0 113.309 -171.176 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 16.4 tppt? -56.75 -51.38 69.09 Favored 'General case' 0 N--CA 1.476 0.831 0 C-N-CA 126.514 1.926 . . . . 10.0 112.969 -174.22 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 38.2 tp -57.44 -45.39 84.74 Favored 'General case' 0 N--CA 1.469 0.507 0 C-N-CA 124.38 1.072 . . . . 10.0 111.828 175.326 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 81' ' ' HIS . . . . . . . . . . . . . 14.1 t-160 -56.86 -53.45 57.74 Favored 'General case' 0 N--CA 1.469 0.505 0 CA-C-O 118.185 -0.912 . . . . 10.0 111.35 175.049 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 82' ' ' GLN . . . . . . . . . . . . . 95.6 mm-40 -48.93 -56.41 8.93 Favored 'General case' 0 N--CA 1.473 0.691 0 C-N-CA 124.432 1.093 . . . . 10.0 112.071 176.093 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 83' ' ' ARG . . . . . . . . . . . . . 51.4 mtp180 -48.21 -57.14 6.34 Favored 'General case' 0 N--CA 1.479 1.023 0 C-N-CA 125.491 1.516 . . . . 10.0 112.735 178.277 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 84' ' ' VAL . . . . . . . . . . . . . 56.3 t -61.73 -51.48 72.16 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.872 0 C-N-CA 125.611 1.565 . . . . 10.0 111.237 178.834 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 85' ' ' LEU . . . . . . . . . . . . . 49.5 tp -55.71 -47.55 76.67 Favored 'General case' 0 N--CA 1.469 0.502 0 C-N-CA 126.203 1.801 . . . . 10.0 112.813 -179.495 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 86' ' ' TRP . . . . . . . . . . . . . 63.2 m95 -62.17 -43.38 98.95 Favored 'General case' 0 N--CA 1.468 0.439 0 N-CA-C 113.786 1.032 . . . . 10.0 113.786 176.7 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 87' ' ' ARG . . . . . . . . . . . . . 24.2 tpt180 -55.45 -46.81 76.76 Favored 'General case' 0 N--CA 1.479 0.979 0 C-N-CA 123.836 0.855 . . . . 10.0 111.467 170.204 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 88' ' ' LEU . . . . . . . . . . . . . 1.9 tt -57.47 -57.14 13.99 Favored 'General case' 0 CA--C 1.546 0.796 0 C-N-CA 124.712 1.205 . . . . 10.0 112.087 174.781 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 89' ' ' ILE . . . . . . . . . . . . . 86.9 mt -50.88 -49.16 27.6 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.818 0 C-N-CA 125.038 1.335 . . . . 10.0 110.913 176.167 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 24.1 tptm -58.23 -45.96 86.8 Favored 'General case' 0 N--CA 1.47 0.539 0 C-N-CA 124.344 1.058 . . . . 10.0 112.905 176.971 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 21.4 mm-40 -56.58 -47.27 79.93 Favored 'General case' 0 N--CA 1.473 0.681 0 CA-C-N 119.624 1.102 . . . . 10.0 112.579 172.433 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 92' ' ' ILE . . . . . . . . . . . . . 97.4 mt -56.22 -54.12 31.48 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.922 0 C-N-CA 123.731 0.813 . . . . 10.0 110.997 172.987 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 93' ' ' CYS . . . . . . . . . . . . . 93.5 m -58.23 -46.43 85.92 Favored 'General case' 0 CA--C 1.545 0.76 0 C-N-CA 123.752 0.821 . . . . 10.0 112.351 179.031 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 21.6 t -52.65 -41.53 63.86 Favored 'General case' 0 N--CA 1.476 0.855 0 C-N-CA 125.724 1.61 . . . . 10.0 113.472 175.567 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . -60.87 -27.01 67.81 Favored 'General case' 0 CA--C 1.548 0.903 0 N-CA-C 114.229 1.196 . . . . 10.0 114.229 177.994 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 96' ' ' LYS . . . . . . . . . . . . . 43.2 mttm -69.05 106.26 2.72 Favored 'General case' 0 N--CA 1.475 0.823 0 C-N-CA 125.266 1.426 . . . . 10.0 111.559 -177.887 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 97' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -123.64 148.51 46.38 Favored 'General case' 0 N--CA 1.469 0.511 0 C-N-CA 126.291 1.836 . . . . 10.0 114.132 -173.978 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 98' ' ' CYS . . . . . . . . . . . . . 32.8 m -113.83 135.32 54.09 Favored 'General case' 0 N--CA 1.47 0.551 0 C-N-CA 124.615 1.166 . . . . 10.0 112.429 -177.289 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 99' ' ' ASP . . . . . . . . . . . . . 32.9 t70 -59.58 -38.65 81.77 Favored 'General case' 0 CA--C 1.542 0.652 0 C-N-CA 125.021 1.328 . . . . 10.0 113.063 177.536 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 100' ' ' PHE . . . . . . . . . . . . . 5.8 p90 -66.74 -15.23 63.4 Favored 'General case' 0 CA--C 1.543 0.695 0 N-CA-C 115.534 1.679 . . . . 10.0 115.534 -176.631 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 101' ' ' TRP . . . . . . . . . . . . . 31.4 m0 -57.82 129.07 40.24 Favored 'General case' 0 N--CA 1.473 0.675 0 CA-C-N 120.02 1.282 . . . . 10.0 114.035 -174.114 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 102' ' ' LEU . . . . . . . . . . . . . 2.3 pt? -146.98 179.09 7.85 Favored 'General case' 0 CA--C 1.545 0.759 0 C-N-CA 128.014 2.526 . . . . 10.0 111.369 -177.611 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 39.4 tt0 -63.08 121.1 12.77 Favored 'General case' 0 CA--C 1.546 0.792 0 C-N-CA 124.032 0.933 . . . . 10.0 111.525 170.437 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 104' ' ' ARG . . . . . . . . . . . . . 9.1 mmm180 -134.75 151.92 51.36 Favored 'General case' 0 N--CA 1.477 0.924 0 C-N-CA 126.277 1.831 . . . . 10.0 111.797 -179.727 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 105' ' ' GLY . . . . . . . . . . . . . . . 179.46 -176.72 47.9 Favored Glycine 0 CA--C 1.536 1.377 0 C-N-CA 125.731 1.634 . . . . 10.0 113.177 -179.404 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 106' ' ' ALA . . . . . . . . . . . . . . . -147.35 163.52 36.19 Favored 'General case' 0 CA--C 1.548 0.87 0 C-N-CA 126.216 1.806 . . . . 10.0 111.698 176.928 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 107' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.253 1.247 0 C-N-CA 126.404 1.882 . . . . 10.0 112.132 178.962 . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' A' A ' 1' ' ' ARG . . . . . . . . . . . . . 9.6 ptm180 . . . . . 0 N--CA 1.49 1.563 0 N-CA-C 111.395 0.146 . . . . 10.0 111.395 . . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' A' A ' 2' ' ' VAL . . . . . . . . . . . . . 7.2 p -62.8 148.75 10.76 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.056 0 C-N-CA 124.398 1.079 . . . . 10.0 111.909 174.587 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -143.24 -176.0 4.75 Favored 'General case' 0 CA--C 1.545 0.762 0 C-N-CA 125.475 1.51 . . . . 10.0 112.272 -178.19 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 13.0 pt-20 -66.84 -15.44 63.62 Favored 'General case' 0 N--CA 1.475 0.798 0 C-N-CA 126.055 1.742 . . . . 10.0 113.966 172.48 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 5' ' ' ASN . . . . . . . . . . . . . 1.0 OUTLIER -121.92 59.56 0.99 Allowed 'General case' 0 CA--C 1.544 0.735 0 C-N-CA 126.327 1.851 . . . . 10.0 109.03 177.845 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 24.8 ptt-85 -86.4 146.37 41.95 Favored Pre-proline 0 N--CA 1.474 0.773 0 C-N-CA 127.925 2.49 . . . . 10.0 112.069 176.869 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 7' ' ' PRO . . . . . . . . . . . . . 73.4 Cg_exo -49.12 117.59 2.94 Favored 'Trans proline' 0 CA--C 1.54 0.799 0 C-N-CA 123.789 2.993 . . . . 10.0 113.087 176.42 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . 115.44 -20.37 13.82 Favored Glycine 0 CA--C 1.538 1.478 0 C-N-CA 127.252 2.358 . . . . 10.0 113.968 -170.681 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -59.86 134.99 57.55 Favored 'General case' 0 CA--C 1.544 0.732 0 CA-C-N 119.505 1.652 . . . . 10.0 113.19 -172.11 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 10' ' ' PHE . . . . . . . . . . . . . 21.1 m-85 -60.91 148.4 39.79 Favored 'General case' 0 CA--C 1.54 0.588 0 C-N-CA 123.598 0.759 . . . . 10.0 112.874 173.547 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 68.4 mt -118.67 98.23 6.21 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.519 0 C-N-CA 125.952 1.701 . . . . 10.0 106.562 169.623 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 85.6 mttt -93.1 97.5 10.72 Favored 'General case' 0 N--CA 1.473 0.701 0 C-N-CA 125.153 1.381 . . . . 10.0 110.383 -177.2 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 27.0 mt-30 -90.18 -16.1 30.16 Favored 'General case' 0 N--CA 1.472 0.667 0 C-N-CA 124.449 1.1 . . . . 10.0 112.486 174.548 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . 78.02 7.47 87.56 Favored Glycine 0 CA--C 1.537 1.439 0 C-N-CA 125.027 1.299 . . . . 10.0 114.429 -178.535 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 42.7 ttp180 -70.4 125.04 25.68 Favored 'General case' 0 N--CA 1.471 0.581 0 C-N-CA 126.711 2.004 . . . . 10.0 111.109 178.478 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 59.5 tttm -72.0 107.72 4.86 Favored 'General case' 0 N--CA 1.473 0.705 0 C-N-CA 124.83 1.252 . . . . 10.0 110.322 173.174 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 95.4 mt -75.28 172.75 11.88 Favored 'General case' 0 CA--C 1.544 0.713 0 C-N-CA 125.767 1.627 . . . . 10.0 112.538 178.233 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 19.1 t0 -123.09 91.06 3.41 Favored 'General case' 0 CA--C 1.541 0.625 0 C-N-CA 125.97 1.708 . . . . 10.0 110.191 175.141 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . 70.9 mt -133.14 126.32 52.91 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.634 0 C-N-CA 127.241 2.216 . . . . 10.0 107.804 -178.058 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 23.2 t0 -83.96 86.18 7.22 Favored 'General case' 0 CA--C 1.537 0.473 0 CA-C-O 122.026 0.917 . . . . 10.0 110.223 170.037 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 21' ' ' PHE . . . . . . . . . . . . . 86.3 m-85 -62.08 -46.4 89.24 Favored 'General case' 0 CA--C 1.539 0.543 0 C-N-CA 125.999 1.72 . . . . 10.0 110.944 170.32 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 132.7 162.65 10.34 Favored Glycine 0 CA--C 1.532 1.141 0 C-N-CA 127.359 2.409 . . . . 10.0 110.36 -169.578 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -42.96 -55.75 3.61 Favored 'General case' 0 CA--C 1.545 0.787 0 N-CA-C 115.414 1.635 . . . . 10.0 115.414 -169.805 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 8.4 mm-40 -64.12 -50.13 69.47 Favored 'General case' 0 N--CA 1.473 0.704 0 O-C-N 121.508 -0.745 . . . . 10.0 112.112 178.401 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -64.51 -39.6 96.97 Favored Glycine 0 CA--C 1.529 0.945 0 C-N-CA 124.291 0.948 . . . . 10.0 114.002 -177.058 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 89.3 m-20 -56.56 -51.14 69.73 Favored 'General case' 0 CA--C 1.535 0.392 0 C-N-CA 125.904 1.682 . . . . 10.0 110.251 172.937 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 69.3 mtm180 -63.72 -43.2 97.24 Favored 'General case' 0 N--CA 1.474 0.767 0 C-N-CA 123.599 0.76 . . . . 10.0 112.03 177.836 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 28' ' ' TYR . . . . . . . . . . . . . 77.0 t80 -59.54 -53.47 57.75 Favored 'General case' 0 CA--C 1.537 0.474 0 C-N-CA 123.996 0.918 . . . . 10.0 111.772 176.784 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 29' ' ' TYR . . . . . . . . . . . . . 77.4 t80 -57.12 -52.25 66.04 Favored 'General case' 0 CA--C 1.536 0.415 0 C-N-CA 124.752 1.221 . . . . 10.0 112.14 177.216 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -49.68 -36.6 25.59 Favored 'General case' 0 CA--C 1.547 0.836 0 N-CA-C 113.952 1.093 . . . . 10.0 113.952 176.813 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -85.36 -20.58 29.7 Favored 'General case' 0 CA--C 1.551 1.0 0 N-CA-C 115.219 1.563 . . . . 10.0 115.219 176.734 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 32' ' ' ASN . . . . . . . . . . . . . 60.9 m-80 -131.53 8.44 4.59 Favored 'General case' 0 N--CA 1.477 0.893 0 N-CA-C 116.65 2.093 . . . . 10.0 116.65 -169.185 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 33' ' ' TYR . . . . . . . . . . . . . 50.2 p90 -50.77 -29.64 12.06 Favored 'General case' 0 N--CA 1.478 0.971 0 C-N-CA 125.887 1.675 . . . . 10.0 115.269 -174.532 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 34' ' ' TRP . . . . . . . . . . . . . 64.8 p-90 -50.98 -34.64 29.85 Favored 'General case' 0 CA--C 1.545 0.781 0 C-N-CA 125.959 1.704 . . . . 10.0 114.335 173.335 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 31.3 mt-30 -70.46 -36.74 74.08 Favored 'General case' 0 N--CA 1.474 0.774 0 C-N-CA 124.676 1.191 . . . . 10.0 113.825 177.675 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 36' ' ' PHE . . . . . . . . . . . . . 78.0 m-85 -74.34 157.94 85.89 Favored Pre-proline 0 CA--C 1.546 0.812 0 C-N-CA 126.71 2.004 . . . . 10.0 114.976 -169.297 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 60.4 Cg_endo -73.37 156.55 50.4 Favored 'Trans proline' 0 CA--C 1.541 0.872 0 C-N-CA 123.719 2.946 . . . . 10.0 111.524 169.661 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 11.9 t70 -109.86 -38.28 5.4 Favored 'General case' 0 N--CA 1.473 0.676 0 C-N-CA 125.726 1.61 . . . . 10.0 111.03 171.232 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . -128.23 175.29 18.57 Favored Glycine 0 CA--C 1.535 1.312 0 C-N-CA 126.006 1.765 . . . . 10.0 111.993 169.795 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 40' ' ' ILE . . . . . . . . . . . . . 96.6 mt -135.32 125.61 43.78 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.679 0 C-N-CA 125.335 1.454 . . . . 10.0 108.524 174.611 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 41' ' ' TYR . . . . . . . . . . . . . 88.8 t80 -72.52 97.74 2.16 Favored 'General case' 0 CA--C 1.535 0.398 0 C-N-CA 124.222 1.009 . . . . 10.0 109.586 169.98 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 42' ' ' TYR . . . . . . . . . . . . . 63.4 t80 -150.73 133.31 15.68 Favored 'General case' 0 CA--C 1.534 0.362 0 C-N-CA 123.819 0.848 . . . . 10.0 111.337 174.675 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 48.7 mt-10 -128.97 64.98 1.45 Allowed 'General case' 0 CA--C 1.54 0.574 0 C-N-CA 125.747 1.619 . . . . 10.0 110.222 -175.764 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . -60.98 -44.85 97.67 Favored Glycine 0 CA--C 1.533 1.208 0 C-N-CA 125.22 1.391 . . . . 10.0 113.237 177.323 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 45' ' ' CYS . . . . . . . . . . . . . 56.7 m -61.11 135.49 57.78 Favored 'General case' 0 CA--C 1.541 0.605 0 C-N-CA 126.102 1.761 . . . . 10.0 113.757 179.404 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 22.8 t -147.3 -47.23 0.17 Allowed 'General case' 0 N--CA 1.473 0.675 0 C-N-CA 126.343 1.857 . . . . 10.0 111.218 176.907 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 11.4 pt-20 -137.06 158.53 44.25 Favored 'General case' 0 CA--C 1.542 0.641 0 C-N-CA 126.577 1.951 . . . . 10.0 111.852 179.71 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -52.61 -25.65 11.3 Favored 'General case' 0 CA--C 1.546 0.79 0 C-N-CA 126.202 1.801 . . . . 10.0 115.594 -175.206 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 74.6 m-20 -61.49 -30.78 70.83 Favored 'General case' 0 CA--C 1.544 0.738 0 C-N-CA 124.466 1.106 . . . . 10.0 113.27 174.07 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . 61.6 t -71.19 108.16 2.7 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.833 0 C-N-CA 124.359 1.064 . . . . 10.0 109.752 172.392 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 82.6 p -89.67 174.56 7.67 Favored 'General case' 0 N--CA 1.475 0.782 0 C-N-CA 124.78 1.232 . . . . 10.0 112.246 179.753 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 85.0 tttt -58.88 -57.04 14.79 Favored 'General case' 0 N--CA 1.472 0.628 0 C-N-CA 123.705 0.802 . . . . 10.0 111.434 169.807 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 12.2 pt-20 -51.79 -40.19 59.94 Favored 'General case' 0 N--CA 1.474 0.745 0 C-N-CA 124.412 1.085 . . . . 10.0 113.056 177.365 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 54' ' ' MET . . . . . . . . . . . . . 88.6 mtp -60.13 -54.17 49.13 Favored 'General case' 0 N--CA 1.47 0.573 0 C-N-CA 123.399 0.68 . . . . 10.0 111.492 169.331 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 8.3 tt -56.27 -49.74 73.38 Favored 'General case' 0 CA--C 1.533 0.309 0 CA-C-O 117.819 -1.086 . . . . 10.0 113.163 -178.977 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 22.6 t -55.58 -52.22 49.69 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.076 0 CA-C-N 120.431 1.468 . . . . 10.0 111.052 -177.455 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 57' ' ' THR . . . . . . . . . . . . . 31.8 m -59.99 -50.44 73.75 Favored 'General case' 0 N--CA 1.473 0.721 0 C-N-CA 124.976 1.311 . . . . 10.0 111.636 177.681 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 21.7 m -62.32 -38.4 89.29 Favored 'General case' 0 N--CA 1.472 0.627 0 C-N-CA 124.088 0.955 . . . . 10.0 112.569 179.676 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 59' ' ' CYS . . . . . . . . . . . . . 39.5 t -59.56 -50.05 75.41 Favored 'General case' 0 CA--C 1.534 0.355 0 C-N-CA 126.631 1.972 . . . . 10.0 112.253 173.427 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 60' ' ' VAL . . . . . . . . . . . . . 52.0 t -53.95 -50.01 56.14 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.028 0 CA-C-N 119.17 0.895 . . . . 10.0 111.37 171.74 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 61' ' ' ASN . . . . . . . . . . . . . 20.9 m-80 -58.79 -46.11 88.31 Favored 'General case' 0 CA--C 1.545 0.773 0 C-N-CA 124.58 1.152 . . . . 10.0 113.192 176.46 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -61.0 -47.58 85.82 Favored 'General case' 0 CA--C 1.537 0.479 0 C-N-CA 124.177 0.991 . . . . 10.0 111.271 175.179 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 63' ' ' THR . . . . . . . . . . . . . 31.0 m -55.18 -49.03 72.92 Favored 'General case' 0 N--CA 1.471 0.605 0 C-N-CA 125.287 1.435 . . . . 10.0 111.532 177.215 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 64' ' ' GLN . . . . . . . . . . . . . 66.5 mt-30 -49.56 -60.35 2.94 Favored 'General case' 0 N--CA 1.47 0.559 0 C-N-CA 124.821 1.248 . . . . 10.0 112.006 170.865 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -56.7 -42.05 78.43 Favored 'General case' 0 CA--C 1.544 0.724 0 C-N-CA 125.633 1.573 . . . . 10.0 113.817 -178.735 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -70.21 -46.5 64.41 Favored 'General case' 0 CA--C 1.54 0.574 0 C-N-CA 124.792 1.237 . . . . 10.0 113.879 -179.856 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 67' ' ' ASN . . . . . . . . . . . . . 9.7 m-80 -109.22 38.87 2.19 Favored 'General case' 0 CA--C 1.544 0.726 0 C-N-CA 124.445 1.098 . . . . 10.0 112.199 -169.692 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 68' ' ' GLN . . . . . . . . . . . . . 57.1 mt-30 -51.35 -48.07 62.57 Favored 'General case' 0 N--CA 1.471 0.622 0 C-N-CA 125.534 1.533 . . . . 10.0 112.912 -178.256 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -56.48 -46.33 80.49 Favored 'General case' 0 CA--C 1.543 0.684 0 C-N-CA 125.003 1.321 . . . . 10.0 113.32 179.724 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 8.1 mm-40 -56.07 -55.26 35.1 Favored 'General case' 0 N--CA 1.473 0.697 0 C-N-CA 124.986 1.314 . . . . 10.0 111.234 177.805 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 71' ' ' PHE . . . . . . . . . . . . . 25.2 m-85 -59.62 -50.58 73.33 Favored 'General case' 0 CA--C 1.536 0.441 0 C-N-CA 123.95 0.9 . . . . 10.0 112.0 176.603 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 70.4 m -54.61 -50.71 67.43 Favored 'General case' 0 N--CA 1.474 0.763 0 C-N-CA 125.206 1.403 . . . . 10.0 113.231 -179.487 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 73' ' ' ARG . . . . . . . . . . . . . 26.1 mtm105 -58.25 -53.55 57.06 Favored 'General case' 0 N--CA 1.475 0.818 0 C-N-CA 124.551 1.14 . . . . 10.0 112.41 177.017 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 42.1 mm-40 -69.45 -59.55 2.91 Favored 'General case' 0 CA--C 1.541 0.612 0 C-N-CA 124.28 1.032 . . . . 10.0 113.742 -175.896 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 85.5 tttt -46.17 -35.05 4.74 Favored 'General case' 0 N--CA 1.481 1.12 0 C-N-CA 127.65 2.38 . . . . 10.0 116.167 -169.701 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 76' ' ' GLN . . . . . . . . . . . . . 87.4 mm-40 -54.98 -27.61 45.35 Favored 'General case' 0 CA--C 1.546 0.802 0 C-N-CA 124.871 1.268 . . . . 10.0 114.252 176.999 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 32.2 t70 -135.76 -40.31 0.7 Allowed 'General case' 0 N--CA 1.475 0.778 0 C-N-CA 125.502 1.521 . . . . 10.0 113.549 -178.907 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -78.59 61.38 2.92 Favored 'General case' 0 CA--C 1.545 0.763 0 C-N-CA 127.714 2.406 . . . . 10.0 113.288 -169.993 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 88.0 tttt -53.75 -55.03 29.91 Favored 'General case' 0 N--CA 1.476 0.873 0 C-N-CA 126.826 2.05 . . . . 10.0 112.869 -176.853 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -55.58 -49.97 71.33 Favored 'General case' 0 N--CA 1.472 0.647 0 C-N-CA 124.95 1.3 . . . . 10.0 111.08 177.502 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 81' ' ' HIS . . . . . . . . . . . . . 13.0 t-160 -53.36 -54.0 42.94 Favored 'General case' 0 N--CA 1.468 0.451 0 C-N-CA 124.132 0.973 . . . . 10.0 112.147 -179.65 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 82' ' ' GLN . . . . . . . . . . . . . 93.7 mm-40 -50.87 -54.73 21.42 Favored 'General case' 0 N--CA 1.472 0.653 0 CA-C-N 118.891 0.769 . . . . 10.0 112.389 179.182 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 83' ' ' ARG . . . . . . . . . . . . . 3.6 tmt_? -50.59 -55.02 18.18 Favored 'General case' 0 N--CA 1.474 0.771 0 C-N-CA 125.043 1.337 . . . . 10.0 111.745 179.81 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 84' ' ' VAL . . . . . . . . . . . . . 44.7 t -60.43 -51.95 67.07 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.975 0 C-N-CA 126.085 1.754 . . . . 10.0 111.475 177.553 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 85' ' ' LEU . . . . . . . . . . . . . 50.3 tp -55.22 -49.19 72.59 Favored 'General case' 0 CA--C 1.537 0.478 0 C-N-CA 126.112 1.765 . . . . 10.0 112.722 179.016 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 86' ' ' TRP . . . . . . . . . . . . . 71.7 m95 -61.09 -42.63 98.86 Favored 'General case' 0 N--CA 1.468 0.471 0 N-CA-C 113.663 0.986 . . . . 10.0 113.663 175.678 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 87' ' ' ARG . . . . . . . . . . . . . 13.8 tpt180 -55.88 -50.21 71.26 Favored 'General case' 0 N--CA 1.475 0.778 0 CA-C-N 118.591 0.632 . . . . 10.0 111.267 169.895 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 88' ' ' LEU . . . . . . . . . . . . . 2.2 tt -55.55 -52.37 63.96 Favored 'General case' 0 CA--C 1.544 0.747 0 C-N-CA 124.78 1.232 . . . . 10.0 111.958 176.38 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 89' ' ' ILE . . . . . . . . . . . . . 72.9 mt -50.39 -51.05 19.64 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.703 0 C-N-CA 124.813 1.245 . . . . 10.0 110.938 173.742 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 39.4 ttmt -59.75 -44.84 93.65 Favored 'General case' 0 N--CA 1.472 0.66 0 C-N-CA 124.068 0.947 . . . . 10.0 113.27 176.242 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 76.7 mm-40 -52.24 -50.1 62.69 Favored 'General case' 0 N--CA 1.474 0.727 0 CA-C-N 119.74 1.154 . . . . 10.0 111.803 171.061 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 92' ' ' ILE . . . . . . . . . . . . . 97.4 mt -58.28 -56.23 17.41 Favored 'Isoleucine or valine' 0 N--CA 1.479 0.976 0 CA-C-N 119.422 1.01 . . . . 10.0 111.463 174.274 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 93' ' ' CYS . . . . . . . . . . . . . 92.4 m -56.74 -43.21 80.47 Favored 'General case' 0 CA--C 1.545 0.755 0 C-N-CA 124.715 1.206 . . . . 10.0 112.898 -177.399 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 78.9 p -71.43 -37.56 71.44 Favored 'General case' 0 N--CA 1.475 0.822 0 N-CA-C 114.219 1.192 . . . . 10.0 114.219 174.372 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . -64.16 -52.08 60.77 Favored 'General case' 0 CA--C 1.541 0.602 0 C-N-CA 124.324 1.049 . . . . 10.0 113.24 177.63 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 96' ' ' LYS . . . . . . . . . . . . . 6.9 ptmm? -60.51 136.08 57.94 Favored 'General case' 0 N--CA 1.478 0.956 0 C-N-CA 123.871 0.869 . . . . 10.0 112.792 -174.055 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 97' ' ' HIS . . . . . . . . . . . . . 10.7 m80 -124.37 168.24 13.29 Favored 'General case' 0 N--CA 1.481 1.082 0 C-N-CA 126.5 1.92 . . . . 10.0 113.254 -172.185 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 98' ' ' CYS . . . . . . . . . . . . . 57.2 m -127.64 138.03 52.71 Favored 'General case' 0 CA--C 1.538 0.512 0 C-N-CA 126.213 1.805 . . . . 10.0 111.857 -179.479 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 99' ' ' ASP . . . . . . . . . . . . . 31.5 t70 -57.97 -45.15 87.17 Favored 'General case' 0 N--CA 1.472 0.642 0 C-N-CA 125.423 1.489 . . . . 10.0 113.697 -173.177 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 100' ' ' PHE . . . . . . . . . . . . . 9.3 p90 -72.18 -12.13 61.04 Favored 'General case' 0 CA--C 1.542 0.671 0 N-CA-C 115.231 1.567 . . . . 10.0 115.231 -175.379 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 101' ' ' TRP . . . . . . . . . . . . . 32.3 m0 -55.96 119.16 5.41 Favored 'General case' 0 N--CA 1.474 0.763 0 CA-C-N 119.995 1.271 . . . . 10.0 112.792 -176.937 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 102' ' ' LEU . . . . . . . . . . . . . 72.2 mt -79.31 158.6 27.46 Favored 'General case' 0 CA--C 1.542 0.644 0 C-N-CA 126.392 1.877 . . . . 10.0 112.451 -170.508 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 38.4 tt0 -65.04 139.17 58.71 Favored 'General case' 0 CA--C 1.546 0.821 0 C-N-CA 124.561 1.145 . . . . 10.0 111.891 174.801 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 104' ' ' ARG . . . . . . . . . . . . . 80.2 mtp180 -130.92 151.42 51.35 Favored 'General case' 0 N--CA 1.478 0.963 0 C-N-CA 126.371 1.868 . . . . 10.0 111.32 179.34 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 105' ' ' GLY . . . . . . . . . . . . . . . -174.48 173.41 46.05 Favored Glycine 0 CA--C 1.535 1.326 0 C-N-CA 125.324 1.44 . . . . 10.0 113.184 -179.768 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 106' ' ' ALA . . . . . . . . . . . . . . . -146.65 165.26 30.11 Favored 'General case' 0 CA--C 1.547 0.855 0 C-N-CA 125.656 1.582 . . . . 10.0 112.312 -179.037 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 107' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.253 1.273 0 C-N-CA 125.697 1.599 . . . . 10.0 113.144 176.53 . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' A' A ' 1' ' ' ARG . . . . . . . . . . . . . 44.5 ttm105 . . . . . 0 N--CA 1.489 1.488 0 N-CA-C 110.126 -0.324 . . . . 10.0 110.126 . . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' A' A ' 2' ' ' VAL . . . . . . . . . . . . . 59.5 t -65.01 124.03 19.07 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.082 0 C-N-CA 124.859 1.264 . . . . 10.0 110.64 178.934 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -70.04 158.07 36.36 Favored 'General case' 0 CA--C 1.543 0.692 0 C-N-CA 124.71 1.204 . . . . 10.0 113.27 178.404 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 10.4 pt-20 -67.5 130.71 43.91 Favored 'General case' 0 CA--C 1.541 0.614 0 C-N-CA 123.566 0.746 . . . . 10.0 111.259 169.738 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 5' ' ' ASN . . . . . . . . . . . . . 49.2 t30 -76.75 64.19 2.29 Favored 'General case' 0 CA--C 1.55 0.952 0 C-N-CA 124.408 1.083 . . . . 10.0 111.804 177.798 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 12.3 ptp180 -76.28 151.14 83.34 Favored Pre-proline 0 N--CA 1.477 0.888 0 C-N-CA 124.901 1.281 . . . . 10.0 111.745 171.3 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 7' ' ' PRO . . . . . . . . . . . . . 74.0 Cg_exo -48.84 121.12 6.15 Favored 'Trans proline' 0 CA--C 1.539 0.75 0 C-N-CA 123.403 2.735 . . . . 10.0 112.341 172.377 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . 112.4 -18.16 23.24 Favored Glycine 0 CA--C 1.538 1.477 0 C-N-CA 126.597 2.046 . . . . 10.0 114.462 -170.482 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -61.36 134.11 56.56 Favored 'General case' 0 CA--C 1.546 0.8 0 CA-C-N 119.609 1.704 . . . . 10.0 113.019 -174.055 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 10' ' ' PHE . . . . . . . . . . . . . 23.0 m-85 -61.54 150.84 34.74 Favored 'General case' 0 CA--C 1.542 0.669 0 C-N-CA 124.042 0.937 . . . . 10.0 112.884 175.027 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 81.6 mt -123.94 116.27 47.49 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.426 0 C-N-CA 125.8 1.64 . . . . 10.0 106.836 169.655 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 92.3 mttt -123.68 106.89 10.91 Favored 'General case' 0 N--CA 1.472 0.659 0 C-N-CA 126.496 1.918 . . . . 10.0 110.284 -172.918 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 34.3 mt-30 -120.55 -0.89 10.19 Favored 'General case' 0 CA--C 1.545 0.763 0 C-N-CA 128.097 2.559 . . . . 10.0 112.595 -169.972 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . 66.75 37.17 92.17 Favored Glycine 0 CA--C 1.535 1.306 0 C-N-CA 125.133 1.349 . . . . 10.0 112.786 -174.116 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 33.0 ttp85 -103.91 93.96 5.16 Favored 'General case' 0 N--CA 1.471 0.62 0 C-N-CA 126.192 1.797 . . . . 10.0 110.893 -171.476 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 72.6 tttt -64.32 124.08 20.8 Favored 'General case' 0 N--CA 1.473 0.7 0 C-N-CA 125.765 1.626 . . . . 10.0 110.17 174.217 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 2.7 pp -134.5 165.91 24.09 Favored 'General case' 0 N--CA 1.474 0.736 0 C-N-CA 124.734 1.214 . . . . 10.0 113.569 -174.494 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 22.3 t70 -100.08 106.94 18.73 Favored 'General case' 0 CA--C 1.543 0.707 0 C-N-CA 124.711 1.205 . . . . 10.0 113.261 -169.663 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . 73.4 mt -135.78 131.13 50.12 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.778 0 C-N-CA 127.43 2.292 . . . . 10.0 108.076 172.409 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 22.4 t0 -87.48 85.45 7.12 Favored 'General case' 0 N--CA 1.471 0.577 0 CA-C-O 121.982 0.896 . . . . 10.0 110.683 171.457 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 21' ' ' PHE . . . . . . . . . . . . . 79.6 m-85 -63.48 -41.74 98.57 Favored 'General case' 0 CA--C 1.541 0.598 0 C-N-CA 126.725 2.01 . . . . 10.0 112.008 172.796 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 130.76 159.28 9.56 Favored Glycine 0 CA--C 1.532 1.139 0 C-N-CA 127.479 2.466 . . . . 10.0 110.303 -169.582 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -42.21 -57.11 2.64 Favored 'General case' 0 CA--C 1.547 0.851 0 N-CA-C 115.398 1.629 . . . . 10.0 115.398 -169.739 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 46.9 mt-10 -63.61 -48.04 78.96 Favored 'General case' 0 N--CA 1.474 0.773 0 C-N-CA 124.221 1.008 . . . . 10.0 112.284 178.754 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -65.17 -39.26 96.06 Favored Glycine 0 CA--C 1.532 1.142 0 C-N-CA 124.539 1.066 . . . . 10.0 114.183 -179.368 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 91.0 m-20 -57.11 -52.14 66.48 Favored 'General case' 0 CA--C 1.534 0.364 0 C-N-CA 125.995 1.718 . . . . 10.0 110.212 173.752 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 80.2 mtp180 -58.92 -46.47 87.84 Favored 'General case' 0 N--CA 1.474 0.751 0 C-N-CA 125.056 1.342 . . . . 10.0 111.691 176.103 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 28' ' ' TYR . . . . . . . . . . . . . 79.8 t80 -59.22 -54.62 44.77 Favored 'General case' 0 CA--C 1.536 0.415 0 C-N-CA 124.403 1.081 . . . . 10.0 111.976 178.106 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 29' ' ' TYR . . . . . . . . . . . . . 87.1 t80 -56.32 -51.4 68.38 Favored 'General case' 0 CA--C 1.535 0.39 0 C-N-CA 124.319 1.048 . . . . 10.0 112.324 175.662 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -51.1 -34.03 28.73 Favored 'General case' 0 CA--C 1.546 0.797 0 N-CA-C 113.678 0.992 . . . . 10.0 113.678 178.954 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -88.23 -28.55 21.07 Favored 'General case' 0 CA--C 1.552 1.035 0 C-N-CA 125.836 1.654 . . . . 10.0 115.087 176.026 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 32' ' ' ASN . . . . . . . . . . . . . 52.2 m-80 -124.41 12.47 8.75 Favored 'General case' 0 CA--C 1.548 0.9 0 N-CA-C 116.263 1.949 . . . . 10.0 116.263 -169.231 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 33' ' ' TYR . . . . . . . . . . . . . 53.4 p90 -47.91 -34.68 9.37 Favored 'General case' 0 N--CA 1.476 0.859 0 C-N-CA 126.828 2.051 . . . . 10.0 114.957 -177.21 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 34' ' ' TRP . . . . . . . . . . . . . 66.5 p-90 -49.89 -33.95 18.78 Favored 'General case' 0 CA--C 1.545 0.765 0 C-N-CA 126.356 1.862 . . . . 10.0 114.388 176.112 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 32.1 mt-30 -68.97 -38.58 79.45 Favored 'General case' 0 N--CA 1.472 0.654 0 C-N-CA 124.634 1.174 . . . . 10.0 113.756 177.575 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 36' ' ' PHE . . . . . . . . . . . . . 72.5 m-85 -73.64 151.6 89.24 Favored Pre-proline 0 CA--C 1.545 0.764 0 C-N-CA 126.161 1.784 . . . . 10.0 115.2 -169.008 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 83.1 Cg_endo -74.76 116.74 4.7 Favored 'Trans proline' 0 CA--C 1.537 0.652 0 C-N-CA 123.692 2.928 . . . . 10.0 108.898 168.798 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 4.2 p30 -80.57 -30.3 37.0 Favored 'General case' 0 N--CA 1.473 0.687 0 O-C-N 121.353 -0.842 . . . . 10.0 111.764 173.877 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . -124.55 167.42 16.88 Favored Glycine 0 CA--C 1.536 1.355 0 C-N-CA 125.037 1.303 . . . . 10.0 111.742 169.194 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 40' ' ' ILE . . . . . . . . . . . . . 86.0 mt -138.66 125.19 25.25 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.764 0 C-N-CA 124.947 1.299 . . . . 10.0 108.442 172.509 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 41' ' ' TYR . . . . . . . . . . . . . 75.0 t80 -71.85 102.94 3.0 Favored 'General case' 0 CA--C 1.536 0.424 0 C-N-CA 123.695 0.798 . . . . 10.0 109.832 169.892 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 42' ' ' TYR . . . . . . . . . . . . . 87.4 t80 -156.61 137.56 13.51 Favored 'General case' 0 C--O 1.236 0.361 0 C-N-CA 124.878 1.271 . . . . 10.0 110.172 173.171 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 45.4 mt-10 -133.01 76.16 1.67 Allowed 'General case' 0 CA--C 1.54 0.558 0 C-N-CA 125.569 1.548 . . . . 10.0 110.494 -175.245 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . -72.48 -30.42 64.48 Favored Glycine 0 CA--C 1.535 1.293 0 C-N-CA 125.091 1.329 . . . . 10.0 114.235 -179.782 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 45' ' ' CYS . . . . . . . . . . . . . 74.7 m -58.29 121.14 10.04 Favored 'General case' 0 CA--C 1.543 0.688 0 C-N-CA 125.858 1.663 . . . . 10.0 112.796 -178.137 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 16.5 p -139.94 -59.47 0.55 Allowed 'General case' 0 N--CA 1.473 0.693 0 C-N-CA 126.189 1.796 . . . . 10.0 111.855 176.912 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 11.9 pt-20 -144.91 156.1 43.8 Favored 'General case' 0 N--CA 1.473 0.693 0 C-N-CA 125.679 1.592 . . . . 10.0 112.79 179.679 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -55.05 -23.02 18.02 Favored 'General case' 0 CA--C 1.543 0.704 0 N-CA-C 115.742 1.756 . . . . 10.0 115.742 -175.414 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 73.9 m-20 -59.57 -31.39 69.4 Favored 'General case' 0 CA--C 1.545 0.77 0 C-N-CA 123.774 0.83 . . . . 10.0 112.944 171.943 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . 60.4 t -67.84 109.88 1.75 Allowed 'Isoleucine or valine' 0 N--CA 1.474 0.758 0 C-N-CA 124.717 1.207 . . . . 10.0 109.345 169.89 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 41.9 p -80.7 172.01 14.3 Favored 'General case' 0 N--CA 1.475 0.784 0 C-N-CA 123.591 0.756 . . . . 10.0 111.513 174.452 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 83.8 tttt -60.53 -49.56 77.08 Favored 'General case' 0 N--CA 1.471 0.599 0 O-C-N 121.368 -0.832 . . . . 10.0 111.429 169.823 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 44.4 mt-10 -51.58 -47.77 63.39 Favored 'General case' 0 N--CA 1.473 0.705 0 C-N-CA 123.849 0.86 . . . . 10.0 112.216 175.756 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 54' ' ' MET . . . . . . . . . . . . . 94.8 mtp -55.29 -55.61 29.49 Favored 'General case' 0 N--CA 1.469 0.485 0 C-N-CA 124.098 0.959 . . . . 10.0 112.228 171.303 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 9.5 tt -58.54 -54.02 51.79 Favored 'General case' 0 N--CA 1.466 0.374 0 C-N-CA 123.954 0.901 . . . . 10.0 112.883 -177.746 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 29.3 t -58.87 -45.98 91.42 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.922 0 C-N-CA 124.034 0.934 . . . . 10.0 110.732 -177.238 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 57' ' ' THR . . . . . . . . . . . . . 61.4 m -57.62 -51.75 68.25 Favored 'General case' 0 N--CA 1.477 0.886 0 C-N-CA 124.367 1.067 . . . . 10.0 111.919 172.77 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 48.6 m -60.2 -40.93 91.81 Favored 'General case' 0 N--CA 1.474 0.75 0 C-N-CA 124.522 1.129 . . . . 10.0 112.683 179.057 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 59' ' ' CYS . . . . . . . . . . . . . 43.0 t -59.39 -50.24 74.74 Favored 'General case' 0 CA--C 1.536 0.436 0 C-N-CA 126.204 1.801 . . . . 10.0 112.381 172.991 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 60' ' ' VAL . . . . . . . . . . . . . 39.9 t -56.34 -43.84 78.26 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.95 0 C-N-CA 124.488 1.115 . . . . 10.0 111.785 172.638 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 61' ' ' ASN . . . . . . . . . . . . . 12.6 m-80 -61.31 -47.27 86.71 Favored 'General case' 0 CA--C 1.544 0.724 0 C-N-CA 124.414 1.086 . . . . 10.0 112.956 173.26 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -60.09 -46.5 89.4 Favored 'General case' 0 CA--C 1.537 0.473 0 C-N-CA 124.251 1.02 . . . . 10.0 111.496 175.968 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 63' ' ' THR . . . . . . . . . . . . . 30.9 m -55.04 -50.94 67.84 Favored 'General case' 0 N--CA 1.473 0.695 0 C-N-CA 125.264 1.425 . . . . 10.0 111.369 176.356 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 64' ' ' GLN . . . . . . . . . . . . . 42.2 mt-30 -51.21 -59.49 4.14 Favored 'General case' 0 CA--C 1.539 0.533 0 C-N-CA 124.222 1.009 . . . . 10.0 111.663 171.927 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -55.7 -42.85 75.83 Favored 'General case' 0 CA--C 1.544 0.727 0 C-N-CA 126.06 1.744 . . . . 10.0 113.971 -177.405 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -69.26 -34.95 75.56 Favored 'General case' 0 CA--C 1.544 0.716 0 C-N-CA 124.692 1.197 . . . . 10.0 113.984 178.543 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 67' ' ' ASN . . . . . . . . . . . . . 11.5 m-80 -122.68 41.09 3.53 Favored 'General case' 0 CA--C 1.548 0.899 0 C-N-CA 124.281 1.032 . . . . 10.0 112.568 -170.2 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 68' ' ' GLN . . . . . . . . . . . . . 61.4 mt-30 -55.63 -54.14 47.78 Favored 'General case' 0 N--CA 1.475 0.776 0 C-N-CA 125.398 1.479 . . . . 10.0 112.923 -174.468 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -55.89 -45.82 78.49 Favored 'General case' 0 CA--C 1.541 0.598 0 C-N-CA 124.828 1.251 . . . . 10.0 112.612 -179.677 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 21.7 mp0 -57.19 -54.58 45.13 Favored 'General case' 0 CA--C 1.537 0.47 0 C-N-CA 125.688 1.595 . . . . 10.0 111.381 -179.631 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 71' ' ' PHE . . . . . . . . . . . . . 47.2 m-85 -58.93 -53.17 61.38 Favored 'General case' 0 N--CA 1.468 0.451 0 C-N-CA 123.687 0.795 . . . . 10.0 112.264 174.043 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 32.2 t -52.11 -57.77 8.57 Favored 'General case' 0 N--CA 1.469 0.518 0 C-N-CA 125.352 1.461 . . . . 10.0 112.638 -177.357 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 73' ' ' ARG . . . . . . . . . . . . . 76.2 mtp85 -56.9 -49.08 76.66 Favored 'General case' 0 N--CA 1.476 0.833 0 C-N-CA 125.831 1.652 . . . . 10.0 112.664 179.942 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 50.9 tp10 -57.92 -55.24 37.43 Favored 'General case' 0 CA--C 1.543 0.682 0 C-N-CA 124.903 1.281 . . . . 10.0 111.913 177.654 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 61.3 tttm -58.4 -19.84 39.32 Favored 'General case' 0 N--CA 1.475 0.814 0 C-N-CA 127.115 2.166 . . . . 10.0 115.109 -176.707 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 76' ' ' GLN . . . . . . . . . . . . . 76.9 mm-40 -55.53 -36.09 66.39 Favored 'General case' 0 N--CA 1.476 0.858 0 CA-C-N 119.514 1.052 . . . . 10.0 113.175 172.966 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 31.8 t70 -126.01 -41.42 1.95 Allowed 'General case' 0 CA--C 1.542 0.66 0 C-N-CA 125.552 1.541 . . . . 10.0 113.056 -174.467 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 1.8 t -66.65 145.13 55.9 Favored 'General case' 0 CA--C 1.537 0.476 0 C-N-CA 125.451 1.5 . . . . 10.0 113.536 -175.798 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 65.4 tttm -121.33 -77.76 0.59 Allowed 'General case' 0 N--CA 1.476 0.844 0 C-N-CA 125.838 1.655 . . . . 10.0 111.944 -178.104 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 51.8 tp -56.3 -40.91 75.08 Favored 'General case' 0 N--CA 1.473 0.702 0 C-N-CA 124.801 1.241 . . . . 10.0 112.654 -177.83 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 81' ' ' HIS . . . . . . . . . . . . . 13.9 t-160 -49.78 -51.66 37.67 Favored 'General case' 0 N--CA 1.47 0.535 0 C-N-CA 123.916 0.887 . . . . 10.0 112.252 -178.523 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 82' ' ' GLN . . . . . . . . . . . . . 99.2 mm-40 -50.49 -54.39 22.59 Favored 'General case' 0 N--CA 1.472 0.634 0 C-N-CA 124.682 1.193 . . . . 10.0 112.118 177.999 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 83' ' ' ARG . . . . . . . . . . . . . 53.2 tpt85 -53.27 -47.22 69.3 Favored 'General case' 0 N--CA 1.477 0.9 0 C-N-CA 124.876 1.27 . . . . 10.0 112.973 -179.765 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 84' ' ' VAL . . . . . . . . . . . . . 25.2 t -67.27 -52.65 40.33 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.864 0 C-N-CA 125.959 1.703 . . . . 10.0 110.939 177.088 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 85' ' ' LEU . . . . . . . . . . . . . 56.1 tp -54.46 -51.32 65.35 Favored 'General case' 0 N--CA 1.467 0.422 0 C-N-CA 127.096 2.158 . . . . 10.0 112.559 -179.568 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 86' ' ' TRP . . . . . . . . . . . . . 73.7 m95 -60.72 -43.63 97.63 Favored 'General case' 0 N--CA 1.465 0.309 0 N-CA-C 113.456 0.91 . . . . 10.0 113.456 176.684 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 87' ' ' ARG . . . . . . . . . . . . . 13.8 tpt180 -54.23 -49.3 69.77 Favored 'General case' 0 N--CA 1.476 0.834 0 CA-C-N 118.981 0.809 . . . . 10.0 111.183 170.186 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 88' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -55.4 -51.26 67.44 Favored 'General case' 0 CA--C 1.545 0.752 0 C-N-CA 124.354 1.062 . . . . 10.0 112.145 175.851 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 89' ' ' ILE . . . . . . . . . . . . . 90.7 mt -52.61 -52.51 26.31 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.738 0 C-N-CA 124.683 1.193 . . . . 10.0 110.931 173.962 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 12.5 mptt -55.3 -48.31 74.28 Favored 'General case' 0 N--CA 1.476 0.832 0 CA-C-N 119.2 0.909 . . . . 10.0 113.057 174.871 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 62.5 mm-40 -54.22 -49.31 69.71 Favored 'General case' 0 N--CA 1.473 0.719 0 CA-C-N 119.462 1.028 . . . . 10.0 112.128 175.013 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 92' ' ' ILE . . . . . . . . . . . . . 96.7 mt -57.64 -52.71 54.08 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.863 0 C-N-CA 124.0 0.92 . . . . 10.0 111.364 173.629 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 93' ' ' CYS . . . . . . . . . . . . . 68.3 m -57.61 -41.13 80.64 Favored 'General case' 0 CA--C 1.546 0.824 0 C-N-CA 124.33 1.052 . . . . 10.0 112.689 179.72 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 33.1 t -60.05 -47.09 87.32 Favored 'General case' 0 N--CA 1.473 0.678 0 C-N-CA 126.373 1.869 . . . . 10.0 112.682 170.728 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . -60.52 -40.07 90.11 Favored 'General case' 0 CA--C 1.544 0.735 0 C-N-CA 125.425 1.49 . . . . 10.0 114.555 -175.218 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 96' ' ' LYS . . . . . . . . . . . . . 1.2 ptpm? -72.52 55.51 0.35 Allowed 'General case' 0 N--CA 1.485 1.321 0 C-N-CA 125.896 1.678 . . . . 10.0 113.948 -179.781 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 97' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -64.4 143.44 57.9 Favored 'General case' 0 N--CA 1.472 0.67 0 C-N-CA 126.889 2.076 . . . . 10.0 113.903 -179.173 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 98' ' ' CYS . . . . . . . . . . . . . 55.8 m -80.53 140.29 35.91 Favored 'General case' 0 CA--C 1.539 0.522 0 C-N-CA 123.635 0.774 . . . . 10.0 112.8 178.077 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 99' ' ' ASP . . . . . . . . . . . . . 32.1 t70 -62.48 -39.43 93.43 Favored 'General case' 0 CA--C 1.543 0.703 0 C-N-CA 124.866 1.266 . . . . 10.0 113.015 176.409 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 100' ' ' PHE . . . . . . . . . . . . . 7.0 p90 -69.15 -15.45 63.41 Favored 'General case' 0 CA--C 1.543 0.701 0 N-CA-C 115.449 1.648 . . . . 10.0 115.449 -177.12 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 101' ' ' TRP . . . . . . . . . . . . . 46.6 m0 -58.41 136.27 57.42 Favored 'General case' 0 N--CA 1.474 0.731 0 CA-C-N 119.917 1.235 . . . . 10.0 111.497 175.905 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 102' ' ' LEU . . . . . . . . . . . . . 2.6 pt? -137.24 164.19 29.12 Favored 'General case' 0 CA--C 1.541 0.631 0 C-N-CA 126.269 1.828 . . . . 10.0 113.761 -169.049 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 49.5 mt-10 -70.8 115.87 10.45 Favored 'General case' 0 N--CA 1.477 0.894 0 C-N-CA 124.574 1.149 . . . . 10.0 110.32 171.134 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 104' ' ' ARG . . . . . . . . . . . . . 35.3 ptt180 -153.0 170.92 19.22 Favored 'General case' 0 N--CA 1.474 0.735 0 C-N-CA 125.522 1.529 . . . . 10.0 112.448 -177.088 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 105' ' ' GLY . . . . . . . . . . . . . . . -166.42 -161.03 14.55 Favored Glycine 0 CA--C 1.535 1.328 0 C-N-CA 125.708 1.623 . . . . 10.0 112.602 178.834 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 106' ' ' ALA . . . . . . . . . . . . . . . -141.12 155.29 46.13 Favored 'General case' 0 CA--C 1.545 0.781 0 C-N-CA 125.465 1.506 . . . . 10.0 112.184 -179.212 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 107' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.253 1.271 0 C-N-CA 126.754 2.022 . . . . 10.0 112.0 -179.148 . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' A' A ' 1' ' ' ARG . . . . . . . . . . . . . 1.1 tmt_? . . . . . 0 N--CA 1.489 1.51 0 N-CA-C 109.188 -0.671 . . . . 10.0 109.188 . . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' A' A ' 2' ' ' VAL . . . . . . . . . . . . . 7.5 p -68.34 150.44 10.83 Favored 'Isoleucine or valine' 0 N--CA 1.484 1.226 0 C-N-CA 124.857 1.263 . . . . 10.0 112.097 179.164 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -66.8 135.09 53.41 Favored 'General case' 0 CA--C 1.544 0.749 0 O-C-N 121.219 -0.925 . . . . 10.0 111.642 172.319 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 1.4 pm0 -66.6 -17.27 64.74 Favored 'General case' 0 N--CA 1.476 0.842 0 C-N-CA 124.814 1.246 . . . . 10.0 113.628 174.011 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 5' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER -127.67 59.96 1.44 Allowed 'General case' 0 CA--C 1.547 0.838 0 C-N-CA 126.339 1.856 . . . . 10.0 109.478 169.972 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 7.9 ptm180 -69.66 159.89 81.95 Favored Pre-proline 0 N--CA 1.477 0.883 0 C-N-CA 125.099 1.36 . . . . 10.0 112.631 174.632 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 7' ' ' PRO . . . . . . . . . . . . . 87.9 Cg_exo -47.61 122.78 7.29 Favored 'Trans proline' 0 CA--C 1.538 0.683 0 C-N-CA 123.608 2.872 . . . . 10.0 112.326 169.915 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . 115.75 -21.22 12.71 Favored Glycine 0 CA--C 1.537 1.459 0 C-N-CA 127.326 2.393 . . . . 10.0 113.69 -169.851 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -60.44 134.44 57.07 Favored 'General case' 0 CA--C 1.546 0.807 0 CA-C-N 119.465 1.632 . . . . 10.0 113.462 -172.117 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 10' ' ' PHE . . . . . . . . . . . . . 20.5 m-85 -60.86 148.96 37.62 Favored 'General case' 0 CA--C 1.542 0.638 0 C-N-CA 124.156 0.982 . . . . 10.0 113.262 174.742 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 66.1 mt -122.45 97.22 4.63 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.504 0 C-N-CA 126.118 1.767 . . . . 10.0 107.111 169.654 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 93.0 mttt -92.17 85.44 5.46 Favored 'General case' 0 N--CA 1.473 0.697 0 C-N-CA 125.049 1.34 . . . . 10.0 111.197 -176.407 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 27.2 mt-30 -76.94 -27.75 54.96 Favored 'General case' 0 N--CA 1.473 0.676 0 C-N-CA 123.624 0.77 . . . . 10.0 111.339 169.729 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . 76.88 17.42 79.86 Favored Glycine 0 CA--C 1.536 1.369 0 C-N-CA 125.044 1.307 . . . . 10.0 113.993 -179.052 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 38.6 ttp180 -69.77 132.31 45.89 Favored 'General case' 0 N--CA 1.47 0.574 0 C-N-CA 126.562 1.945 . . . . 10.0 110.727 176.29 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 73.6 tttt -77.27 99.53 5.53 Favored 'General case' 0 N--CA 1.473 0.698 0 C-N-CA 124.983 1.313 . . . . 10.0 110.691 178.287 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 90.7 mt -74.1 174.89 8.03 Favored 'General case' 0 CA--C 1.544 0.748 0 C-N-CA 126.014 1.726 . . . . 10.0 112.854 -178.783 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 19.2 t0 -125.4 93.84 3.98 Favored 'General case' 0 CA--C 1.542 0.635 0 C-N-CA 125.94 1.696 . . . . 10.0 110.337 174.789 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . 85.7 mt -134.37 134.69 54.71 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.693 0 C-N-CA 127.411 2.285 . . . . 10.0 108.602 -179.11 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 24.2 t0 -85.97 101.12 12.62 Favored 'General case' 0 CA--C 1.537 0.474 0 CA-C-O 121.823 0.821 . . . . 10.0 109.226 169.247 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 21' ' ' PHE . . . . . . . . . . . . . 82.3 m-85 -80.41 -36.86 33.2 Favored 'General case' 0 CA--C 1.539 0.548 0 C-N-CA 126.594 1.957 . . . . 10.0 111.521 171.82 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 124.15 165.71 12.3 Favored Glycine 0 CA--C 1.534 1.259 0 C-N-CA 127.463 2.459 . . . . 10.0 110.698 -169.731 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -48.58 -47.14 39.88 Favored 'General case' 0 CA--C 1.545 0.788 0 N-CA-C 115.266 1.58 . . . . 10.0 115.266 -170.195 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 35.3 mt-10 -62.68 -55.45 26.69 Favored 'General case' 0 N--CA 1.473 0.687 0 C-N-CA 125.82 1.648 . . . . 10.0 111.498 175.333 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -68.69 -36.86 83.74 Favored Glycine 0 CA--C 1.528 0.894 0 C-N-CA 125.031 1.3 . . . . 10.0 114.141 -173.793 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 91.3 m-20 -57.26 -51.15 70.52 Favored 'General case' 0 CA--C 1.536 0.409 0 C-N-CA 125.476 1.511 . . . . 10.0 109.997 173.799 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 77.2 mtt85 -59.98 -47.48 85.66 Favored 'General case' 0 N--CA 1.477 0.876 0 C-N-CA 124.369 1.067 . . . . 10.0 112.127 175.462 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 28' ' ' TYR . . . . . . . . . . . . . 75.5 t80 -59.36 -54.42 46.99 Favored 'General case' 0 CA--C 1.536 0.435 0 C-N-CA 124.246 1.019 . . . . 10.0 112.407 178.526 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 29' ' ' TYR . . . . . . . . . . . . . 77.1 t80 -56.63 -50.94 70.55 Favored 'General case' 0 CA--C 1.533 0.323 0 C-N-CA 124.692 1.197 . . . . 10.0 112.104 177.785 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -49.65 -31.59 11.27 Favored 'General case' 0 CA--C 1.547 0.836 0 N-CA-C 114.089 1.144 . . . . 10.0 114.089 176.545 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -92.26 -25.93 18.39 Favored 'General case' 0 CA--C 1.552 1.04 0 C-N-CA 126.086 1.754 . . . . 10.0 115.17 176.812 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 32' ' ' ASN . . . . . . . . . . . . . 57.7 m-80 -124.96 6.76 7.98 Favored 'General case' 0 N--CA 1.478 0.97 0 N-CA-C 116.238 1.94 . . . . 10.0 116.238 -169.314 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 33' ' ' TYR . . . . . . . . . . . . . 52.3 p90 -45.04 -36.18 3.37 Favored 'General case' 0 N--CA 1.477 0.886 0 C-N-CA 127.461 2.304 . . . . 10.0 115.375 -176.841 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 34' ' ' TRP . . . . . . . . . . . . . 62.5 p-90 -49.83 -35.25 22.34 Favored 'General case' 0 CA--C 1.546 0.804 0 C-N-CA 126.466 1.906 . . . . 10.0 114.688 176.628 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 32.0 mt-30 -70.2 -35.47 73.95 Favored 'General case' 0 N--CA 1.475 0.819 0 N-CA-C 114.244 1.202 . . . . 10.0 114.244 179.139 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 36' ' ' PHE . . . . . . . . . . . . . 76.8 m-85 -72.65 155.05 91.27 Favored Pre-proline 0 CA--C 1.544 0.749 0 C-N-CA 126.331 1.852 . . . . 10.0 115.341 -168.945 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 83.8 Cg_endo -73.41 135.15 21.84 Favored 'Trans proline' 0 CA--C 1.541 0.861 0 C-N-CA 123.492 2.795 . . . . 10.0 110.241 169.457 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 5.4 t70 -86.08 -37.15 19.16 Favored 'General case' 0 CA--C 1.541 0.633 0 C-N-CA 124.875 1.27 . . . . 10.0 111.381 171.615 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . -133.19 173.93 20.84 Favored Glycine 0 CA--C 1.531 1.082 0 C-N-CA 125.788 1.661 . . . . 10.0 112.161 173.273 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 40' ' ' ILE . . . . . . . . . . . . . 96.1 mt -135.84 123.82 36.56 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.575 0 C-N-CA 125.216 1.406 . . . . 10.0 108.32 175.887 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 41' ' ' TYR . . . . . . . . . . . . . 85.9 t80 -70.44 105.7 3.15 Favored 'General case' 0 CA--C 1.535 0.375 0 C-N-CA 124.907 1.283 . . . . 10.0 109.704 172.695 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 42' ' ' TYR . . . . . . . . . . . . . 61.3 t80 -152.47 144.12 23.51 Favored 'General case' 0 CA--C 1.538 0.482 0 C-N-CA 123.773 0.829 . . . . 10.0 111.934 179.263 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 53.2 mt-10 -132.71 84.07 2.12 Favored 'General case' 0 N--CA 1.471 0.614 0 C-N-CA 125.806 1.643 . . . . 10.0 110.362 -176.83 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . -84.19 -56.84 2.48 Favored Glycine 0 CA--C 1.534 1.23 0 C-N-CA 124.961 1.267 . . . . 10.0 113.624 -176.466 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 45' ' ' CYS . . . . . . . . . . . . . 20.0 m -63.46 141.9 58.59 Favored 'General case' 0 CA--C 1.54 0.586 0 C-N-CA 125.524 1.53 . . . . 10.0 114.14 -176.24 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 50.5 p -145.52 -52.61 0.27 Allowed 'General case' 0 N--CA 1.471 0.62 0 C-N-CA 126.769 2.027 . . . . 10.0 111.362 178.343 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 11.2 pt-20 -139.63 162.14 35.82 Favored 'General case' 0 CA--C 1.542 0.65 0 C-N-CA 126.822 2.049 . . . . 10.0 112.454 178.58 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -51.3 -28.51 12.24 Favored 'General case' 0 CA--C 1.545 0.771 0 C-N-CA 126.56 1.944 . . . . 10.0 115.769 -174.891 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 72.0 m-20 -62.2 -29.82 70.64 Favored 'General case' 0 CA--C 1.546 0.798 0 C-N-CA 124.516 1.126 . . . . 10.0 113.503 175.515 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . 59.4 t -69.95 112.33 4.66 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.882 0 C-N-CA 124.627 1.171 . . . . 10.0 109.75 172.97 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 34.5 p -90.24 172.94 8.43 Favored 'General case' 0 N--CA 1.478 0.959 0 C-N-CA 123.862 0.865 . . . . 10.0 112.321 -179.842 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 82.2 tttt -62.27 -48.38 80.17 Favored 'General case' 0 N--CA 1.472 0.648 0 O-C-N 121.411 -0.806 . . . . 10.0 111.679 169.765 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 44.7 mt-10 -52.6 -46.22 66.87 Favored 'General case' 0 N--CA 1.473 0.677 0 C-N-CA 124.157 0.983 . . . . 10.0 112.072 175.65 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 54' ' ' MET . . . . . . . . . . . . . 94.0 mtp -55.82 -58.81 6.29 Favored 'General case' 0 CA--C 1.536 0.439 0 C-N-CA 124.121 0.968 . . . . 10.0 111.832 169.975 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 9.7 tt -58.18 -54.23 49.37 Favored 'General case' 0 CA--C 1.535 0.383 0 C-N-CA 124.253 1.021 . . . . 10.0 113.37 -174.729 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 84.5 t -56.03 -48.78 78.34 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.918 0 C-N-CA 124.947 1.299 . . . . 10.0 110.627 -177.312 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 57' ' ' THR . . . . . . . . . . . . . 35.4 m -61.63 -49.14 77.77 Favored 'General case' 0 N--CA 1.476 0.87 0 C-N-CA 124.761 1.225 . . . . 10.0 111.822 175.817 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 49.3 m -60.7 -37.61 82.24 Favored 'General case' 0 N--CA 1.472 0.643 0 C-N-CA 124.206 1.003 . . . . 10.0 112.591 178.286 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 59' ' ' CYS . . . . . . . . . . . . . 31.6 t -58.12 -50.39 73.66 Favored 'General case' 0 CA--C 1.538 0.518 0 C-N-CA 125.951 1.7 . . . . 10.0 112.425 171.58 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 60' ' ' VAL . . . . . . . . . . . . . 50.6 t -56.31 -43.53 77.22 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.122 0 O-C-N 121.172 -0.955 . . . . 10.0 111.96 173.19 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 61' ' ' ASN . . . . . . . . . . . . . 19.2 m-80 -63.29 -46.5 86.46 Favored 'General case' 0 CA--C 1.544 0.739 0 C-N-CA 124.481 1.113 . . . . 10.0 112.967 174.43 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -60.65 -45.13 95.24 Favored 'General case' 0 CA--C 1.537 0.472 0 C-N-CA 124.554 1.141 . . . . 10.0 111.488 176.271 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 63' ' ' THR . . . . . . . . . . . . . 29.1 m -55.78 -48.59 75.05 Favored 'General case' 0 N--CA 1.472 0.632 0 C-N-CA 125.16 1.384 . . . . 10.0 111.558 177.072 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 64' ' ' GLN . . . . . . . . . . . . . 42.6 mt-30 -51.24 -59.22 4.44 Favored 'General case' 0 N--CA 1.469 0.487 0 C-N-CA 124.108 0.963 . . . . 10.0 111.666 171.463 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -56.36 -42.82 78.42 Favored 'General case' 0 CA--C 1.546 0.789 0 C-N-CA 125.898 1.679 . . . . 10.0 114.025 -178.221 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -68.8 -42.71 76.96 Favored 'General case' 0 CA--C 1.542 0.639 0 C-N-CA 125.044 1.338 . . . . 10.0 114.022 178.377 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 67' ' ' ASN . . . . . . . . . . . . . 8.4 m-80 -114.89 37.27 3.52 Favored 'General case' 0 CA--C 1.544 0.718 0 C-N-CA 124.21 1.004 . . . . 10.0 112.583 -169.849 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 68' ' ' GLN . . . . . . . . . . . . . 60.3 mt-30 -50.16 -52.77 32.63 Favored 'General case' 0 N--CA 1.474 0.744 0 C-N-CA 125.921 1.688 . . . . 10.0 112.224 -179.342 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -51.55 -52.01 50.69 Favored 'General case' 0 CA--C 1.54 0.575 0 C-N-CA 125.286 1.434 . . . . 10.0 112.742 178.538 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 6.4 mm-40 -57.19 -48.21 79.34 Favored 'General case' 0 N--CA 1.473 0.693 0 C-N-CA 124.996 1.318 . . . . 10.0 112.847 -179.259 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 71' ' ' PHE . . . . . . . . . . . . . 37.0 m-85 -60.67 -58.26 9.23 Favored 'General case' 0 CA--C 1.537 0.472 0 C-N-CA 122.797 0.439 . . . . 10.0 111.409 174.27 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 66.7 m -56.11 -51.51 67.67 Favored 'General case' 0 N--CA 1.472 0.643 0 C-N-CA 125.231 1.412 . . . . 10.0 114.047 -176.551 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 73' ' ' ARG . . . . . . . . . . . . . 7.1 ppt_? -58.84 -46.13 88.41 Favored 'General case' 0 N--CA 1.479 0.993 0 C-N-CA 124.605 1.162 . . . . 10.0 113.142 -176.472 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 18.2 mt-10 -64.98 -52.12 57.98 Favored 'General case' 0 N--CA 1.467 0.416 0 C-N-CA 123.822 0.849 . . . . 10.0 112.851 173.25 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 58.5 tptt -48.41 -26.67 2.2 Favored 'General case' 0 N--CA 1.482 1.143 0 C-N-CA 126.875 2.07 . . . . 10.0 115.188 -175.33 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 76' ' ' GLN . . . . . . . . . . . . . 73.0 mm-40 -53.34 -32.45 49.16 Favored 'General case' 0 CA--C 1.546 0.803 0 C-N-CA 124.711 1.204 . . . . 10.0 113.8 172.873 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 32.1 t70 -135.25 -44.27 0.7 Allowed 'General case' 0 CA--C 1.545 0.766 0 C-N-CA 126.061 1.744 . . . . 10.0 113.223 -176.051 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 6.8 t -62.19 135.97 57.73 Favored 'General case' 0 N--CA 1.47 0.545 0 C-N-CA 126.546 1.939 . . . . 10.0 112.647 -179.499 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 40.3 ttpt -120.4 -76.38 0.58 Allowed 'General case' 0 N--CA 1.476 0.837 0 C-N-CA 125.817 1.647 . . . . 10.0 111.751 -174.337 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 42.6 tp -57.74 -38.18 74.89 Favored 'General case' 0 N--CA 1.471 0.611 0 C-N-CA 124.508 1.123 . . . . 10.0 112.851 -177.288 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 81' ' ' HIS . . . . . . . . . . . . . 16.9 t-160 -50.43 -48.57 56.25 Favored 'General case' 0 N--CA 1.471 0.577 0 CA-C-N 118.959 0.8 . . . . 10.0 112.55 -178.886 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 82' ' ' GLN . . . . . . . . . . . . . 87.8 mm-40 -51.73 -52.67 46.75 Favored 'General case' 0 N--CA 1.471 0.601 0 C-N-CA 124.641 1.176 . . . . 10.0 111.974 -179.89 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 83' ' ' ARG . . . . . . . . . . . . . 76.6 mtp180 -51.13 -55.37 18.12 Favored 'General case' 0 N--CA 1.48 1.065 0 C-N-CA 125.453 1.501 . . . . 10.0 111.748 178.006 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 84' ' ' VAL . . . . . . . . . . . . . 18.8 t -60.45 -52.93 55.71 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.807 0 C-N-CA 126.086 1.755 . . . . 10.0 111.121 178.801 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 85' ' ' LEU . . . . . . . . . . . . . 49.0 tp -54.31 -49.8 68.83 Favored 'General case' 0 CA--C 1.538 0.49 0 C-N-CA 126.5 1.92 . . . . 10.0 112.619 178.706 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 86' ' ' TRP . . . . . . . . . . . . . 68.0 m95 -61.81 -43.31 99.11 Favored 'General case' 0 N--CA 1.469 0.523 0 N-CA-C 113.845 1.054 . . . . 10.0 113.845 176.363 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 87' ' ' ARG . . . . . . . . . . . . . 26.2 tpt180 -55.17 -47.93 74.5 Favored 'General case' 0 N--CA 1.476 0.854 0 C-N-CA 123.529 0.732 . . . . 10.0 111.396 169.971 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 88' ' ' LEU . . . . . . . . . . . . . 1.3 tt -57.91 -54.39 47.45 Favored 'General case' 0 CA--C 1.546 0.794 0 C-N-CA 124.677 1.191 . . . . 10.0 112.139 175.117 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 89' ' ' ILE . . . . . . . . . . . . . 76.5 mt -50.14 -51.63 16.85 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.855 0 C-N-CA 125.202 1.401 . . . . 10.0 110.86 174.617 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 86.5 tttt -58.82 -45.59 89.64 Favored 'General case' 0 N--CA 1.469 0.482 0 C-N-CA 124.11 0.964 . . . . 10.0 112.747 177.198 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 18.4 mm-40 -56.64 -47.06 80.54 Favored 'General case' 0 CA--C 1.542 0.651 0 CA-C-N 119.73 1.15 . . . . 10.0 112.553 172.476 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 92' ' ' ILE . . . . . . . . . . . . . 93.3 mt -55.35 -55.9 14.45 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.958 0 C-N-CA 123.892 0.877 . . . . 10.0 110.791 172.224 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 93' ' ' CYS . . . . . . . . . . . . . 90.2 m -56.12 -46.83 79.02 Favored 'General case' 0 CA--C 1.543 0.708 0 C-N-CA 123.726 0.81 . . . . 10.0 112.164 179.032 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 57.5 m -57.78 -37.02 72.96 Favored 'General case' 0 N--CA 1.476 0.829 0 C-N-CA 126.132 1.773 . . . . 10.0 113.813 176.432 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . -66.11 -28.02 68.49 Favored 'General case' 0 CA--C 1.548 0.874 0 N-CA-C 113.97 1.1 . . . . 10.0 113.97 177.572 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 96' ' ' LYS . . . . . . . . . . . . . 41.8 mttm -59.97 120.07 8.96 Favored 'General case' 0 N--CA 1.477 0.92 0 C-N-CA 125.01 1.324 . . . . 10.0 111.83 -177.66 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 97' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -126.19 146.8 49.82 Favored 'General case' 0 N--CA 1.468 0.448 0 C-N-CA 126.696 1.998 . . . . 10.0 113.449 -174.036 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 98' ' ' CYS . . . . . . . . . . . . . 56.1 m -128.84 129.1 45.14 Favored 'General case' 0 N--CA 1.47 0.536 0 C-N-CA 124.863 1.265 . . . . 10.0 111.367 -177.25 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 99' ' ' ASP . . . . . . . . . . . . . 12.8 m-20 -57.58 -36.98 72.43 Favored 'General case' 0 N--CA 1.472 0.626 0 C-N-CA 125.36 1.464 . . . . 10.0 113.756 -174.006 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 100' ' ' PHE . . . . . . . . . . . . . 5.4 p90 -70.29 -15.76 62.93 Favored 'General case' 0 CA--C 1.542 0.653 0 N-CA-C 115.249 1.574 . . . . 10.0 115.249 -177.923 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 101' ' ' TRP . . . . . . . . . . . . . 43.9 m0 -59.49 119.44 7.51 Favored 'General case' 0 N--CA 1.472 0.663 0 CA-C-N 119.862 1.21 . . . . 10.0 111.981 179.686 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 102' ' ' LEU . . . . . . . . . . . . . 5.6 mp -73.18 152.24 41.19 Favored 'General case' 0 CA--C 1.542 0.652 0 C-N-CA 125.448 1.499 . . . . 10.0 112.594 -170.681 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 31.9 tt0 -140.09 -65.48 0.46 Allowed 'General case' 0 N--CA 1.473 0.694 0 C-N-CA 125.768 1.627 . . . . 10.0 110.471 174.137 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 104' ' ' ARG . . . . . . . . . . . . . 20.4 ptp180 -123.43 6.63 8.98 Favored 'General case' 0 N--CA 1.48 1.057 0 C-N-CA 126.681 1.992 . . . . 10.0 113.764 -178.501 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 105' ' ' GLY . . . . . . . . . . . . . . . 179.78 174.05 45.37 Favored Glycine 0 CA--C 1.536 1.361 0 C-N-CA 127.288 2.375 . . . . 10.0 112.056 -179.331 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 106' ' ' ALA . . . . . . . . . . . . . . . -90.61 -178.06 5.19 Favored 'General case' 0 CA--C 1.55 0.95 0 C-N-CA 125.394 1.478 . . . . 10.0 112.828 177.558 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 107' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.254 1.323 0 C-N-CA 126.811 2.044 . . . . 10.0 112.005 179.424 . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' A' A ' 1' ' ' ARG . . . . . . . . . . . . . 95.9 mtt-85 . . . . . 0 N--CA 1.49 1.534 0 CA-C-O 120.517 0.198 . . . . 10.0 110.67 . . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' A' A ' 2' ' ' VAL . . . . . . . . . . . . . 7.3 p -62.17 155.29 4.87 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.091 0 C-N-CA 124.86 1.264 . . . . 10.0 111.733 171.296 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -56.78 145.2 30.06 Favored 'General case' 0 CA--C 1.544 0.744 0 C-N-CA 124.135 0.974 . . . . 10.0 112.215 171.781 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 13.1 pt-20 -84.66 -16.42 41.95 Favored 'General case' 0 N--CA 1.475 0.8 0 C-N-CA 125.047 1.339 . . . . 10.0 113.5 178.901 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 5' ' ' ASN . . . . . . . . . . . . . 56.5 t30 -126.96 64.53 1.3 Allowed 'General case' 0 CA--C 1.542 0.64 0 C-N-CA 126.553 1.941 . . . . 10.0 109.987 -179.076 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 67.2 mtm-85 -66.16 143.82 98.51 Favored Pre-proline 0 N--CA 1.475 0.81 0 C-N-CA 126.972 2.109 . . . . 10.0 111.391 178.165 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 7' ' ' PRO . . . . . . . . . . . . . 51.8 Cg_exo -53.79 116.09 2.78 Favored 'Trans proline' 0 CA--C 1.542 0.879 0 C-N-CA 122.656 2.237 . . . . 10.0 110.78 169.467 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . 112.62 -14.73 24.7 Favored Glycine 0 CA--C 1.538 1.515 0 C-N-CA 126.393 1.949 . . . . 10.0 114.223 -169.891 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -61.74 134.76 57.14 Favored 'General case' 0 CA--C 1.542 0.636 0 CA-C-N 119.803 1.801 . . . . 10.0 113.469 -171.135 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 10' ' ' PHE . . . . . . . . . . . . . 20.8 m-30 -58.06 145.56 36.03 Favored 'General case' 0 CA--C 1.539 0.554 0 C-N-CA 124.809 1.244 . . . . 10.0 112.69 171.135 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 57.8 mt -121.23 117.57 53.23 Favored 'Isoleucine or valine' 0 C--O 1.237 0.432 0 C-N-CA 125.71 1.604 . . . . 10.0 107.183 169.899 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 86.2 mttt -117.01 80.53 1.5 Allowed 'General case' 0 N--CA 1.472 0.649 0 C-N-CA 125.783 1.633 . . . . 10.0 110.04 -174.646 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 35.9 mt-30 -74.88 -42.38 57.98 Favored 'General case' 0 CA--C 1.538 0.5 0 C-N-CA 125.971 1.708 . . . . 10.0 110.481 171.932 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . 101.64 68.19 0.82 Allowed Glycine 0 CA--C 1.529 0.962 0 C-N-CA 125.682 1.61 . . . . 10.0 110.768 -178.154 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 43.8 ttp85 -135.55 109.32 8.07 Favored 'General case' 0 N--CA 1.47 0.538 0 C-N-CA 126.746 2.019 . . . . 10.0 110.295 -169.677 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 77.1 tttt -70.97 121.46 18.19 Favored 'General case' 0 N--CA 1.475 0.778 0 C-N-CA 125.658 1.583 . . . . 10.0 111.184 -177.636 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 73.6 mt -95.9 177.53 5.73 Favored 'General case' 0 CA--C 1.545 0.782 0 C-N-CA 125.882 1.673 . . . . 10.0 112.72 -175.524 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 18.2 t0 -126.99 90.4 3.15 Favored 'General case' 0 CA--C 1.543 0.684 0 C-N-CA 126.166 1.786 . . . . 10.0 110.819 179.855 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . 56.6 mt -136.01 130.23 48.38 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.746 0 C-N-CA 127.415 2.286 . . . . 10.0 108.482 -175.935 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 23.0 t0 -90.48 86.0 6.31 Favored 'General case' 0 CA--C 1.539 0.524 0 CA-C-O 121.959 0.885 . . . . 10.0 110.82 173.241 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 21' ' ' PHE . . . . . . . . . . . . . 80.0 m-85 -62.84 -42.58 99.8 Favored 'General case' 0 CA--C 1.54 0.576 0 C-N-CA 126.711 2.004 . . . . 10.0 111.778 171.077 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 133.32 154.48 7.45 Favored Glycine 0 CA--C 1.533 1.168 0 C-N-CA 127.914 2.673 . . . . 10.0 109.608 -169.69 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -40.11 -58.31 1.48 Allowed 'General case' 0 CA--C 1.547 0.864 0 N-CA-C 115.49 1.663 . . . . 10.0 115.49 -169.518 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 34.6 tt0 -66.57 -42.57 86.81 Favored 'General case' 0 CA--C 1.545 0.781 0 C-N-CA 124.15 0.98 . . . . 10.0 112.916 -179.698 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -66.12 -39.85 94.79 Favored Glycine 0 CA--C 1.535 1.295 0 C-N-CA 124.562 1.077 . . . . 10.0 113.847 176.679 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 86.1 m-20 -56.18 -50.34 71.47 Favored 'General case' 0 CA--C 1.535 0.366 0 C-N-CA 126.069 1.747 . . . . 10.0 110.313 172.306 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 66.8 mtp180 -58.81 -45.98 88.66 Favored 'General case' 0 N--CA 1.474 0.728 0 C-N-CA 125.115 1.366 . . . . 10.0 111.389 176.291 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 28' ' ' TYR . . . . . . . . . . . . . 74.7 t80 -60.03 -54.42 46.18 Favored 'General case' 0 CA--C 1.537 0.459 0 C-N-CA 124.059 0.944 . . . . 10.0 112.044 177.545 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 29' ' ' TYR . . . . . . . . . . . . . 85.2 t80 -55.2 -51.7 65.69 Favored 'General case' 0 CA--C 1.537 0.478 0 C-N-CA 124.164 0.985 . . . . 10.0 112.228 175.175 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -51.22 -36.48 41.86 Favored 'General case' 0 CA--C 1.546 0.793 0 C-N-CA 124.496 1.118 . . . . 10.0 113.802 178.587 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -86.83 -23.51 25.29 Favored 'General case' 0 CA--C 1.55 0.957 0 N-CA-C 115.009 1.485 . . . . 10.0 115.009 176.606 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 32' ' ' ASN . . . . . . . . . . . . . 60.6 m-80 -125.9 8.77 7.48 Favored 'General case' 0 CA--C 1.547 0.832 0 N-CA-C 116.475 2.028 . . . . 10.0 116.475 -169.227 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 33' ' ' TYR . . . . . . . . . . . . . 51.7 p90 -49.17 -29.1 5.02 Favored 'General case' 0 N--CA 1.479 0.98 0 C-N-CA 126.144 1.778 . . . . 10.0 115.217 -176.921 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 34' ' ' TRP . . . . . . . . . . . . . 63.7 p-90 -52.57 -35.75 54.51 Favored 'General case' 0 CA--C 1.546 0.816 0 C-N-CA 125.95 1.7 . . . . 10.0 114.367 171.994 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 29.5 mt-30 -69.99 -41.17 74.75 Favored 'General case' 0 N--CA 1.475 0.784 0 C-N-CA 124.147 0.979 . . . . 10.0 112.916 176.229 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 36' ' ' PHE . . . . . . . . . . . . . 86.9 m-85 -71.07 154.76 93.94 Favored Pre-proline 0 CA--C 1.547 0.835 0 C-N-CA 126.129 1.772 . . . . 10.0 114.385 -169.752 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 92.2 Cg_endo -74.0 131.9 16.14 Favored 'Trans proline' 0 CA--C 1.537 0.671 0 C-N-CA 123.665 2.91 . . . . 10.0 110.328 169.377 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 4.2 p30 -94.25 -30.03 14.78 Favored 'General case' 0 N--CA 1.473 0.676 0 O-C-N 121.326 -0.859 . . . . 10.0 111.758 170.024 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . -120.82 165.19 14.02 Favored Glycine 0 CA--C 1.536 1.401 0 C-N-CA 125.184 1.373 . . . . 10.0 111.772 169.204 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 40' ' ' ILE . . . . . . . . . . . . . 87.1 mt -136.46 123.89 33.11 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.841 0 C-N-CA 124.936 1.295 . . . . 10.0 108.828 171.688 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 41' ' ' TYR . . . . . . . . . . . . . 89.9 t80 -73.95 114.15 11.93 Favored 'General case' 0 CA--C 1.535 0.396 0 C-N-CA 124.943 1.297 . . . . 10.0 109.91 171.315 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 42' ' ' TYR . . . . . . . . . . . . . 40.6 t80 -153.94 153.18 31.56 Favored 'General case' 0 CA--C 1.541 0.624 0 C-N-CA 124.124 0.969 . . . . 10.0 111.606 176.875 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 47.2 mt-10 -126.75 59.95 1.37 Allowed 'General case' 0 N--CA 1.474 0.731 0 C-N-CA 125.845 1.658 . . . . 10.0 110.659 -174.102 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . -74.24 -31.55 59.24 Favored Glycine 0 CA--C 1.532 1.103 0 C-N-CA 125.06 1.314 . . . . 10.0 115.154 -174.716 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 45' ' ' CYS . . . . . . . . . . . . . 84.7 m -75.06 74.28 2.24 Favored 'General case' 0 CA--C 1.544 0.717 0 C-N-CA 125.285 1.434 . . . . 10.0 112.675 -174.657 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 23.0 t -77.6 -55.48 5.32 Favored 'General case' 0 CA--C 1.537 0.459 0 C-N-CA 125.282 1.433 . . . . 10.0 112.139 176.558 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 14.5 pt-20 -154.99 154.37 32.43 Favored 'General case' 0 N--CA 1.471 0.61 0 C-N-CA 125.13 1.372 . . . . 10.0 113.249 -169.837 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -52.11 -27.75 15.26 Favored 'General case' 0 CA--C 1.547 0.852 0 N-CA-C 115.11 1.522 . . . . 10.0 115.11 179.399 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 77.1 m-20 -65.96 -29.74 70.19 Favored 'General case' 0 CA--C 1.546 0.791 0 C-N-CA 124.689 1.196 . . . . 10.0 113.673 174.977 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . 0.8 OUTLIER -66.74 125.31 23.81 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.812 0 CA-C-N 119.502 1.046 . . . . 10.0 109.673 174.885 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 74.9 p -93.16 171.52 8.89 Favored 'General case' 0 N--CA 1.475 0.784 0 C-N-CA 124.571 1.148 . . . . 10.0 110.782 -179.98 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 85.6 tttt -57.97 -51.68 68.63 Favored 'General case' 0 N--CA 1.47 0.575 0 O-C-N 121.641 -0.662 . . . . 10.0 110.623 169.582 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 28.0 mm-40 -49.9 -50.37 46.38 Favored 'General case' 0 N--CA 1.473 0.707 0 C-N-CA 124.157 0.983 . . . . 10.0 112.256 177.363 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 54' ' ' MET . . . . . . . . . . . . . 60.0 mtm -60.08 -48.6 81.03 Favored 'General case' 0 CA--C 1.537 0.454 0 N-CA-C 112.99 0.737 . . . . 10.0 112.99 172.84 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 9.6 tt -59.4 -52.04 67.32 Favored 'General case' 0 N--CA 1.467 0.423 0 CA-C-N 119.664 1.12 . . . . 10.0 112.558 179.887 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 40.1 t -58.22 -48.62 84.22 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.917 0 C-N-CA 124.567 1.147 . . . . 10.0 110.78 -179.721 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 57' ' ' THR . . . . . . . . . . . . . 61.8 m -56.78 -51.33 69.33 Favored 'General case' 0 N--CA 1.477 0.916 0 C-N-CA 124.386 1.074 . . . . 10.0 111.794 174.669 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 45.3 m -62.35 -39.99 94.94 Favored 'General case' 0 N--CA 1.472 0.667 0 C-N-CA 124.264 1.025 . . . . 10.0 112.605 178.893 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 59' ' ' CYS . . . . . . . . . . . . . 44.7 t -58.47 -49.55 76.91 Favored 'General case' 0 CA--C 1.536 0.42 0 C-N-CA 126.217 1.807 . . . . 10.0 112.26 172.965 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 60' ' ' VAL . . . . . . . . . . . . . 44.0 t -54.94 -48.36 75.2 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.896 0 C-N-CA 124.317 1.047 . . . . 10.0 111.519 171.744 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 61' ' ' ASN . . . . . . . . . . . . . 17.8 m-80 -59.76 -44.94 93.61 Favored 'General case' 0 CA--C 1.546 0.796 0 C-N-CA 124.596 1.158 . . . . 10.0 113.476 175.223 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -61.0 -47.23 87.42 Favored 'General case' 0 CA--C 1.539 0.551 0 C-N-CA 124.265 1.026 . . . . 10.0 111.311 174.635 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 63' ' ' THR . . . . . . . . . . . . . 37.0 m -54.8 -49.72 70.29 Favored 'General case' 0 N--CA 1.47 0.555 0 C-N-CA 125.19 1.396 . . . . 10.0 111.655 177.078 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 64' ' ' GLN . . . . . . . . . . . . . 55.5 mt-30 -46.88 -60.31 2.51 Favored 'General case' 0 N--CA 1.474 0.751 0 C-N-CA 125.075 1.35 . . . . 10.0 111.976 172.28 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -56.19 -43.51 78.53 Favored 'General case' 0 CA--C 1.543 0.676 0 C-N-CA 125.403 1.481 . . . . 10.0 113.468 -179.55 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -74.53 -30.96 61.98 Favored 'General case' 0 CA--C 1.545 0.778 0 N-CA-C 115.207 1.558 . . . . 10.0 115.207 -176.775 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 67' ' ' ASN . . . . . . . . . . . . . 6.8 m-80 -125.34 39.38 3.98 Favored 'General case' 0 N--CA 1.48 1.054 0 CA-C-N 120.179 1.354 . . . . 10.0 113.214 -170.295 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 68' ' ' GLN . . . . . . . . . . . . . 70.5 mt-30 -51.81 -39.1 58.14 Favored 'General case' 0 N--CA 1.476 0.832 0 C-N-CA 126.345 1.858 . . . . 10.0 115.032 -172.559 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -51.42 -58.86 5.09 Favored 'General case' 0 CA--C 1.544 0.748 0 C-N-CA 125.216 1.406 . . . . 10.0 113.47 -176.614 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 44.1 mt-10 -62.81 -27.27 69.2 Favored 'General case' 0 N--CA 1.476 0.833 0 C-N-CA 123.907 0.883 . . . . 10.0 113.176 179.891 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 71' ' ' PHE . . . . . . . . . . . . . 13.5 m-85 -83.55 1.29 42.73 Favored 'General case' 0 CA--C 1.544 0.712 0 C-N-CA 124.862 1.265 . . . . 10.0 114.346 175.214 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 31.0 t -132.93 -58.8 0.9 Allowed 'General case' 0 N--CA 1.472 0.653 0 C-N-CA 124.637 1.175 . . . . 10.0 113.231 -170.694 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 73' ' ' ARG . . . . . . . . . . . . . 38.8 mmt180 -61.98 -52.04 65.63 Favored 'General case' 0 N--CA 1.475 0.786 0 C-N-CA 125.123 1.369 . . . . 10.0 112.926 -172.9 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 11.4 pt-20 -89.97 -25.25 20.98 Favored 'General case' 0 N--CA 1.475 0.816 0 N-CA-C 114.316 1.228 . . . . 10.0 114.316 -175.792 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 79.0 tttt -34.22 -52.74 0.48 Allowed 'General case' 0 N--CA 1.48 1.066 0 C-N-CA 128.803 2.841 . . . . 10.0 115.452 -174.116 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 76' ' ' GLN . . . . . . . . . . . . . 4.5 mp0 -54.88 -46.83 74.82 Favored 'General case' 0 CA--C 1.542 0.639 0 C-N-CA 125.892 1.677 . . . . 10.0 112.547 -175.017 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 33.1 t70 -84.62 -48.66 9.27 Favored 'General case' 0 CA--C 1.542 0.656 0 C-N-CA 125.122 1.369 . . . . 10.0 111.991 174.565 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 2.7 t -80.62 49.96 1.25 Allowed 'General case' 0 CA--C 1.543 0.698 0 C-N-CA 127.519 2.327 . . . . 10.0 112.787 -171.816 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 99.5 mttt -57.26 -55.3 36.5 Favored 'General case' 0 N--CA 1.476 0.85 0 C-N-CA 126.291 1.836 . . . . 10.0 112.848 -172.57 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 59.0 tp -56.53 -43.32 79.72 Favored 'General case' 0 N--CA 1.469 0.512 0 C-N-CA 124.691 1.196 . . . . 10.0 112.067 177.88 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 81' ' ' HIS . . . . . . . . . . . . . 17.0 t-160 -51.81 -51.56 55.56 Favored 'General case' 0 N--CA 1.468 0.428 0 CA-C-O 118.378 -0.82 . . . . 10.0 111.025 177.846 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 82' ' ' GLN . . . . . . . . . . . . . 95.3 mm-40 -51.57 -51.08 58.39 Favored 'General case' 0 N--CA 1.471 0.584 0 C-N-CA 123.84 0.856 . . . . 10.0 112.386 176.778 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 83' ' ' ARG . . . . . . . . . . . . . 47.5 mmt-85 -56.65 -55.02 39.34 Favored 'General case' 0 N--CA 1.479 1.012 0 C-N-CA 124.078 0.951 . . . . 10.0 111.972 -178.648 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 84' ' ' VAL . . . . . . . . . . . . . 44.9 t -59.75 -49.79 82.49 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.806 0 C-N-CA 125.689 1.595 . . . . 10.0 110.793 177.78 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 85' ' ' LEU . . . . . . . . . . . . . 50.4 tp -56.29 -49.72 73.47 Favored 'General case' 0 N--CA 1.469 0.482 0 C-N-CA 126.394 1.878 . . . . 10.0 112.501 178.301 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 86' ' ' TRP . . . . . . . . . . . . . 53.2 m95 -61.6 -44.24 97.37 Favored 'General case' 0 N--CA 1.468 0.467 0 N-CA-C 113.803 1.038 . . . . 10.0 113.803 175.672 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 87' ' ' ARG . . . . . . . . . . . . . 13.8 tpt180 -55.16 -50.58 68.94 Favored 'General case' 0 N--CA 1.473 0.697 0 CA-C-N 118.762 0.71 . . . . 10.0 111.081 171.196 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 88' ' ' LEU . . . . . . . . . . . . . 52.4 tp -55.95 -50.72 70.0 Favored 'General case' 0 CA--C 1.54 0.592 0 C-N-CA 124.472 1.109 . . . . 10.0 112.796 175.947 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 89' ' ' ILE . . . . . . . . . . . . . 62.9 mt -51.61 -51.22 27.34 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.684 0 C-N-CA 124.262 1.025 . . . . 10.0 110.632 174.143 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 94.5 mttt -58.31 -45.81 87.31 Favored 'General case' 0 N--CA 1.472 0.665 0 C-N-CA 124.212 1.005 . . . . 10.0 113.219 176.049 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 67.2 mm-40 -53.97 -50.71 65.91 Favored 'General case' 0 N--CA 1.474 0.743 0 CA-C-N 119.538 1.063 . . . . 10.0 112.046 171.686 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 92' ' ' ILE . . . . . . . . . . . . . 96.8 mt -58.65 -51.18 75.04 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.94 0 C-N-CA 124.383 1.073 . . . . 10.0 111.558 175.471 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 93' ' ' CYS . . . . . . . . . . . . . 66.5 m -57.36 -41.83 80.9 Favored 'General case' 0 CA--C 1.546 0.806 0 C-N-CA 124.505 1.122 . . . . 10.0 112.4 177.919 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 23.8 t -61.7 -45.22 94.93 Favored 'General case' 0 N--CA 1.474 0.73 0 C-N-CA 126.027 1.731 . . . . 10.0 112.747 171.318 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . -60.47 -48.32 82.26 Favored 'General case' 0 CA--C 1.543 0.688 0 C-N-CA 125.513 1.525 . . . . 10.0 113.713 -177.033 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 96' ' ' LYS . . . . . . . . . . . . . 1.5 ptpm? -61.72 139.73 58.28 Favored 'General case' 0 N--CA 1.481 1.117 0 C-N-CA 123.555 0.742 . . . . 10.0 111.701 173.79 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 97' ' ' HIS . . . . . . . . . . . . . 2.2 m-70 -138.02 167.49 21.67 Favored 'General case' 0 N--CA 1.479 1.014 0 C-N-CA 126.592 1.957 . . . . 10.0 112.04 -173.535 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 98' ' ' CYS . . . . . . . . . . . . . 33.7 m -112.04 131.49 55.39 Favored 'General case' 0 N--CA 1.469 0.511 0 C-N-CA 125.151 1.38 . . . . 10.0 111.652 174.78 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 99' ' ' ASP . . . . . . . . . . . . . 16.5 m-20 -60.32 -36.63 78.37 Favored 'General case' 0 N--CA 1.473 0.692 0 C-N-CA 124.705 1.202 . . . . 10.0 113.243 179.665 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 100' ' ' PHE . . . . . . . . . . . . . 2.0 p90 -69.79 -11.87 61.19 Favored 'General case' 0 CA--C 1.544 0.737 0 N-CA-C 115.341 1.608 . . . . 10.0 115.341 -178.907 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 101' ' ' TRP . . . . . . . . . . . . . 25.3 m0 -59.0 141.14 54.72 Favored 'General case' 0 N--CA 1.471 0.62 0 CA-C-N 119.675 1.125 . . . . 10.0 113.075 -177.819 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 102' ' ' LEU . . . . . . . . . . . . . 2.5 pt? -140.86 158.35 44.08 Favored 'General case' 0 CA--C 1.541 0.617 0 C-N-CA 127.021 2.128 . . . . 10.0 112.255 -169.755 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 8.0 tp10 -64.31 -52.94 56.03 Favored 'General case' 0 CA--C 1.544 0.73 0 C-N-CA 124.836 1.254 . . . . 10.0 112.689 -174.899 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 104' ' ' ARG . . . . . . . . . . . . . 38.2 mtm105 -138.12 -77.07 0.38 Allowed 'General case' 0 N--CA 1.478 0.931 0 C-N-CA 125.771 1.628 . . . . 10.0 112.027 -179.055 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 105' ' ' GLY . . . . . . . . . . . . . . . 179.6 -67.76 0.07 OUTLIER Glycine 0 CA--C 1.532 1.137 0 C-N-CA 125.134 1.35 . . . . 10.0 112.857 -173.322 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 106' ' ' ALA . . . . . . . . . . . . . . . -142.23 161.64 37.51 Favored 'General case' 0 CA--C 1.546 0.811 0 C-N-CA 125.618 1.567 . . . . 10.0 112.719 -177.476 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 107' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.255 1.366 0 C-N-CA 126.583 1.953 . . . . 10.0 112.044 -179.712 . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' A' A ' 1' ' ' ARG . . . . . . . . . . . . . 48.0 ptt85 . . . . . 0 N--CA 1.491 1.601 0 N-CA-C 111.769 0.285 . . . . 10.0 111.769 . . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' A' A ' 2' ' ' VAL . . . . . . . . . . . . . 87.6 t -63.44 137.39 24.76 Favored 'Isoleucine or valine' 0 N--CA 1.479 1.022 0 C-N-CA 124.802 1.241 . . . . 10.0 110.151 169.772 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -72.63 130.74 41.27 Favored 'General case' 0 CA--C 1.543 0.688 0 C-N-CA 124.106 0.962 . . . . 10.0 111.764 173.388 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 2.9 pm0 -64.55 -16.29 62.38 Favored 'General case' 0 CA--C 1.543 0.675 0 C-N-CA 126.689 1.995 . . . . 10.0 113.861 174.142 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 5' ' ' ASN . . . . . . . . . . . . . 52.8 t30 -135.66 59.76 1.71 Allowed 'General case' 0 CA--C 1.545 0.771 0 C-N-CA 126.382 1.873 . . . . 10.0 110.113 174.889 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 26.2 ptt-85 -71.26 150.55 94.36 Favored Pre-proline 0 N--CA 1.475 0.796 0 C-N-CA 127.203 2.201 . . . . 10.0 112.25 173.195 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 7' ' ' PRO . . . . . . . . . . . . . 41.2 Cg_endo -61.66 119.3 6.36 Favored 'Trans proline' 0 CA--C 1.538 0.724 0 C-N-CA 122.925 2.417 . . . . 10.0 111.104 179.198 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . 116.32 -16.29 14.96 Favored Glycine 0 CA--C 1.539 1.537 0 C-N-CA 127.156 2.312 . . . . 10.0 113.671 -169.971 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -61.13 133.53 56.1 Favored 'General case' 0 CA--C 1.546 0.798 0 CA-C-N 119.599 1.699 . . . . 10.0 113.722 -171.004 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 10' ' ' PHE . . . . . . . . . . . . . 13.3 m-30 -57.64 142.83 43.57 Favored 'General case' 0 CA--C 1.543 0.695 0 C-N-CA 125.417 1.487 . . . . 10.0 113.043 172.315 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 52.6 mt -120.79 95.39 3.53 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.576 0 C-N-CA 125.523 1.529 . . . . 10.0 107.468 169.725 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 89.0 mttt -86.89 123.67 32.27 Favored 'General case' 0 N--CA 1.473 0.702 0 C-N-CA 125.265 1.426 . . . . 10.0 109.672 177.256 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 75.5 mt-30 -120.75 -41.48 2.57 Favored 'General case' 0 N--CA 1.474 0.735 0 C-N-CA 124.569 1.147 . . . . 10.0 112.836 -171.717 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . 90.41 42.58 5.15 Favored Glycine 0 CA--C 1.533 1.175 0 C-N-CA 126.114 1.816 . . . . 10.0 111.257 -169.912 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 69.4 ttp85 -121.12 84.97 2.32 Favored 'General case' 0 N--CA 1.473 0.678 0 C-N-CA 126.564 1.946 . . . . 10.0 109.957 -171.028 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 76.0 tttt -55.23 111.62 0.9 Allowed 'General case' 0 N--CA 1.475 0.806 0 C-N-CA 126.717 2.007 . . . . 10.0 112.355 -171.548 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 79.0 mt -85.15 179.1 7.31 Favored 'General case' 0 CA--C 1.545 0.775 0 C-N-CA 126.409 1.883 . . . . 10.0 112.687 -174.741 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 19.8 t0 -129.58 92.17 3.29 Favored 'General case' 0 CA--C 1.543 0.711 0 C-N-CA 125.895 1.678 . . . . 10.0 110.71 175.657 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . 51.0 mt -134.3 138.73 49.44 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.759 0 C-N-CA 127.959 2.504 . . . . 10.0 108.452 179.677 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 26.7 t0 -86.24 112.03 20.98 Favored 'General case' 0 CA--C 1.538 0.509 0 CA-C-O 121.373 0.606 . . . . 10.0 110.185 169.465 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 21' ' ' PHE . . . . . . . . . . . . . 72.6 m-85 -98.62 -3.6 35.78 Favored 'General case' 0 CA--C 1.543 0.708 0 C-N-CA 127.998 2.519 . . . . 10.0 112.675 173.995 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 88.97 152.87 26.45 Favored Glycine 0 CA--C 1.536 1.376 0 C-N-CA 125.723 1.63 . . . . 10.0 110.043 -168.822 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -40.72 -56.62 2.11 Favored 'General case' 0 CA--C 1.547 0.855 0 N-CA-C 115.678 1.733 . . . . 10.0 115.678 -169.605 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 37.2 tt0 -61.78 -44.91 95.94 Favored 'General case' 0 CA--C 1.545 0.75 0 C-N-CA 124.675 1.19 . . . . 10.0 112.505 179.793 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -66.92 -39.17 93.29 Favored Glycine 0 CA--C 1.535 1.327 0 C-N-CA 124.748 1.166 . . . . 10.0 113.905 176.027 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 95.4 m-20 -57.79 -49.13 77.64 Favored 'General case' 0 CA--C 1.534 0.34 0 C-N-CA 125.652 1.581 . . . . 10.0 110.683 174.764 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 98.7 mtt180 -57.47 -46.13 84.03 Favored 'General case' 0 N--CA 1.475 0.811 0 C-N-CA 124.499 1.119 . . . . 10.0 111.62 174.555 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 28' ' ' TYR . . . . . . . . . . . . . 71.0 t80 -60.48 -53.46 57.25 Favored 'General case' 0 CA--C 1.537 0.444 0 C-N-CA 124.04 0.936 . . . . 10.0 112.359 178.175 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 29' ' ' TYR . . . . . . . . . . . . . 76.2 t80 -56.2 -52.11 65.61 Favored 'General case' 0 N--CA 1.468 0.439 0 C-N-CA 123.898 0.879 . . . . 10.0 112.19 175.555 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -49.68 -36.57 25.43 Favored 'General case' 0 CA--C 1.545 0.754 0 C-N-CA 124.373 1.069 . . . . 10.0 113.79 178.636 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -87.21 -28.19 22.54 Favored 'General case' 0 CA--C 1.551 1.006 0 C-N-CA 125.696 1.598 . . . . 10.0 115.166 176.738 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 32' ' ' ASN . . . . . . . . . . . . . 55.9 m-80 -122.9 8.79 9.36 Favored 'General case' 0 N--CA 1.477 0.881 0 N-CA-C 116.534 2.05 . . . . 10.0 116.534 -169.12 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 33' ' ' TYR . . . . . . . . . . . . . 52.9 p90 -46.35 -36.76 6.66 Favored 'General case' 0 N--CA 1.477 0.89 0 C-N-CA 126.466 1.907 . . . . 10.0 115.069 -176.401 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 34' ' ' TRP . . . . . . . . . . . . . 63.7 p-90 -48.6 -33.67 10.21 Favored 'General case' 0 CA--C 1.546 0.809 0 C-N-CA 126.24 1.816 . . . . 10.0 114.632 174.92 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 29.8 mt-30 -71.73 -30.29 65.46 Favored 'General case' 0 N--CA 1.472 0.653 0 C-N-CA 125.061 1.344 . . . . 10.0 114.571 177.296 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 36' ' ' PHE . . . . . . . . . . . . . 64.7 m-85 -78.47 153.31 78.86 Favored Pre-proline 0 CA--C 1.544 0.741 0 N-CA-C 115.178 1.547 . . . . 10.0 115.178 -168.808 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 84.1 Cg_endo -74.18 103.64 1.71 Allowed 'Trans proline' 0 CA--C 1.539 0.765 0 C-N-CA 123.979 3.12 . . . . 10.0 110.029 169.636 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 69.2 m-20 -70.04 -22.5 63.08 Favored 'General case' 0 CA--C 1.545 0.775 0 O-C-N 121.218 -0.926 . . . . 10.0 112.261 176.326 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . -139.08 170.69 23.97 Favored Glycine 0 CA--C 1.537 1.415 0 C-N-CA 127.208 2.337 . . . . 10.0 111.083 169.468 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 40' ' ' ILE . . . . . . . . . . . . . 91.6 mt -137.45 125.58 32.39 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.858 0 C-N-CA 124.63 1.172 . . . . 10.0 109.046 176.56 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 41' ' ' TYR . . . . . . . . . . . . . 91.2 t80 -74.16 106.62 5.91 Favored 'General case' 0 CA--C 1.534 0.362 0 C-N-CA 124.102 0.961 . . . . 10.0 109.879 171.005 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 42' ' ' TYR . . . . . . . . . . . . . 55.1 t80 -154.73 141.62 19.15 Favored 'General case' 0 N--CA 1.467 0.409 0 C-N-CA 123.791 0.836 . . . . 10.0 111.886 175.747 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 51.8 mt-10 -119.94 95.83 4.92 Favored 'General case' 0 N--CA 1.469 0.505 0 C-N-CA 125.868 1.667 . . . . 10.0 109.57 178.79 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . -83.59 -69.09 1.39 Allowed Glycine 0 CA--C 1.527 0.825 0 C-N-CA 124.625 1.107 . . . . 10.0 114.421 -169.811 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 45' ' ' CYS . . . . . . . . . . . . . 26.7 p -70.68 140.21 51.43 Favored 'General case' 0 CA--C 1.544 0.712 0 N-CA-C 113.069 0.766 . . . . 10.0 113.069 -173.058 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 62.1 m -124.82 -28.16 3.54 Favored 'General case' 0 N--CA 1.479 0.991 0 C-N-CA 125.787 1.635 . . . . 10.0 113.675 178.617 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 13.0 pt-20 -147.73 150.57 34.55 Favored 'General case' 0 N--CA 1.472 0.672 0 C-N-CA 126.035 1.734 . . . . 10.0 111.668 -177.826 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -54.01 -26.61 27.18 Favored 'General case' 0 CA--C 1.549 0.931 0 N-CA-C 115.175 1.546 . . . . 10.0 115.175 -175.314 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 77.2 m-20 -65.25 -29.29 70.07 Favored 'General case' 0 CA--C 1.546 0.799 0 C-N-CA 125.401 1.48 . . . . 10.0 113.836 176.997 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . 5.0 p -62.89 136.1 26.41 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.892 0 C-N-CA 124.084 0.954 . . . . 10.0 111.857 -176.962 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 73.5 p -101.49 167.89 9.86 Favored 'General case' 0 N--CA 1.474 0.747 0 C-N-CA 124.46 1.104 . . . . 10.0 111.794 -173.838 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 87.3 tttt -59.33 -47.98 83.36 Favored 'General case' 0 N--CA 1.469 0.515 0 C-N-CA 123.197 0.599 . . . . 10.0 110.684 169.837 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 2.4 mp0 -48.34 -51.58 25.5 Favored 'General case' 0 CA--C 1.54 0.591 0 C-N-CA 124.828 1.251 . . . . 10.0 112.273 173.732 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 54' ' ' MET . . . . . . . . . . . . . 31.3 mtm -56.77 -56.61 19.31 Favored 'General case' 0 N--CA 1.469 0.497 0 C-N-CA 123.818 0.847 . . . . 10.0 112.606 171.64 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 9.7 tt -55.42 -53.73 52.63 Favored 'General case' 0 N--CA 1.471 0.58 0 C-N-CA 124.689 1.196 . . . . 10.0 112.979 -177.192 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 60.7 t -60.4 -48.97 86.14 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.812 0 C-N-CA 125.444 1.498 . . . . 10.0 111.208 -177.364 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 57' ' ' THR . . . . . . . . . . . . . 48.0 m -59.69 -49.04 79.31 Favored 'General case' 0 N--CA 1.476 0.863 0 C-N-CA 124.047 0.939 . . . . 10.0 111.542 175.86 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 38.8 m -60.38 -39.73 88.31 Favored 'General case' 0 N--CA 1.472 0.626 0 C-N-CA 124.165 0.986 . . . . 10.0 112.349 177.519 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 59' ' ' CYS . . . . . . . . . . . . . 39.7 t -58.19 -49.58 76.56 Favored 'General case' 0 CA--C 1.537 0.446 0 C-N-CA 125.557 1.543 . . . . 10.0 112.877 173.329 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 60' ' ' VAL . . . . . . . . . . . . . 54.5 t -55.36 -49.96 68.9 Favored 'Isoleucine or valine' 0 N--CA 1.479 0.977 0 CA-C-N 119.076 0.853 . . . . 10.0 111.267 172.051 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 61' ' ' ASN . . . . . . . . . . . . . 16.4 m-80 -57.83 -45.21 86.51 Favored 'General case' 0 CA--C 1.545 0.762 0 C-N-CA 124.528 1.131 . . . . 10.0 113.189 176.551 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -62.09 -48.09 81.74 Favored 'General case' 0 CA--C 1.536 0.44 0 C-N-CA 124.064 0.945 . . . . 10.0 111.366 175.396 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 63' ' ' THR . . . . . . . . . . . . . 30.8 m -54.71 -49.64 70.23 Favored 'General case' 0 N--CA 1.471 0.589 0 C-N-CA 124.98 1.312 . . . . 10.0 111.58 176.316 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 64' ' ' GLN . . . . . . . . . . . . . 81.8 mt-30 -48.8 -60.0 3.1 Favored 'General case' 0 N--CA 1.471 0.585 0 C-N-CA 125.531 1.532 . . . . 10.0 112.133 172.17 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -56.82 -43.0 80.6 Favored 'General case' 0 CA--C 1.545 0.765 0 C-N-CA 125.317 1.447 . . . . 10.0 113.577 179.681 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -69.06 -39.83 78.9 Favored 'General case' 0 CA--C 1.543 0.701 0 C-N-CA 124.969 1.308 . . . . 10.0 114.433 -178.832 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 67' ' ' ASN . . . . . . . . . . . . . 8.3 m-80 -118.12 39.69 3.34 Favored 'General case' 0 N--CA 1.475 0.794 0 C-N-CA 124.162 0.985 . . . . 10.0 112.71 -169.72 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 68' ' ' GLN . . . . . . . . . . . . . 64.1 mt-30 -52.44 -44.86 65.72 Favored 'General case' 0 N--CA 1.475 0.781 0 C-N-CA 125.61 1.564 . . . . 10.0 112.861 179.427 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -54.28 -49.33 69.84 Favored 'General case' 0 CA--C 1.542 0.659 0 C-N-CA 124.944 1.298 . . . . 10.0 112.636 175.609 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 11.1 mm-40 -59.79 -48.34 82.08 Favored 'General case' 0 N--CA 1.47 0.573 0 C-N-CA 124.192 0.997 . . . . 10.0 111.973 178.1 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 71' ' ' PHE . . . . . . . . . . . . . 25.7 m-85 -65.48 -24.13 67.08 Favored 'General case' 0 N--CA 1.472 0.658 0 N-CA-C 113.919 1.081 . . . . 10.0 113.919 176.541 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 21.7 t -71.33 -56.71 5.44 Favored 'General case' 0 N--CA 1.47 0.542 0 C-N-CA 124.234 1.013 . . . . 10.0 110.575 169.384 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 73' ' ' ARG . . . . . . . . . . . . . 91.4 mtt180 -55.52 -61.39 2.38 Favored 'General case' 0 N--CA 1.476 0.858 0 C-N-CA 127.351 2.261 . . . . 10.0 113.294 179.628 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 77.3 mm-40 -87.13 52.11 2.42 Favored 'General case' 0 N--CA 1.468 0.452 0 C-N-CA 126.454 1.902 . . . . 10.0 112.84 -169.34 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 4.8 ttpm? -147.32 -53.19 0.21 Allowed 'General case' 0 N--CA 1.472 0.646 0 C-N-CA 125.104 1.362 . . . . 10.0 113.225 -176.994 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 76' ' ' GLN . . . . . . . . . . . . . 13.8 mm100 -57.02 -61.94 2.09 Favored 'General case' 0 N--CA 1.472 0.659 0 C-N-CA 124.613 1.165 . . . . 10.0 111.911 -172.085 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 31.4 t70 -82.79 -51.61 7.5 Favored 'General case' 0 CA--C 1.542 0.635 0 C-N-CA 124.363 1.065 . . . . 10.0 110.995 169.85 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 16.6 m -75.72 55.55 0.87 Allowed 'General case' 0 CA--C 1.544 0.729 0 C-N-CA 126.648 1.979 . . . . 10.0 113.322 -177.035 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 64.3 mttp -54.2 -50.99 65.81 Favored 'General case' 0 N--CA 1.479 0.982 0 C-N-CA 125.853 1.661 . . . . 10.0 113.036 -176.833 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 50.3 tp -57.45 -35.16 69.76 Favored 'General case' 0 N--CA 1.472 0.647 0 C-N-CA 125.295 1.438 . . . . 10.0 113.122 177.613 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 81' ' ' HIS . . . . . . . . . . . . . 6.9 t-160 -53.25 -46.16 69.09 Favored 'General case' 0 N--CA 1.469 0.52 0 C-N-CA 124.004 0.922 . . . . 10.0 111.82 -178.368 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 82' ' ' GLN . . . . . . . . . . . . . 85.0 mm-40 -48.06 -55.63 9.71 Favored 'General case' 0 N--CA 1.474 0.775 0 C-N-CA 124.431 1.092 . . . . 10.0 113.227 177.742 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 83' ' ' ARG . . . . . . . . . . . . . 48.3 ttt85 -46.95 -60.07 2.68 Favored 'General case' 0 N--CA 1.481 1.096 0 C-N-CA 124.839 1.256 . . . . 10.0 111.502 177.761 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 84' ' ' VAL . . . . . . . . . . . . . 12.7 t -60.91 -50.47 80.4 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.505 0 C-N-CA 125.941 1.696 . . . . 10.0 110.687 -176.823 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 85' ' ' LEU . . . . . . . . . . . . . 29.9 tp -57.12 -50.39 72.95 Favored 'General case' 0 CA--C 1.539 0.522 0 C-N-CA 126.194 1.798 . . . . 10.0 112.363 178.935 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 86' ' ' TRP . . . . . . . . . . . . . 66.8 m95 -62.17 -44.77 95.86 Favored 'General case' 0 N--CA 1.469 0.496 0 N-CA-C 113.696 0.998 . . . . 10.0 113.696 175.734 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 87' ' ' ARG . . . . . . . . . . . . . 25.5 tpt180 -54.6 -49.32 70.74 Favored 'General case' 0 N--CA 1.474 0.728 0 C-N-CA 123.426 0.69 . . . . 10.0 111.015 172.788 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 88' ' ' LEU . . . . . . . . . . . . . 57.4 tp -57.42 -54.0 51.74 Favored 'General case' 0 CA--C 1.54 0.593 0 C-N-CA 124.19 0.996 . . . . 10.0 112.831 174.091 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 89' ' ' ILE . . . . . . . . . . . . . 68.3 mt -51.04 -52.69 17.05 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.825 0 C-N-CA 124.333 1.053 . . . . 10.0 110.758 176.749 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 95.9 mttt -59.72 -45.14 93.07 Favored 'General case' 0 N--CA 1.47 0.536 0 C-N-CA 124.538 1.135 . . . . 10.0 112.968 178.105 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 22.3 mm-40 -56.1 -49.01 75.06 Favored 'General case' 0 CA--C 1.541 0.601 0 CA-C-N 119.316 0.962 . . . . 10.0 112.376 171.417 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 92' ' ' ILE . . . . . . . . . . . . . 90.5 mt -57.07 -52.36 57.12 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.955 0 C-N-CA 124.537 1.135 . . . . 10.0 111.449 174.434 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 93' ' ' CYS . . . . . . . . . . . . . 83.0 m -55.94 -46.44 78.52 Favored 'General case' 0 CA--C 1.543 0.693 0 C-N-CA 124.293 1.037 . . . . 10.0 112.065 177.479 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 56.1 m -60.03 -44.73 94.43 Favored 'General case' 0 N--CA 1.476 0.841 0 C-N-CA 125.699 1.6 . . . . 10.0 112.99 174.054 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . -64.28 -50.89 66.1 Favored 'General case' 0 CA--C 1.54 0.565 0 C-N-CA 125.488 1.515 . . . . 10.0 113.032 -178.416 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 96' ' ' LYS . . . . . . . . . . . . . 7.5 ptmm? -67.52 92.28 0.31 Allowed 'General case' 0 N--CA 1.476 0.874 0 C-N-CA 124.343 1.057 . . . . 10.0 112.935 -173.107 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 97' ' ' HIS . . . . . . . . . . . . . 6.4 m80 -73.17 153.5 40.68 Favored 'General case' 0 N--CA 1.476 0.831 0 C-N-CA 124.893 1.277 . . . . 10.0 112.343 179.898 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 98' ' ' CYS . . . . . . . . . . . . . 38.4 t -70.11 147.29 50.13 Favored 'General case' 0 CA--C 1.544 0.74 0 C-N-CA 123.335 0.654 . . . . 10.0 111.243 169.376 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 99' ' ' ASP . . . . . . . . . . . . . 31.7 t70 -65.22 -43.62 90.89 Favored 'General case' 0 CA--C 1.545 0.768 0 C-N-CA 124.584 1.154 . . . . 10.0 113.533 176.36 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 100' ' ' PHE . . . . . . . . . . . . . 9.1 p90 -101.35 8.14 42.43 Favored 'General case' 0 CA--C 1.546 0.798 0 N-CA-C 115.884 1.809 . . . . 10.0 115.884 -169.572 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 101' ' ' TRP . . . . . . . . . . . . . 7.9 m0 -56.49 126.07 24.89 Favored 'General case' 0 N--CA 1.475 0.817 0 CA-C-N 120.004 1.275 . . . . 10.0 112.767 177.79 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 102' ' ' LEU . . . . . . . . . . . . . 75.9 mt -74.51 157.37 35.64 Favored 'General case' 0 CA--C 1.541 0.634 0 C-N-CA 126.064 1.746 . . . . 10.0 111.713 179.024 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 13.0 pt-20 -60.58 -37.76 82.37 Favored 'General case' 0 N--CA 1.476 0.831 0 C-N-CA 124.029 0.932 . . . . 10.0 113.247 176.252 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 104' ' ' ARG . . . . . . . . . . . . . 99.9 mtt180 -141.3 149.54 41.37 Favored 'General case' 0 N--CA 1.476 0.84 0 C-N-CA 127.776 2.43 . . . . 10.0 110.263 175.071 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 105' ' ' GLY . . . . . . . . . . . . . . . -178.96 -177.15 47.35 Favored Glycine 0 CA--C 1.535 1.321 0 C-N-CA 124.323 0.963 . . . . 10.0 113.944 -178.835 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 106' ' ' ALA . . . . . . . . . . . . . . . -145.87 176.85 9.37 Favored 'General case' 0 CA--C 1.548 0.882 0 C-N-CA 126.232 1.813 . . . . 10.0 112.024 -179.47 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 107' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.255 1.353 0 C-N-CA 126.593 1.957 . . . . 10.0 111.95 179.592 . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' A' A ' 1' ' ' ARG . . . . . . . . . . . . . 14.2 ptm180 . . . . . 0 N--CA 1.491 1.582 0 N-CA-C 111.301 0.112 . . . . 10.0 111.301 . . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' A' A ' 2' ' ' VAL . . . . . . . . . . . . . 11.9 p -62.23 -49.33 84.43 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.114 0 C-N-CA 125.004 1.322 . . . . 10.0 113.207 -177.037 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -152.42 155.21 37.12 Favored 'General case' 0 CA--C 1.538 0.498 0 C-N-CA 125.647 1.579 . . . . 10.0 111.518 -177.047 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 1.1 pm0 -68.19 -19.55 64.78 Favored 'General case' 0 CA--C 1.542 0.642 0 C-N-CA 125.025 1.33 . . . . 10.0 113.683 172.467 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 5' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER -139.06 59.77 1.61 Allowed 'General case' 0 CA--C 1.547 0.846 0 C-N-CA 125.816 1.647 . . . . 10.0 110.684 -179.868 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 7.4 ptm180 -74.1 161.87 76.48 Favored Pre-proline 0 N--CA 1.478 0.944 0 C-N-CA 125.005 1.322 . . . . 10.0 112.122 170.263 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 7' ' ' PRO . . . . . . . . . . . . . 80.8 Cg_exo -46.91 122.4 6.09 Favored 'Trans proline' 0 CA--C 1.537 0.655 0 C-N-CA 123.483 2.788 . . . . 10.0 112.483 169.97 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . 116.4 -21.13 11.96 Favored Glycine 0 CA--C 1.539 1.538 0 C-N-CA 127.558 2.504 . . . . 10.0 113.476 -169.672 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -59.31 135.03 57.52 Favored 'General case' 0 CA--C 1.545 0.785 0 CA-C-N 119.183 1.492 . . . . 10.0 114.149 -170.292 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 10' ' ' PHE . . . . . . . . . . . . . 15.4 m-30 -58.54 143.09 47.08 Favored 'General case' 0 CA--C 1.542 0.637 0 C-N-CA 125.834 1.654 . . . . 10.0 113.261 173.893 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 35.8 mt -126.26 93.28 2.25 Favored 'Isoleucine or valine' 0 CA--C 1.537 0.453 0 C-N-CA 125.183 1.393 . . . . 10.0 107.247 169.548 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 92.7 mttt -86.92 116.89 25.29 Favored 'General case' 0 N--CA 1.472 0.654 0 C-N-CA 125.942 1.697 . . . . 10.0 109.636 175.134 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 13' ' ' GLN . . . . . 0.425 ' NE2' HH21 ' A' ' 15' ' ' ARG . 34.5 mt-30 -120.2 -45.83 2.43 Favored 'General case' 0 N--CA 1.47 0.55 0 C-N-CA 126.022 1.729 . . . . 10.0 110.648 -175.805 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . 119.1 84.35 0.91 Allowed Glycine 0 N--CA 1.469 0.857 0 C-N-CA 125.827 1.68 . . . . 10.0 110.875 175.982 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 15' ' ' ARG . . . . . 0.425 HH21 ' NE2' ' A' ' 13' ' ' GLN . 48.6 ttm-85 -143.08 143.99 32.07 Favored 'General case' 0 N--CA 1.473 0.701 0 C-N-CA 125.496 1.518 . . . . 10.0 111.828 -169.605 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 75.3 tttt -117.58 96.87 5.59 Favored 'General case' 0 N--CA 1.472 0.643 0 C-N-CA 125.839 1.655 . . . . 10.0 110.58 -179.948 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 77.3 mt -78.78 -179.92 6.82 Favored 'General case' 0 CA--C 1.545 0.754 0 C-N-CA 126.411 1.884 . . . . 10.0 112.54 -177.848 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 20.1 t0 -128.12 101.73 6.4 Favored 'General case' 0 CA--C 1.542 0.635 0 C-N-CA 125.86 1.664 . . . . 10.0 110.33 172.729 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . 76.8 mt -135.69 131.76 50.81 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.726 0 C-N-CA 127.226 2.21 . . . . 10.0 107.93 -179.796 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 24.2 t0 -85.3 88.44 7.49 Favored 'General case' 0 CA--C 1.542 0.636 0 CA-C-O 122.163 0.982 . . . . 10.0 110.587 169.91 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 21' ' ' PHE . . . . . . . . . . . . . 84.1 m-85 -66.81 -39.44 87.72 Favored 'General case' 0 CA--C 1.54 0.582 0 C-N-CA 126.349 1.859 . . . . 10.0 111.705 169.944 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 128.03 154.99 8.56 Favored Glycine 0 CA--C 1.534 1.224 0 C-N-CA 128.143 2.782 . . . . 10.0 109.589 -169.639 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -39.87 -57.31 1.61 Allowed 'General case' 0 CA--C 1.547 0.862 0 N-CA-C 115.641 1.719 . . . . 10.0 115.641 -169.604 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 36.2 tt0 -63.69 -45.22 91.02 Favored 'General case' 0 CA--C 1.544 0.739 0 C-N-CA 124.61 1.164 . . . . 10.0 112.767 179.592 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -66.67 -38.54 93.28 Favored Glycine 0 CA--C 1.535 1.294 0 C-N-CA 124.988 1.28 . . . . 10.0 114.122 177.183 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 86.8 m-20 -57.71 -49.88 75.05 Favored 'General case' 0 CA--C 1.536 0.435 0 C-N-CA 126.007 1.723 . . . . 10.0 110.364 173.764 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 99.1 mtt180 -59.29 -45.88 90.05 Favored 'General case' 0 N--CA 1.475 0.776 0 C-N-CA 124.792 1.237 . . . . 10.0 111.492 176.002 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 28' ' ' TYR . . . . . 0.404 ' HH ' ' CG ' ' A' ' 81' ' ' HIS . 79.2 t80 -58.39 -56.25 24.47 Favored 'General case' 0 CA--C 1.536 0.417 0 C-N-CA 124.256 1.022 . . . . 10.0 112.186 176.469 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 29' ' ' TYR . . . . . . . . . . . . . 76.2 t80 -56.14 -50.34 71.38 Favored 'General case' 0 N--CA 1.468 0.451 0 C-N-CA 123.877 0.871 . . . . 10.0 112.193 177.858 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -51.41 -29.58 16.33 Favored 'General case' 0 CA--C 1.546 0.81 0 N-CA-C 114.241 1.2 . . . . 10.0 114.241 177.675 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -95.99 -24.8 16.2 Favored 'General case' 0 CA--C 1.551 1.017 0 C-N-CA 126.05 1.74 . . . . 10.0 114.884 176.987 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 32' ' ' ASN . . . . . . . . . . . . . 55.8 m-80 -124.43 7.23 8.34 Favored 'General case' 0 CA--C 1.546 0.825 0 N-CA-C 116.065 1.876 . . . . 10.0 116.065 -169.323 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 33' ' ' TYR . . . . . . . . . . . . . 51.5 p90 -43.36 -39.0 2.95 Favored 'General case' 0 N--CA 1.476 0.839 0 C-N-CA 127.511 2.324 . . . . 10.0 114.927 -179.731 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 34' ' ' TRP . . . . . . . . . . . . . 64.2 p-90 -49.9 -33.5 17.46 Favored 'General case' 0 CA--C 1.546 0.794 0 C-N-CA 126.555 1.942 . . . . 10.0 114.663 176.527 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 31.3 mt-30 -70.01 -34.69 73.63 Favored 'General case' 0 N--CA 1.473 0.678 0 C-N-CA 124.73 1.212 . . . . 10.0 114.082 177.476 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 36' ' ' PHE . . . . . . . . . . . . . 44.3 m-85 -70.4 147.82 95.22 Favored Pre-proline 0 CA--C 1.545 0.776 0 C-N-CA 125.197 1.399 . . . . 10.0 113.695 -169.276 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 96.8 Cg_endo -74.52 97.31 1.03 Allowed 'Trans proline' 0 C--N 1.348 0.546 0 C-N-CA 123.95 3.1 . . . . 10.0 110.096 170.432 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 4.5 p-10 -71.23 -17.85 62.48 Favored 'General case' 0 CA--C 1.545 0.756 0 O-C-N 121.108 -0.995 . . . . 10.0 113.347 -179.297 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . -126.71 159.52 20.95 Favored Glycine 0 CA--C 1.536 1.388 0 C-N-CA 126.288 1.899 . . . . 10.0 110.385 168.728 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 40' ' ' ILE . . . . . . . . . . . . . 81.5 mt -137.75 124.57 28.29 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.841 0 C-N-CA 124.529 1.132 . . . . 10.0 109.224 175.371 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 41' ' ' TYR . . . . . . . . . . . . . 54.0 t80 -73.47 94.78 2.14 Favored 'General case' 0 CA--C 1.535 0.365 0 C-N-CA 124.687 1.195 . . . . 10.0 110.277 172.102 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 42' ' ' TYR . . . . . . . . . . . . . 91.2 t80 -154.38 139.31 17.24 Favored 'General case' 0 N--CA 1.467 0.412 0 C-N-CA 124.538 1.135 . . . . 10.0 110.589 174.142 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 44.1 mt-10 -134.28 85.3 2.18 Favored 'General case' 0 CA--C 1.54 0.574 0 C-N-CA 125.789 1.636 . . . . 10.0 110.008 -176.665 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . -80.8 -25.71 55.48 Favored Glycine 0 CA--C 1.534 1.241 0 C-N-CA 124.755 1.169 . . . . 10.0 115.159 -173.378 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 45' ' ' CYS . . . . . . . . . . . . . 69.0 m -61.7 119.31 8.46 Favored 'General case' 0 CA--C 1.543 0.685 0 C-N-CA 125.945 1.698 . . . . 10.0 112.42 -177.461 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 56.6 p -142.23 -77.74 0.26 Allowed 'General case' 0 N--CA 1.471 0.605 0 C-N-CA 125.406 1.482 . . . . 10.0 111.784 -178.902 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 31.4 mm-40 -93.96 145.37 24.69 Favored 'General case' 0 N--CA 1.469 0.494 0 C-N-CA 126.147 1.779 . . . . 10.0 112.212 -176.287 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -55.48 -31.16 61.76 Favored 'General case' 0 CA--C 1.547 0.847 0 C-N-CA 124.818 1.247 . . . . 10.0 113.342 172.729 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 32.1 m120 -68.47 -23.48 64.59 Favored 'General case' 0 CA--C 1.545 0.77 0 C-N-CA 126.355 1.862 . . . . 10.0 114.084 176.56 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . 0.3 OUTLIER -63.93 154.52 6.56 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.957 0 C-N-CA 123.77 0.828 . . . . 10.0 111.192 178.532 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 27.0 p -130.43 172.34 11.98 Favored 'General case' 0 N--CA 1.479 0.98 0 C-N-CA 125.051 1.34 . . . . 10.0 111.705 -177.188 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 37.5 ttpt -60.78 -50.76 72.14 Favored 'General case' 0 N--CA 1.471 0.609 0 O-C-N 121.763 -0.586 . . . . 10.0 111.816 171.432 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 47.4 mt-10 -51.56 -47.01 63.62 Favored 'General case' 0 N--CA 1.474 0.734 0 C-N-CA 123.488 0.715 . . . . 10.0 112.199 176.997 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 54' ' ' MET . . . . . . . . . . . . . 99.2 mtp -58.11 -57.82 11.17 Favored 'General case' 0 CA--C 1.539 0.52 0 C-N-CA 124.024 0.929 . . . . 10.0 112.292 171.15 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 10.0 tt -57.26 -51.94 67.33 Favored 'General case' 0 N--CA 1.467 0.413 0 C-N-CA 124.242 1.017 . . . . 10.0 112.642 -176.279 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 40.7 t -60.91 -47.3 94.04 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.739 0 C-N-CA 124.732 1.213 . . . . 10.0 111.11 -177.31 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 57' ' ' THR . . . . . . . . . . . . . 58.5 m -57.78 -51.34 69.97 Favored 'General case' 0 N--CA 1.476 0.871 0 C-N-CA 123.998 0.919 . . . . 10.0 111.612 173.629 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 7.0 t -59.92 -42.26 93.52 Favored 'General case' 0 N--CA 1.471 0.575 0 C-N-CA 124.268 1.027 . . . . 10.0 112.566 177.967 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 59' ' ' CYS . . . . . . . . . . . . . 40.9 t -57.84 -50.1 74.44 Favored 'General case' 0 CA--C 1.536 0.405 0 C-N-CA 126.376 1.87 . . . . 10.0 112.667 173.209 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 60' ' ' VAL . . . . . . . . . . . . . 40.3 t -54.83 -48.81 73.37 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.933 0 C-N-CA 124.272 1.029 . . . . 10.0 111.363 172.442 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 61' ' ' ASN . . . . . . . . . . . . . 18.0 m-80 -59.11 -45.66 90.31 Favored 'General case' 0 CA--C 1.546 0.807 0 C-N-CA 124.658 1.183 . . . . 10.0 113.254 174.808 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -60.69 -45.69 93.23 Favored 'General case' 0 CA--C 1.538 0.482 0 C-N-CA 124.473 1.109 . . . . 10.0 111.332 174.908 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 63' ' ' THR . . . . . . . . . . . . . 36.8 m -56.3 -48.14 77.26 Favored 'General case' 0 N--CA 1.471 0.576 0 C-N-CA 125.561 1.544 . . . . 10.0 111.653 175.928 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 64' ' ' GLN . . . . . . . . . . . . . 70.8 mt-30 -50.51 -59.89 3.56 Favored 'General case' 0 N--CA 1.47 0.565 0 C-N-CA 124.096 0.958 . . . . 10.0 111.687 170.71 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -56.45 -41.66 76.86 Favored 'General case' 0 CA--C 1.545 0.776 0 C-N-CA 125.85 1.66 . . . . 10.0 114.044 -178.615 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -69.44 -37.7 77.49 Favored 'General case' 0 CA--C 1.541 0.625 0 C-N-CA 125.141 1.377 . . . . 10.0 114.262 178.969 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 67' ' ' ASN . . . . . . . . . . . . . 7.2 m-80 -122.39 39.78 3.83 Favored 'General case' 0 CA--C 1.546 0.794 0 C-N-CA 124.28 1.032 . . . . 10.0 112.639 -169.769 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 68' ' ' GLN . . . . . . . . . . . . . 88.0 mt-30 -52.81 -47.99 67.25 Favored 'General case' 0 N--CA 1.475 0.782 0 C-N-CA 125.29 1.436 . . . . 10.0 113.105 -176.34 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -55.47 -50.27 70.32 Favored 'General case' 0 CA--C 1.542 0.664 0 C-N-CA 125.066 1.346 . . . . 10.0 112.852 179.354 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 12.3 mm-40 -52.96 -53.88 43.29 Favored 'General case' 0 N--CA 1.472 0.668 0 C-N-CA 125.094 1.358 . . . . 10.0 111.621 178.788 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 71' ' ' PHE . . . . . . . . . . . . . 40.4 m-85 -59.36 -57.16 14.22 Favored 'General case' 0 CA--C 1.535 0.402 0 C-N-CA 123.603 0.761 . . . . 10.0 111.903 175.377 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 62.7 m -53.5 -48.25 69.14 Favored 'General case' 0 N--CA 1.474 0.764 0 C-N-CA 125.493 1.517 . . . . 10.0 113.349 -175.118 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 73' ' ' ARG . . . . . . . . . . . . . 99.0 mtt180 -57.57 -56.63 19.45 Favored 'General case' 0 N--CA 1.475 0.791 0 C-N-CA 125.349 1.46 . . . . 10.0 111.996 177.386 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 30.2 mt-10 -69.1 -46.39 67.84 Favored 'General case' 0 CA--C 1.538 0.498 0 N-CA-C 113.698 0.999 . . . . 10.0 113.698 -174.76 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 21.7 ttmm -43.72 -35.46 1.85 Allowed 'General case' 0 N--CA 1.484 1.238 0 C-N-CA 127.782 2.433 . . . . 10.0 114.839 -177.315 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 76' ' ' GLN . . . . . . . . . . . . . 17.6 mm100 -51.29 -35.63 38.52 Favored 'General case' 0 CA--C 1.544 0.712 0 C-N-CA 126.015 1.726 . . . . 10.0 114.04 175.45 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 32.6 t70 -133.17 -39.92 0.92 Allowed 'General case' 0 N--CA 1.474 0.757 0 C-N-CA 125.755 1.622 . . . . 10.0 113.411 -172.895 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -80.31 53.84 1.87 Allowed 'General case' 0 CA--C 1.544 0.731 0 C-N-CA 126.951 2.1 . . . . 10.0 112.833 -175.015 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 5.3 mptp? -55.0 -48.7 72.99 Favored 'General case' 0 N--CA 1.479 0.997 0 C-N-CA 125.741 1.616 . . . . 10.0 112.673 -175.287 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 50.1 tp -58.04 -50.41 73.52 Favored 'General case' 0 N--CA 1.47 0.545 0 C-N-CA 124.761 1.225 . . . . 10.0 111.962 173.935 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 81' ' ' HIS . . . . . 0.404 ' CG ' ' HH ' ' A' ' 28' ' ' TYR . 17.8 t-160 -50.44 -47.94 56.57 Favored 'General case' 0 N--CA 1.473 0.686 0 CA-C-O 118.296 -0.859 . . . . 10.0 111.791 -178.868 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 82' ' ' GLN . . . . . . . . . . . . . 83.9 mm-40 -45.94 -55.62 6.54 Favored 'General case' 0 N--CA 1.474 0.761 0 C-N-CA 124.566 1.146 . . . . 10.0 112.619 177.967 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 83' ' ' ARG . . . . . . . . . . . . . 10.9 mpt_? -57.68 -53.93 52.58 Favored 'General case' 0 N--CA 1.479 1.023 0 C-N-CA 124.673 1.189 . . . . 10.0 111.792 -178.206 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 84' ' ' VAL . . . . . . . . . . . . . 20.0 t -56.93 -51.71 64.91 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.775 0 C-N-CA 125.561 1.544 . . . . 10.0 110.597 177.938 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 85' ' ' LEU . . . . . . . . . . . . . 41.4 tp -55.19 -48.93 73.11 Favored 'General case' 0 CA--C 1.536 0.426 0 C-N-CA 126.529 1.932 . . . . 10.0 112.753 177.078 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 86' ' ' TRP . . . . . . . . . . . . . 55.5 m95 -61.31 -44.31 97.42 Favored 'General case' 0 N--CA 1.47 0.54 0 N-CA-C 113.821 1.045 . . . . 10.0 113.821 175.464 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 87' ' ' ARG . . . . . . . . . . . . . 44.6 tpt85 -57.76 -45.44 85.92 Favored 'General case' 0 N--CA 1.476 0.845 0 C-N-CA 123.71 0.804 . . . . 10.0 112.292 173.764 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 88' ' ' LEU . . . . . . . . . . . . . 2.1 tm? -59.93 -52.59 64.75 Favored 'General case' 0 CA--C 1.542 0.657 0 C-N-CA 126.929 2.092 . . . . 10.0 111.93 173.204 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 89' ' ' ILE . . . . . . . . . . . . . 65.3 mt -51.71 -51.29 27.91 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.78 0 C-N-CA 124.322 1.049 . . . . 10.0 110.453 173.971 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 39.6 ttmt -57.5 -43.57 84.31 Favored 'General case' 0 N--CA 1.471 0.601 0 C-N-CA 124.506 1.122 . . . . 10.0 113.108 176.588 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 27.2 tp10 -53.14 -52.33 59.08 Favored 'General case' 0 N--CA 1.472 0.635 0 CA-C-N 119.222 0.919 . . . . 10.0 111.949 172.643 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 92' ' ' ILE . . . . . . . . . . . . . 97.4 mt -59.7 -50.26 80.68 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.752 0 C-N-CA 124.649 1.18 . . . . 10.0 111.303 176.18 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 93' ' ' CYS . . . . . . . . . . . . . 60.8 m -54.88 -45.17 74.61 Favored 'General case' 0 CA--C 1.546 0.808 0 C-N-CA 124.766 1.226 . . . . 10.0 112.464 176.654 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 13.5 t -58.91 -46.2 88.47 Favored 'General case' 0 N--CA 1.476 0.846 0 C-N-CA 125.073 1.349 . . . . 10.0 112.856 171.458 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . -58.07 -41.98 84.55 Favored 'General case' 0 CA--C 1.547 0.85 0 C-N-CA 125.084 1.354 . . . . 10.0 114.3 -176.868 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 96' ' ' LYS . . . . . . . . . . . . . 1.3 ptpm? -73.89 55.0 0.53 Allowed 'General case' 0 N--CA 1.486 1.332 0 C-N-CA 125.663 1.585 . . . . 10.0 113.925 179.171 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 97' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -65.33 149.37 50.1 Favored 'General case' 0 N--CA 1.474 0.763 0 C-N-CA 127.562 2.345 . . . . 10.0 114.251 179.204 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 98' ' ' CYS . . . . . . . . . . . . . 15.6 m -88.17 129.26 35.38 Favored 'General case' 0 CA--C 1.54 0.595 0 C-N-CA 123.942 0.897 . . . . 10.0 111.325 172.425 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 99' ' ' ASP . . . . . . . . . . . . . 6.6 p-10 -64.58 -32.58 74.3 Favored 'General case' 0 CA--C 1.545 0.755 0 C-N-CA 124.421 1.088 . . . . 10.0 113.816 179.698 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 100' ' ' PHE . . . . . . . . . . . . . 14.6 p90 -78.52 -5.79 53.66 Favored 'General case' 0 CA--C 1.543 0.706 0 N-CA-C 115.376 1.621 . . . . 10.0 115.376 -176.041 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 101' ' ' TRP . . . . . . . . . . . . . 17.0 m0 -53.06 121.53 7.61 Favored 'General case' 0 N--CA 1.474 0.732 0 CA-C-N 119.809 1.186 . . . . 10.0 113.303 -175.972 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 102' ' ' LEU . . . . . . . . . . . . . 83.4 mt -74.84 165.22 25.59 Favored 'General case' 0 CA--C 1.543 0.696 0 C-N-CA 126.44 1.896 . . . . 10.0 112.479 -175.716 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 46.6 mt-10 -67.67 105.66 1.97 Allowed 'General case' 0 CA--C 1.544 0.738 0 C-N-CA 124.197 0.999 . . . . 10.0 110.945 173.294 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 104' ' ' ARG . . . . . . . . . . . . . 83.6 mtp180 -71.65 156.12 39.74 Favored 'General case' 0 N--CA 1.476 0.829 0 C-N-CA 125.297 1.439 . . . . 10.0 112.678 -178.767 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 105' ' ' GLY . . . . . . . . . . . . . . . -165.09 156.64 28.74 Favored Glycine 0 CA--C 1.535 1.285 0 C-N-CA 125.684 1.611 . . . . 10.0 112.613 176.784 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 106' ' ' ALA . . . . . . . . . . . . . . . -147.98 167.47 24.8 Favored 'General case' 0 CA--C 1.546 0.81 0 C-N-CA 125.649 1.579 . . . . 10.0 112.283 -178.33 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 107' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.254 1.315 0 C-N-CA 126.678 1.991 . . . . 10.0 111.921 178.451 . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 5' ' ' ASN . . . . . . . . . . . . . 1.3 t30 . . . . . 0 CA--C 1.55 0.978 0 CA-C-O 122.059 0.933 . . . . 10.0 109.989 . . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 22.7 ptt-85 -92.87 151.6 40.9 Favored Pre-proline 0 N--CA 1.478 0.961 0 C-N-CA 127.552 2.341 . . . . 10.0 111.382 178.965 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 7' ' ' PRO . . . . . . . . . . . . . 31.6 Cg_endo -59.0 117.94 4.75 Favored 'Trans proline' 0 CA--C 1.538 0.717 0 C-N-CA 122.89 2.393 . . . . 10.0 111.234 -177.553 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . 115.95 -17.02 15.51 Favored Glycine 0 CA--C 1.54 1.65 0 C-N-CA 127.507 2.479 . . . . 10.0 113.899 -169.802 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -61.11 134.1 56.7 Favored 'General case' 0 CA--C 1.545 0.759 0 CA-C-N 119.799 1.799 . . . . 10.0 113.268 -172.09 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 10' ' ' PHE . . . . . . . . . . . . . 20.6 m-30 -60.15 148.2 36.98 Favored 'General case' 0 CA--C 1.541 0.634 0 C-N-CA 124.314 1.046 . . . . 10.0 113.406 174.592 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 67.4 mt -122.38 96.97 4.42 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.506 0 C-N-CA 125.97 1.708 . . . . 10.0 107.061 169.664 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 84.0 mttt -92.07 89.35 6.91 Favored 'General case' 0 N--CA 1.474 0.746 0 C-N-CA 125.111 1.364 . . . . 10.0 110.554 -177.652 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 26.4 mt-30 -79.19 -24.61 43.05 Favored 'General case' 0 CA--C 1.541 0.617 0 C-N-CA 124.099 0.959 . . . . 10.0 111.753 171.995 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . 82.74 6.83 88.11 Favored Glycine 0 CA--C 1.536 1.401 0 C-N-CA 125.025 1.298 . . . . 10.0 114.232 -179.569 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 46.4 ttp180 -69.83 128.33 36.01 Favored 'General case' 0 N--CA 1.47 0.561 0 C-N-CA 127.028 2.131 . . . . 10.0 110.877 177.553 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 48.8 tttm -70.75 133.97 47.03 Favored 'General case' 0 N--CA 1.474 0.751 0 C-N-CA 123.778 0.831 . . . . 10.0 110.66 171.655 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 62.3 mt -105.79 -179.78 4.04 Favored 'General case' 0 CA--C 1.546 0.79 0 C-N-CA 126.918 2.087 . . . . 10.0 111.986 177.775 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 19.7 t0 -130.37 99.45 5.02 Favored 'General case' 0 CA--C 1.542 0.66 0 C-N-CA 126.037 1.735 . . . . 10.0 110.435 175.452 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . 70.0 mt -138.32 134.31 43.87 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.747 0 C-N-CA 127.45 2.3 . . . . 10.0 108.351 -177.64 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 23.6 t0 -86.46 93.13 9.06 Favored 'General case' 0 CA--C 1.541 0.62 0 CA-C-O 122.054 0.931 . . . . 10.0 110.347 169.781 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 21' ' ' PHE . . . . . . . . . . . . . 80.0 m-85 -74.18 -31.4 62.65 Favored 'General case' 0 CA--C 1.54 0.57 0 C-N-CA 126.493 1.917 . . . . 10.0 112.402 172.34 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 120.43 157.66 10.25 Favored Glycine 0 CA--C 1.532 1.14 0 C-N-CA 127.254 2.359 . . . . 10.0 109.914 -169.279 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -40.92 -59.07 1.53 Allowed 'General case' 0 CA--C 1.545 0.767 0 N-CA-C 115.198 1.555 . . . . 10.0 115.198 -169.68 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 9.2 mm-40 -63.12 -46.41 87.45 Favored 'General case' 0 N--CA 1.474 0.761 0 C-N-CA 124.016 0.927 . . . . 10.0 112.237 179.896 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -63.92 -39.14 97.03 Favored Glycine 0 CA--C 1.532 1.141 0 C-N-CA 124.645 1.117 . . . . 10.0 114.091 179.276 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 92.9 m-20 -58.05 -51.83 68.03 Favored 'General case' 0 CA--C 1.536 0.418 0 C-N-CA 126.041 1.736 . . . . 10.0 110.334 174.553 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 39.4 mtm105 -58.78 -46.76 86.79 Favored 'General case' 0 N--CA 1.477 0.914 0 C-N-CA 123.682 0.793 . . . . 10.0 111.823 174.372 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 28' ' ' TYR . . . . . . . . . . . . . 79.7 t80 -58.84 -53.15 61.65 Favored 'General case' 0 CA--C 1.535 0.403 0 C-N-CA 124.016 0.927 . . . . 10.0 112.144 179.851 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 29' ' ' TYR . . . . . . . . . . . . . 80.4 t80 -56.78 -52.05 66.55 Favored 'General case' 0 CA--C 1.536 0.405 0 C-N-CA 124.445 1.098 . . . . 10.0 112.312 175.708 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -50.72 -37.75 43.39 Favored 'General case' 0 CA--C 1.546 0.826 0 N-CA-C 113.541 0.941 . . . . 10.0 113.541 177.485 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -83.33 -23.69 32.43 Favored 'General case' 0 CA--C 1.551 1.006 0 N-CA-C 115.299 1.592 . . . . 10.0 115.299 176.452 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 32' ' ' ASN . . . . . . . . . . . . . 56.2 m-80 -129.93 11.47 5.6 Favored 'General case' 0 CA--C 1.549 0.92 0 N-CA-C 116.736 2.125 . . . . 10.0 116.736 -169.109 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 33' ' ' TYR . . . . . . . . . . . . . 44.4 p90 -50.59 -30.92 14.43 Favored 'General case' 0 N--CA 1.479 0.986 0 N-CA-C 115.207 1.558 . . . . 10.0 115.207 -174.635 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 34' ' ' TRP . . . . . . . . . . . . . 66.2 p-90 -50.03 -34.36 21.11 Favored 'General case' 0 CA--C 1.545 0.772 0 C-N-CA 126.189 1.795 . . . . 10.0 114.472 174.507 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 31.9 mt-30 -70.01 -32.62 70.87 Favored 'General case' 0 N--CA 1.474 0.743 0 N-CA-C 114.34 1.237 . . . . 10.0 114.34 178.552 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 36' ' ' PHE . . . . . . . . . . . . . 68.9 m-85 -79.21 154.94 77.23 Favored Pre-proline 0 CA--C 1.547 0.859 0 C-N-CA 126.221 1.809 . . . . 10.0 114.803 -168.954 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 69.7 Cg_endo -74.08 133.32 17.89 Favored 'Trans proline' 0 CA--C 1.541 0.858 0 C-N-CA 124.008 3.139 . . . . 10.0 110.983 169.866 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 6.3 t70 -85.13 -34.45 22.14 Favored 'General case' 0 N--CA 1.474 0.751 0 C-N-CA 124.067 0.947 . . . . 10.0 111.423 171.369 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . -133.68 174.62 20.67 Favored Glycine 0 CA--C 1.532 1.135 0 C-N-CA 125.686 1.612 . . . . 10.0 112.132 171.991 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 40' ' ' ILE . . . . . . . . . . . . . 96.3 mt -136.69 126.15 37.94 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.628 0 C-N-CA 125.069 1.347 . . . . 10.0 108.562 176.978 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 41' ' ' TYR . . . . . . . . . . . . . 75.5 t80 -71.95 95.48 1.58 Allowed 'General case' 0 CA--C 1.536 0.426 0 C-N-CA 124.077 0.951 . . . . 10.0 109.59 169.848 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 42' ' ' TYR . . . . . . . . . . . . . 88.7 t80 -153.71 134.63 13.86 Favored 'General case' 0 C--O 1.236 0.379 0 C-N-CA 124.924 1.29 . . . . 10.0 109.961 174.281 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 47.0 mt-10 -130.94 80.36 1.94 Allowed 'General case' 0 N--CA 1.469 0.511 0 C-N-CA 125.36 1.464 . . . . 10.0 110.293 -177.339 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . -69.65 -29.26 71.4 Favored Glycine 0 CA--C 1.536 1.362 0 C-N-CA 124.9 1.238 . . . . 10.0 114.006 178.379 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 45' ' ' CYS . . . . . . . . . . . . . 64.5 m -58.29 127.07 30.26 Favored 'General case' 0 CA--C 1.543 0.705 0 C-N-CA 126.293 1.837 . . . . 10.0 112.894 -178.533 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 23.8 t -141.7 -58.71 0.48 Allowed 'General case' 0 N--CA 1.471 0.606 0 C-N-CA 125.59 1.556 . . . . 10.0 111.505 177.207 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 11.2 pt-20 -148.12 160.38 42.96 Favored 'General case' 0 N--CA 1.472 0.645 0 C-N-CA 125.802 1.641 . . . . 10.0 112.006 -179.93 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -55.5 -22.29 20.45 Favored 'General case' 0 CA--C 1.545 0.772 0 N-CA-C 115.811 1.782 . . . . 10.0 115.811 -175.22 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 74.2 m-20 -64.05 -30.54 71.6 Favored 'General case' 0 CA--C 1.546 0.799 0 C-N-CA 124.349 1.06 . . . . 10.0 113.333 171.814 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . 48.5 t -66.11 126.78 26.13 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.842 0 C-N-CA 124.335 1.054 . . . . 10.0 109.02 169.908 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 3.3 m -110.11 165.55 11.66 Favored 'General case' 0 N--CA 1.481 1.095 0 C-N-CA 124.295 1.038 . . . . 10.0 110.328 -176.723 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 82.9 tttt -58.45 -50.63 73.01 Favored 'General case' 0 N--CA 1.472 0.668 0 O-C-N 121.043 -1.036 . . . . 10.0 112.486 177.775 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 46.0 mt-10 -51.62 -45.25 63.2 Favored 'General case' 0 N--CA 1.475 0.802 0 C-N-CA 124.008 0.923 . . . . 10.0 112.48 175.388 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 54' ' ' MET . . . . . . . . . . . . . 89.6 mtp -58.18 -55.33 36.36 Favored 'General case' 0 N--CA 1.471 0.583 0 C-N-CA 124.579 1.152 . . . . 10.0 111.49 172.4 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 8.9 tt -58.68 -52.6 65.02 Favored 'General case' 0 CA--C 1.534 0.348 0 C-N-CA 125.1 1.36 . . . . 10.0 112.773 -176.805 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 46.0 t -58.07 -48.8 83.44 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.909 0 C-N-CA 124.319 1.048 . . . . 10.0 111.051 -178.888 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 57' ' ' THR . . . . . . . . . . . . . 48.7 m -58.27 -50.3 74.09 Favored 'General case' 0 N--CA 1.476 0.856 0 C-N-CA 124.253 1.021 . . . . 10.0 111.781 174.949 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 50.1 m -60.96 -39.79 90.87 Favored 'General case' 0 N--CA 1.472 0.649 0 C-N-CA 124.279 1.032 . . . . 10.0 112.589 178.089 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 59' ' ' CYS . . . . . . . . . . . . . 38.2 t -58.89 -49.55 77.35 Favored 'General case' 0 CA--C 1.536 0.421 0 C-N-CA 126.06 1.744 . . . . 10.0 112.391 173.526 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 60' ' ' VAL . . . . . . . . . . . . . 54.3 t -54.7 -49.61 66.78 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.96 0 C-N-CA 123.931 0.892 . . . . 10.0 111.346 172.241 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 61' ' ' ASN . . . . . . . . . . . . . 19.6 m-80 -58.26 -46.04 86.72 Favored 'General case' 0 CA--C 1.546 0.802 0 C-N-CA 124.731 1.212 . . . . 10.0 113.18 175.558 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -60.88 -47.24 87.27 Favored 'General case' 0 CA--C 1.537 0.453 0 C-N-CA 124.469 1.108 . . . . 10.0 111.31 175.376 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 63' ' ' THR . . . . . . . . . . . . . 28.5 m -55.92 -48.43 75.7 Favored 'General case' 0 N--CA 1.471 0.622 0 C-N-CA 125.135 1.374 . . . . 10.0 111.611 176.916 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 64' ' ' GLN . . . . . . . . . . . . . 68.8 mt-30 -49.81 -60.2 3.12 Favored 'General case' 0 N--CA 1.47 0.573 0 C-N-CA 124.689 1.196 . . . . 10.0 111.843 171.138 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -56.09 -42.89 77.43 Favored 'General case' 0 CA--C 1.544 0.716 0 C-N-CA 125.624 1.569 . . . . 10.0 113.712 -179.29 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -68.61 -42.67 77.79 Favored 'General case' 0 CA--C 1.542 0.667 0 C-N-CA 124.996 1.318 . . . . 10.0 114.101 -179.241 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 67' ' ' ASN . . . . . . . . . . . . . 7.6 m-80 -115.88 39.46 3.03 Favored 'General case' 0 CA--C 1.546 0.789 0 C-N-CA 124.544 1.138 . . . . 10.0 112.532 -169.683 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 68' ' ' GLN . . . . . . . . . . . . . 59.5 mt-30 -51.49 -48.32 62.92 Favored 'General case' 0 N--CA 1.475 0.778 0 C-N-CA 125.631 1.572 . . . . 10.0 113.258 -177.141 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -55.11 -48.78 73.15 Favored 'General case' 0 CA--C 1.541 0.62 0 C-N-CA 125.088 1.355 . . . . 10.0 113.041 179.802 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 10.0 mm-40 -54.36 -56.47 18.23 Favored 'General case' 0 N--CA 1.473 0.693 0 C-N-CA 124.945 1.298 . . . . 10.0 111.165 179.111 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 71' ' ' PHE . . . . . . . . . . . . . 26.3 m-85 -58.33 -51.52 69.44 Favored 'General case' 0 CA--C 1.535 0.398 0 C-N-CA 124.327 1.051 . . . . 10.0 112.224 177.5 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 65.7 m -55.5 -49.69 71.91 Favored 'General case' 0 N--CA 1.474 0.761 0 C-N-CA 124.966 1.306 . . . . 10.0 113.036 -178.749 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 73' ' ' ARG . . . . . . . . . . . . . 98.2 mtt180 -59.84 -51.24 70.55 Favored 'General case' 0 N--CA 1.475 0.784 0 C-N-CA 125.536 1.534 . . . . 10.0 112.187 177.857 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 41.8 mm-40 -66.31 -60.01 3.17 Favored 'General case' 0 CA--C 1.541 0.6 0 C-N-CA 124.676 1.191 . . . . 10.0 113.135 -178.596 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 43.0 tttm -35.26 -51.46 0.57 Allowed 'General case' 0 N--CA 1.479 1.022 0 C-N-CA 128.505 2.722 . . . . 10.0 116.212 -169.957 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 76' ' ' GLN . . . . . . . . . . . . . 17.3 mm100 -60.34 -19.88 57.17 Favored 'General case' 0 CA--C 1.545 0.77 0 N-CA-C 114.566 1.321 . . . . 10.0 114.566 -172.433 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 32.2 t70 -130.32 -45.33 1.11 Allowed 'General case' 0 N--CA 1.473 0.713 0 C-N-CA 125.741 1.616 . . . . 10.0 112.579 175.608 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -78.91 53.91 1.48 Allowed 'General case' 0 CA--C 1.545 0.761 0 C-N-CA 127.937 2.495 . . . . 10.0 112.726 -175.436 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 99.3 mttt -59.21 -48.86 80.04 Favored 'General case' 0 N--CA 1.476 0.869 0 C-N-CA 125.806 1.642 . . . . 10.0 112.815 -175.023 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 44.8 tp -59.34 -44.93 92.59 Favored 'General case' 0 N--CA 1.47 0.569 0 C-N-CA 123.656 0.783 . . . . 10.0 111.817 173.963 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 81' ' ' HIS . . . . . . . . . . . . . 17.2 t-160 -52.02 -52.91 47.67 Favored 'General case' 0 N--CA 1.471 0.595 0 CA-C-O 118.384 -0.817 . . . . 10.0 111.477 176.753 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 82' ' ' GLN . . . . . . . . . . . . . 20.6 mm100 -49.68 -54.19 20.11 Favored 'General case' 0 N--CA 1.472 0.636 0 C-N-CA 123.814 0.846 . . . . 10.0 112.554 176.756 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 83' ' ' ARG . . . . . . . . . . . . . 71.5 ttt-85 -51.35 -56.6 12.22 Favored 'General case' 0 N--CA 1.478 0.941 0 C-N-CA 124.345 1.058 . . . . 10.0 112.329 178.052 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 84' ' ' VAL . . . . . . . . . . . . . 45.9 t -58.52 -50.55 78.51 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.924 0 C-N-CA 125.809 1.643 . . . . 10.0 110.984 179.119 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 85' ' ' LEU . . . . . . . . . . . . . 48.9 tp -55.18 -50.34 69.59 Favored 'General case' 0 CA--C 1.537 0.476 0 C-N-CA 126.446 1.898 . . . . 10.0 112.313 177.461 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 86' ' ' TRP . . . . . . . . . . . . . 61.0 m95 -60.82 -43.68 97.89 Favored 'General case' 0 N--CA 1.47 0.528 0 N-CA-C 113.885 1.069 . . . . 10.0 113.885 175.489 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 87' ' ' ARG . . . . . . . . . . . . . 37.4 tpt85 -55.68 -45.51 77.76 Favored 'General case' 0 N--CA 1.476 0.849 0 C-N-CA 123.602 0.761 . . . . 10.0 112.116 173.246 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 88' ' ' LEU . . . . . . . . . . . . . 34.1 tp -64.51 -49.69 70.32 Favored 'General case' 0 CA--C 1.541 0.61 0 C-N-CA 125.037 1.335 . . . . 10.0 112.956 173.289 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 89' ' ' ILE . . . . . . . . . . . . . 66.8 mt -50.04 -49.39 21.9 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.82 0 CA-C-N 119.422 1.01 . . . . 10.0 110.429 173.649 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 85.4 tttt -56.82 -47.88 79.29 Favored 'General case' 0 N--CA 1.469 0.477 0 CA-C-O 118.123 -0.942 . . . . 10.0 112.699 173.463 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 25.2 tp10 -51.35 -50.82 58.75 Favored 'General case' 0 N--CA 1.475 0.794 0 CA-C-N 119.816 1.189 . . . . 10.0 112.34 173.562 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 92' ' ' ILE . . . . . . . . . . . . . 93.8 mt -58.1 -52.44 58.59 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.771 0 C-N-CA 124.837 1.255 . . . . 10.0 111.155 175.442 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 93' ' ' CYS . . . . . . . . . . . . . 81.1 m -56.26 -45.94 79.87 Favored 'General case' 0 CA--C 1.545 0.787 0 C-N-CA 124.403 1.081 . . . . 10.0 112.639 178.066 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 58.0 m -60.38 -38.45 83.99 Favored 'General case' 0 N--CA 1.475 0.782 0 C-N-CA 125.552 1.541 . . . . 10.0 113.68 171.806 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . -64.95 -51.64 60.7 Favored 'General case' 0 CA--C 1.544 0.718 0 C-N-CA 124.569 1.148 . . . . 10.0 113.118 -179.372 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 96' ' ' LYS . . . . . . . . . . . . . 1.5 ptpm? -59.81 119.15 7.13 Favored 'General case' 0 N--CA 1.48 1.033 0 C-N-CA 123.772 0.829 . . . . 10.0 111.897 178.849 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 97' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER -130.62 141.96 50.44 Favored 'General case' 0 N--CA 1.468 0.459 0 C-N-CA 126.063 1.745 . . . . 10.0 113.957 -169.888 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 98' ' ' CYS . . . . . . . . . . . . . 34.1 m -83.43 131.77 35.01 Favored 'General case' 0 CA--C 1.537 0.473 0 C-N-CA 123.53 0.732 . . . . 10.0 112.256 -179.477 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 99' ' ' ASP . . . . . . . . . . . . . 31.9 t70 -59.21 -38.96 81.21 Favored 'General case' 0 CA--C 1.543 0.702 0 C-N-CA 124.778 1.231 . . . . 10.0 113.022 178.138 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 100' ' ' PHE . . . . . . . . . . . . . 5.8 p90 -68.96 -14.24 62.92 Favored 'General case' 0 CA--C 1.544 0.721 0 N-CA-C 115.39 1.626 . . . . 10.0 115.39 -178.838 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 101' ' ' TRP . . . . . . . . . . . . . 22.1 m0 . . . . . 0 N--CA 1.472 0.674 0 CA-C-N 120.067 1.303 . . . . 10.0 112.672 -176.494 . . . . . . . . 0 0 . 1 . 002 nuclear build core ' A' A ' 5' ' ' ASN . . . . . . . . . . . . . 13.6 t-20 . . . . . 0 CA--C 1.548 0.894 0 CA-C-O 122.285 1.04 . . . . 10.0 110.71 . . . . . . . . . 0 0 . 1 . 002 nuclear build core ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -83.34 157.84 64.55 Favored Pre-proline 0 CA--C 1.546 0.802 0 C-N-CA 127.011 2.124 . . . . 10.0 112.154 171.978 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 7' ' ' PRO . . . . . . . . . . . . . 82.4 Cg_exo -48.68 124.72 11.46 Favored 'Trans proline' 0 C--N 1.35 0.651 0 C-N-CA 123.984 3.123 . . . . 10.0 113.662 178.808 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . 112.17 -20.37 21.51 Favored Glycine 0 CA--C 1.534 1.257 0 C-N-CA 126.184 1.849 . . . . 10.0 114.149 -174.019 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -57.93 129.82 43.66 Favored 'General case' 0 CA--C 1.547 0.838 0 CA-C-N 119.318 1.559 . . . . 10.0 113.445 -171.793 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 10' ' ' PHE . . . . . . . . . . . . . 14.7 m-30 -57.16 144.84 33.44 Favored 'General case' 0 CA--C 1.541 0.625 0 C-N-CA 125.055 1.342 . . . . 10.0 112.816 173.628 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 73.7 mt -122.33 105.66 16.56 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.509 0 C-N-CA 125.357 1.463 . . . . 10.0 107.165 169.799 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 78.5 mttt -106.64 107.38 18.36 Favored 'General case' 0 N--CA 1.471 0.615 0 C-N-CA 126.063 1.745 . . . . 10.0 109.638 178.069 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 31.8 mt-30 -112.78 -40.47 4.01 Favored 'General case' 0 CA--C 1.538 0.512 0 C-N-CA 127.616 2.367 . . . . 10.0 110.789 -178.459 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . 106.35 62.72 0.6 Allowed Glycine 0 CA--C 1.528 0.891 0 C-N-CA 125.825 1.679 . . . . 10.0 111.038 179.351 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 57.7 ttp85 -136.4 102.54 4.99 Favored 'General case' 0 N--CA 1.469 0.523 0 C-N-CA 126.538 1.935 . . . . 10.0 110.42 -169.665 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 40.9 tttm -65.91 129.95 41.56 Favored 'General case' 0 N--CA 1.473 0.702 0 C-N-CA 124.391 1.076 . . . . 10.0 111.307 179.348 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 65.0 mt -95.2 -179.87 4.95 Favored 'General case' 0 CA--C 1.547 0.84 0 C-N-CA 126.451 1.9 . . . . 10.0 111.986 174.25 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 25.9 t70 -129.18 100.42 5.61 Favored 'General case' 0 CA--C 1.542 0.651 0 C-N-CA 125.365 1.466 . . . . 10.0 110.501 173.616 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . 73.1 mt -135.32 131.89 52.04 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.707 0 C-N-CA 127.472 2.309 . . . . 10.0 108.018 -176.097 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 24.1 t0 -89.74 84.68 6.3 Favored 'General case' 0 CA--C 1.54 0.576 0 CA-C-O 122.048 0.928 . . . . 10.0 110.955 172.529 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 21' ' ' PHE . . . . . . . . . . . . . 83.8 m-85 -62.91 -43.16 99.54 Favored 'General case' 0 CA--C 1.539 0.553 0 C-N-CA 127.0 2.12 . . . . 10.0 111.89 170.837 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 132.16 157.47 8.64 Favored Glycine 0 CA--C 1.532 1.115 0 C-N-CA 128.186 2.803 . . . . 10.0 109.087 -169.306 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -40.63 -59.29 1.4 Allowed 'General case' 0 CA--C 1.547 0.848 0 CA-C-N 119.354 1.577 . . . . 10.0 115.151 -169.612 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 5.3 tp10 -65.7 -40.11 91.95 Favored 'General case' 0 N--CA 1.474 0.76 0 C-N-CA 124.01 0.924 . . . . 10.0 112.869 -179.553 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -67.49 -41.63 90.14 Favored Glycine 0 CA--C 1.533 1.204 0 C-N-CA 124.41 1.005 . . . . 10.0 113.66 177.344 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 78.5 m-20 -56.09 -50.53 70.77 Favored 'General case' 0 CA--C 1.535 0.399 0 C-N-CA 126.434 1.894 . . . . 10.0 110.27 172.354 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 30.8 mtp85 -55.09 -51.83 65.13 Favored 'General case' 0 N--CA 1.475 0.807 0 C-N-CA 125.613 1.565 . . . . 10.0 111.151 174.122 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 28' ' ' TYR . . . . . . . . . . . . . 62.6 t80 -57.77 -54.81 42.7 Favored 'General case' 0 CA--C 1.536 0.429 0 C-N-CA 124.369 1.068 . . . . 10.0 112.675 179.148 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 29' ' ' TYR . . . . . . . . . . . . . 78.8 t80 -56.62 -52.39 65.03 Favored 'General case' 0 CA--C 1.537 0.481 0 C-N-CA 124.249 1.02 . . . . 10.0 112.204 177.028 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -51.06 -39.66 56.51 Favored 'General case' 0 CA--C 1.546 0.792 0 N-CA-C 113.507 0.929 . . . . 10.0 113.507 177.087 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -80.66 -26.16 37.8 Favored 'General case' 0 CA--C 1.551 1.004 0 N-CA-C 115.18 1.548 . . . . 10.0 115.18 176.562 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 32' ' ' ASN . . . . . . . . . . . . . 55.6 m-80 -127.93 10.69 6.5 Favored 'General case' 0 CA--C 1.548 0.866 0 N-CA-C 116.914 2.19 . . . . 10.0 116.914 -169.021 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 33' ' ' TYR . . . . . . . . . . . . . 47.3 p90 -50.24 -31.53 14.28 Favored 'General case' 0 N--CA 1.479 1.004 0 C-N-CA 125.394 1.477 . . . . 10.0 114.834 -175.371 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 34' ' ' TRP . . . . . . . . . . . . . 64.9 p-90 -50.64 -33.65 23.25 Favored 'General case' 0 CA--C 1.545 0.781 0 C-N-CA 126.142 1.777 . . . . 10.0 114.445 173.803 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 30.7 mt-30 -69.59 -35.64 75.52 Favored 'General case' 0 N--CA 1.474 0.731 0 C-N-CA 124.354 1.062 . . . . 10.0 113.491 176.392 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 36' ' ' PHE . . . . . . . . . . . . . 54.3 m-85 -76.57 153.16 83.56 Favored Pre-proline 0 CA--C 1.544 0.724 0 C-N-CA 125.887 1.675 . . . . 10.0 113.256 -169.652 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 87.7 Cg_endo -73.36 102.71 1.51 Allowed 'Trans proline' 0 CA--C 1.537 0.638 0 C-N-CA 123.428 2.752 . . . . 10.0 109.951 169.591 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 3.3 p30 -66.67 -27.82 67.96 Favored 'General case' 0 N--CA 1.474 0.77 0 O-C-N 120.777 -1.202 . . . . 10.0 112.292 176.402 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . -125.95 165.44 19.12 Favored Glycine 0 CA--C 1.536 1.376 0 C-N-CA 125.404 1.478 . . . . 10.0 111.332 169.105 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 40' ' ' ILE . . . . . . . . . . . . . 95.2 mt -136.68 124.73 34.13 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.781 0 C-N-CA 124.802 1.241 . . . . 10.0 108.717 173.408 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 41' ' ' TYR . . . . . . . . . . . . . 85.7 t80 -73.23 117.68 15.27 Favored 'General case' 0 CA--C 1.534 0.357 0 C-N-CA 124.047 0.939 . . . . 10.0 109.494 169.961 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 42' ' ' TYR . . . . . . . . . . . . . 79.6 t80 -152.63 154.29 35.05 Favored 'General case' 0 CA--C 1.54 0.567 0 C-N-CA 124.004 0.922 . . . . 10.0 111.611 176.611 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 44.7 mt-10 -125.88 94.21 4.05 Favored 'General case' 0 N--CA 1.469 0.514 0 C-N-CA 125.873 1.669 . . . . 10.0 110.233 -176.691 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . -90.96 -55.64 1.84 Allowed Glycine 0 CA--C 1.532 1.102 0 C-N-CA 125.166 1.365 . . . . 10.0 113.978 -172.618 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 45' ' ' CYS . . . . . . . . . . . . . 74.3 m -56.64 118.88 5.29 Favored 'General case' 0 CA--C 1.546 0.808 0 C-N-CA 125.426 1.491 . . . . 10.0 112.551 177.685 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 66.6 p -137.84 -58.72 0.67 Allowed 'General case' 0 N--CA 1.473 0.679 0 C-N-CA 126.175 1.79 . . . . 10.0 111.353 171.077 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 12.2 pt-20 -143.72 153.23 42.24 Favored 'General case' 0 CA--C 1.542 0.67 0 C-N-CA 126.168 1.787 . . . . 10.0 112.761 177.048 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -54.05 -25.37 21.17 Favored 'General case' 0 CA--C 1.546 0.793 0 C-N-CA 126.138 1.775 . . . . 10.0 115.423 -175.262 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 78.5 m-20 -60.61 -30.7 70.01 Favored 'General case' 0 CA--C 1.544 0.741 0 C-N-CA 124.675 1.19 . . . . 10.0 113.353 174.729 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . 59.8 t -65.52 109.9 1.1 Allowed 'Isoleucine or valine' 0 N--CA 1.477 0.879 0 C-N-CA 124.822 1.249 . . . . 10.0 110.183 175.475 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 44.2 p -83.01 174.97 10.41 Favored 'General case' 0 N--CA 1.478 0.943 0 C-N-CA 124.673 1.189 . . . . 10.0 112.113 175.771 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 84.9 tttt -60.03 -50.0 75.46 Favored 'General case' 0 N--CA 1.474 0.773 0 O-C-N 121.163 -0.961 . . . . 10.0 111.799 169.806 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 44.9 mt-10 -51.29 -48.6 62.22 Favored 'General case' 0 N--CA 1.471 0.594 0 C-N-CA 124.072 0.949 . . . . 10.0 111.726 175.428 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 54' ' ' MET . . . . . . . . . . . . . 97.2 mtp -57.07 -56.26 24.08 Favored 'General case' 0 N--CA 1.469 0.479 0 C-N-CA 124.027 0.931 . . . . 10.0 112.441 172.029 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 6.4 tt -58.47 -55.18 38.4 Favored 'General case' 0 CA--C 1.54 0.559 0 C-N-CA 124.943 1.297 . . . . 10.0 112.18 -174.616 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 99.6 t -57.42 -48.65 82.31 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.822 0 C-N-CA 125.679 1.592 . . . . 10.0 111.252 -179.722 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 57' ' ' THR . . . . . . . . . . . . . 63.8 m -61.42 -47.76 84.3 Favored 'General case' 0 N--CA 1.478 0.947 0 C-N-CA 124.183 0.993 . . . . 10.0 111.749 176.691 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 61.6 m -60.04 -38.57 83.16 Favored 'General case' 0 N--CA 1.47 0.554 0 C-N-CA 124.221 1.008 . . . . 10.0 112.357 176.57 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 59' ' ' CYS . . . . . . . . . . . . . 34.6 t -57.65 -49.64 75.79 Favored 'General case' 0 CA--C 1.539 0.524 0 C-N-CA 124.988 1.315 . . . . 10.0 112.9 171.588 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 60' ' ' VAL . . . . . . . . . . . . . 42.4 t -55.67 -48.98 77.06 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.135 0 CA-C-N 119.258 0.935 . . . . 10.0 111.585 172.666 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 61' ' ' ASN . . . . . . . . . . . . . 18.2 m-80 -58.78 -45.24 90.26 Favored 'General case' 0 CA--C 1.544 0.726 0 C-N-CA 124.554 1.142 . . . . 10.0 112.949 176.076 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -61.54 -46.15 91.14 Favored 'General case' 0 CA--C 1.538 0.516 0 C-N-CA 124.411 1.085 . . . . 10.0 111.371 175.032 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 63' ' ' THR . . . . . . . . . . . . . 33.9 m -54.87 -49.01 72.21 Favored 'General case' 0 N--CA 1.472 0.644 0 C-N-CA 125.447 1.499 . . . . 10.0 111.757 175.865 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 64' ' ' GLN . . . . . . . . . . . . . 71.2 mt-30 -50.26 -59.35 4.05 Favored 'General case' 0 N--CA 1.469 0.522 0 C-N-CA 124.594 1.157 . . . . 10.0 112.054 171.753 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -56.04 -42.19 76.17 Favored 'General case' 0 CA--C 1.546 0.798 0 C-N-CA 125.441 1.496 . . . . 10.0 113.744 179.819 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -70.65 -35.64 72.99 Favored 'General case' 0 CA--C 1.545 0.757 0 C-N-CA 125.234 1.414 . . . . 10.0 114.656 -178.788 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 67' ' ' ASN . . . . . . . . . . . . . 7.1 m-80 -124.73 40.35 3.76 Favored 'General case' 0 N--CA 1.476 0.845 0 C-N-CA 124.042 0.937 . . . . 10.0 113.108 -169.631 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 68' ' ' GLN . . . . . . . . . . . . . 92.1 mt-30 -52.89 -46.7 68.09 Favored 'General case' 0 N--CA 1.475 0.793 0 C-N-CA 125.806 1.642 . . . . 10.0 113.611 -176.046 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -55.03 -49.32 71.87 Favored 'General case' 0 CA--C 1.541 0.613 0 C-N-CA 124.993 1.317 . . . . 10.0 112.767 179.796 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 10.4 mm-40 -56.39 -51.57 67.83 Favored 'General case' 0 N--CA 1.471 0.582 0 C-N-CA 124.941 1.297 . . . . 10.0 111.862 178.831 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 71' ' ' PHE . . . . . . . . . . . . . 34.6 m-85 -61.03 -43.12 99.36 Favored 'General case' 0 N--CA 1.468 0.473 0 C-N-CA 123.749 0.819 . . . . 10.0 112.851 175.922 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 56.9 m -58.1 -49.96 75.15 Favored 'General case' 0 N--CA 1.473 0.71 0 C-N-CA 124.451 1.1 . . . . 10.0 112.187 176.195 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 73' ' ' ARG . . . . . . . . . . . . . 93.7 mtt180 -58.38 -61.16 2.78 Favored 'General case' 0 N--CA 1.475 0.808 0 C-N-CA 126.273 1.829 . . . . 10.0 111.994 176.252 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 67.1 mm-40 -79.92 47.23 0.86 Allowed 'General case' 0 N--CA 1.473 0.714 0 C-N-CA 125.821 1.648 . . . . 10.0 112.714 -173.854 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 84.4 tttt -147.29 -33.55 0.27 Allowed 'General case' 0 N--CA 1.475 0.795 0 C-N-CA 126.705 2.002 . . . . 10.0 113.32 178.758 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 76' ' ' GLN . . . . . . . . . . . . . 92.6 mm-40 -48.14 -48.12 34.37 Favored 'General case' 0 N--CA 1.476 0.865 0 C-N-CA 125.629 1.572 . . . . 10.0 113.185 -177.883 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 25.4 t0 -139.51 57.22 1.64 Allowed 'General case' 0 CA--C 1.545 0.763 0 C-N-CA 125.284 1.433 . . . . 10.0 110.344 169.947 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 10.7 t -153.54 131.2 11.5 Favored 'General case' 0 N--CA 1.472 0.656 0 C-N-CA 125.34 1.456 . . . . 10.0 111.46 -178.867 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 24.4 ttmm -124.57 -59.59 1.44 Allowed 'General case' 0 N--CA 1.478 0.933 0 C-N-CA 126.22 1.808 . . . . 10.0 111.358 -177.151 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 50.1 tp -51.25 -44.01 61.64 Favored 'General case' 0 CA--C 1.538 0.515 0 C-N-CA 125.514 1.525 . . . . 10.0 112.203 176.767 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 81' ' ' HIS . . . . . . . . . . . . . 8.7 t-160 -56.28 -54.16 48.72 Favored 'General case' 0 N--CA 1.468 0.462 0 CA-C-O 118.078 -0.963 . . . . 10.0 111.806 177.064 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 82' ' ' GLN . . . . . . . . . . . . . 89.2 mm-40 -49.9 -54.41 19.8 Favored 'General case' 0 N--CA 1.477 0.91 0 CA-C-N 119.539 1.063 . . . . 10.0 112.176 177.015 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 83' ' ' ARG . . . . . . . . . . . . . 25.7 mmm180 -50.98 -55.68 16.14 Favored 'General case' 0 N--CA 1.479 0.977 0 C-N-CA 124.916 1.287 . . . . 10.0 112.296 -179.817 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 84' ' ' VAL . . . . . . . . . . . . . 43.4 t -63.19 -49.51 82.91 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.819 0 C-N-CA 125.408 1.483 . . . . 10.0 111.108 178.292 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 85' ' ' LEU . . . . . . . . . . . . . 46.2 tp -56.29 -46.41 79.77 Favored 'General case' 0 N--CA 1.47 0.545 0 C-N-CA 126.277 1.831 . . . . 10.0 112.939 -179.923 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 86' ' ' TRP . . . . . . . . . . . . . 64.9 m95 -63.5 -44.21 94.98 Favored 'General case' 0 N--CA 1.467 0.408 0 N-CA-C 113.719 1.007 . . . . 10.0 113.719 175.841 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 87' ' ' ARG . . . . . . . . . . . . . 14.8 tpt180 -56.82 -50.82 71.23 Favored 'General case' 0 N--CA 1.475 0.794 0 CA-C-N 118.741 0.7 . . . . 10.0 111.507 170.585 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 88' ' ' LEU . . . . . . . . . . . . . 2.4 tm? -51.66 -55.07 21.54 Favored 'General case' 0 CA--C 1.544 0.726 0 C-N-CA 126.389 1.876 . . . . 10.0 111.782 175.44 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 89' ' ' ILE . . . . . . . . . . . . . 74.2 mt -53.53 -52.47 32.72 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.798 0 C-N-CA 124.683 1.193 . . . . 10.0 110.965 174.074 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 39.9 ttmt -58.84 -43.46 90.71 Favored 'General case' 0 N--CA 1.47 0.571 0 C-N-CA 124.431 1.092 . . . . 10.0 113.259 -179.688 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 51.4 mm-40 -56.35 -48.89 75.88 Favored 'General case' 0 N--CA 1.473 0.719 0 CA-C-N 119.713 1.142 . . . . 10.0 111.996 172.464 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 92' ' ' ILE . . . . . . . . . . . . . 96.8 mt -57.82 -51.42 70.54 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.802 0 C-N-CA 124.186 0.994 . . . . 10.0 111.115 174.296 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 93' ' ' CYS . . . . . . . . . . . . . 92.1 m -56.97 -45.47 82.89 Favored 'General case' 0 CA--C 1.546 0.798 0 C-N-CA 124.096 0.958 . . . . 10.0 112.66 175.603 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 70.5 m -54.76 -38.04 66.71 Favored 'General case' 0 N--CA 1.476 0.874 0 C-N-CA 125.989 1.716 . . . . 10.0 113.546 177.156 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . -67.17 -17.08 64.68 Favored 'General case' 0 CA--C 1.548 0.892 0 N-CA-C 114.789 1.403 . . . . 10.0 114.789 178.455 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 96' ' ' LYS . . . . . . . . . . . . . 46.4 mttm -77.25 59.62 1.82 Allowed 'General case' 0 N--CA 1.481 1.114 0 C-N-CA 125.6 1.56 . . . . 10.0 113.168 -173.929 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 97' ' ' HIS . . . . . 0.413 ' HA ' ' CZ3' ' A' ' 101' ' ' TRP . 0.3 OUTLIER -68.45 126.25 29.04 Favored 'General case' 0 N--CA 1.471 0.618 0 C-N-CA 124.665 1.186 . . . . 10.0 112.428 177.754 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 98' ' ' CYS . . . . . . . . . . . . . 17.7 t -82.28 144.67 30.45 Favored 'General case' 0 CA--C 1.542 0.641 0 N-CA-C 113.315 0.858 . . . . 10.0 113.315 -178.248 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 99' ' ' ASP . . . . . . . . . . . . . 31.5 t70 -61.46 -48.3 81.75 Favored 'General case' 0 CA--C 1.542 0.654 0 C-N-CA 125.995 1.718 . . . . 10.0 113.582 179.208 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 100' ' ' PHE . . . . . . . . . . . . . 1.0 OUTLIER -71.55 -10.45 59.78 Favored 'General case' 0 N--CA 1.473 0.681 0 N-CA-C 115.432 1.641 . . . . 10.0 115.432 -173.397 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 101' ' ' TRP . . . . . 0.413 ' CZ3' ' HA ' ' A' ' 97' ' ' HIS . 42.2 m0 . . . . . 0 N--CA 1.473 0.709 0 CA-C-N 119.684 1.129 . . . . 10.0 113.674 -176.986 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 5' ' ' ASN . . . . . . . . . . . . . 2.5 m120 . . . . . 0 CA--C 1.54 0.562 0 CA-C-O 122.347 1.07 . . . . 10.0 109.742 . . . . . . . . . 0 0 . 1 . 003 nuclear build core ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 4.0 ptp180 -72.61 146.21 88.24 Favored Pre-proline 0 N--CA 1.475 0.816 0 C-N-CA 124.746 1.219 . . . . 10.0 109.7 169.162 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 7' ' ' PRO . . . . . . . . . . . . . 75.2 Cg_exo -50.58 114.77 1.6 Allowed 'Trans proline' 0 CA--C 1.541 0.828 0 C-N-CA 123.043 2.495 . . . . 10.0 112.414 175.77 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . 111.09 -10.99 29.21 Favored Glycine 0 CA--C 1.539 1.54 0 C-N-CA 126.404 1.954 . . . . 10.0 115.081 -173.95 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -59.2 130.64 47.94 Favored 'General case' 0 CA--C 1.545 0.769 0 CA-C-N 120.21 2.005 . . . . 10.0 113.405 -173.045 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 10' ' ' PHE . . . . . . . . . . . . . 15.3 m-30 -58.6 147.0 33.99 Favored 'General case' 0 CA--C 1.541 0.625 0 C-N-CA 123.853 0.861 . . . . 10.0 112.572 170.715 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 65.1 mt -120.92 94.93 3.23 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.468 0 C-N-CA 125.878 1.671 . . . . 10.0 106.995 169.725 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 58.5 mtmt -91.71 80.51 5.31 Favored 'General case' 0 N--CA 1.475 0.792 0 C-N-CA 125.598 1.559 . . . . 10.0 111.119 -173.303 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 24.3 mt-30 -74.21 -31.59 62.69 Favored 'General case' 0 N--CA 1.472 0.655 0 C-N-CA 123.795 0.838 . . . . 10.0 111.478 169.962 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . 74.35 58.91 4.07 Favored Glycine 0 CA--C 1.532 1.136 0 C-N-CA 124.895 1.236 . . . . 10.0 112.063 178.535 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 33.7 ttp180 -124.16 133.24 53.62 Favored 'General case' 0 N--CA 1.473 0.686 0 C-N-CA 127.226 2.211 . . . . 10.0 110.304 -172.359 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 79.8 tttt -73.21 100.93 3.22 Favored 'General case' 0 N--CA 1.475 0.777 0 C-N-CA 125.487 1.515 . . . . 10.0 111.888 -176.076 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 68.9 mt -78.95 163.21 25.42 Favored 'General case' 0 CA--C 1.544 0.734 0 C-N-CA 126.567 1.947 . . . . 10.0 112.356 177.109 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 11.4 m-20 -103.77 91.39 3.98 Favored 'General case' 0 CA--C 1.544 0.732 0 C-N-CA 126.112 1.765 . . . . 10.0 110.473 175.621 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . 78.9 mt -136.92 129.95 44.97 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.892 0 C-N-CA 126.608 1.963 . . . . 10.0 108.564 -179.202 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 23.0 t0 -92.23 84.93 5.29 Favored 'General case' 0 N--CA 1.471 0.588 0 C-N-CA 123.998 0.919 . . . . 10.0 110.594 172.525 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 21' ' ' PHE . . . . . . . . . . . . . 84.7 m-85 -63.78 -36.48 84.02 Favored 'General case' 0 CA--C 1.538 0.493 0 C-N-CA 127.104 2.161 . . . . 10.0 112.808 175.739 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 125.93 158.9 10.09 Favored Glycine 0 CA--C 1.533 1.211 0 C-N-CA 127.656 2.55 . . . . 10.0 110.154 -169.471 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -42.6 -57.05 2.85 Favored 'General case' 0 CA--C 1.548 0.868 0 N-CA-C 115.384 1.624 . . . . 10.0 115.384 -169.729 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 31.2 mm-40 -64.14 -47.39 80.12 Favored 'General case' 0 N--CA 1.473 0.716 0 C-N-CA 124.074 0.95 . . . . 10.0 112.188 178.973 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -64.15 -39.1 96.83 Favored Glycine 0 CA--C 1.532 1.096 0 C-N-CA 124.457 1.027 . . . . 10.0 113.975 179.832 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 94.2 m-20 -57.77 -51.39 69.74 Favored 'General case' 0 CA--C 1.536 0.431 0 C-N-CA 125.754 1.622 . . . . 10.0 110.452 173.651 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 72.9 mtp85 -58.57 -47.17 85.16 Favored 'General case' 0 N--CA 1.475 0.79 0 C-N-CA 124.938 1.295 . . . . 10.0 111.644 176.038 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 28' ' ' TYR . . . . . . . . . . . . . 71.5 t80 -59.19 -54.15 50.23 Favored 'General case' 0 CA--C 1.536 0.407 0 C-N-CA 124.574 1.149 . . . . 10.0 111.896 177.727 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 29' ' ' TYR . . . . . . . . . . . . . 74.0 t80 -56.64 -52.02 66.49 Favored 'General case' 0 CA--C 1.535 0.391 0 C-N-CA 124.917 1.287 . . . . 10.0 112.537 177.514 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -50.36 -35.77 29.41 Favored 'General case' 0 CA--C 1.546 0.809 0 N-CA-C 113.802 1.038 . . . . 10.0 113.802 177.06 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -86.25 -19.01 30.59 Favored 'General case' 0 CA--C 1.551 1.005 0 N-CA-C 115.151 1.537 . . . . 10.0 115.151 176.345 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 32' ' ' ASN . . . . . . . . . . . . . 64.0 m-80 -131.16 6.44 4.55 Favored 'General case' 0 CA--C 1.548 0.888 0 N-CA-C 116.842 2.164 . . . . 10.0 116.842 -169.239 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 33' ' ' TYR . . . . . . . . . . . . . 41.0 p90 -50.22 -29.85 10.32 Favored 'General case' 0 N--CA 1.479 0.976 0 C-N-CA 125.906 1.682 . . . . 10.0 115.256 -175.125 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 34' ' ' TRP . . . . . . . . . . . . . 64.7 p-90 -51.34 -35.64 39.21 Favored 'General case' 0 CA--C 1.545 0.762 0 C-N-CA 126.138 1.775 . . . . 10.0 114.041 173.105 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 30.1 mt-30 -70.55 -39.56 73.9 Favored 'General case' 0 N--CA 1.473 0.709 0 C-N-CA 124.897 1.279 . . . . 10.0 113.801 177.731 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 36' ' ' PHE . . . . . . . . . . . . . 71.7 m-85 -68.52 153.45 95.71 Favored Pre-proline 0 CA--C 1.546 0.791 0 C-N-CA 125.823 1.649 . . . . 10.0 115.333 -168.968 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 97.4 Cg_endo -71.77 128.24 13.98 Favored 'Trans proline' 0 CA--C 1.539 0.754 0 C-N-CA 123.591 2.86 . . . . 10.0 110.449 169.803 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 8.6 t70 -84.7 -34.47 22.95 Favored 'General case' 0 CA--C 1.543 0.676 0 C-N-CA 124.977 1.311 . . . . 10.0 111.525 173.445 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . -131.87 172.02 21.12 Favored Glycine 0 CA--C 1.532 1.13 0 C-N-CA 125.835 1.683 . . . . 10.0 111.886 171.341 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 40' ' ' ILE . . . . . . . . . . . . . 96.8 mt -136.74 124.54 33.26 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.568 0 C-N-CA 125.038 1.335 . . . . 10.0 108.367 173.836 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 41' ' ' TYR . . . . . . . . . . . . . 86.3 t80 -71.61 101.15 2.44 Favored 'General case' 0 CA--C 1.538 0.496 0 C-N-CA 123.79 0.836 . . . . 10.0 110.05 170.272 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 42' ' ' TYR . . . . . . . . . . . . . 89.5 t80 -156.62 137.1 13.06 Favored 'General case' 0 CA--C 1.534 0.343 0 C-N-CA 125.337 1.455 . . . . 10.0 110.02 173.043 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 43.9 mt-10 -131.5 81.38 1.98 Allowed 'General case' 0 N--CA 1.47 0.551 0 C-N-CA 125.465 1.506 . . . . 10.0 110.462 -174.562 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . -76.09 -38.63 34.54 Favored Glycine 0 CA--C 1.534 1.255 0 C-N-CA 124.866 1.222 . . . . 10.0 113.848 -179.465 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 45' ' ' CYS . . . . . . . . . . . . . 63.8 m -55.83 112.15 1.1 Allowed 'General case' 0 CA--C 1.543 0.679 0 C-N-CA 125.995 1.718 . . . . 10.0 112.507 -176.782 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 49.6 m -131.83 -57.27 0.99 Allowed 'General case' 0 N--CA 1.474 0.75 0 C-N-CA 125.723 1.609 . . . . 10.0 111.713 -175.198 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 11.2 pt-20 -149.59 160.74 43.24 Favored 'General case' 0 CA--C 1.541 0.6 0 C-N-CA 125.943 1.697 . . . . 10.0 111.652 179.9 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -53.05 -27.45 19.84 Favored 'General case' 0 CA--C 1.547 0.829 0 C-N-CA 126.041 1.736 . . . . 10.0 115.358 -175.292 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 73.9 m-20 -62.43 -30.71 71.43 Favored 'General case' 0 CA--C 1.545 0.753 0 C-N-CA 124.65 1.18 . . . . 10.0 113.555 174.941 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . 61.7 t -68.47 117.57 10.9 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.884 0 C-N-CA 124.69 1.196 . . . . 10.0 109.692 173.792 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 44.8 p -97.55 176.64 5.78 Favored 'General case' 0 N--CA 1.478 0.948 0 C-N-CA 124.705 1.202 . . . . 10.0 112.354 179.428 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 39.8 ttpt -61.59 -56.09 23.73 Favored 'General case' 0 N--CA 1.473 0.677 0 C-N-CA 123.842 0.857 . . . . 10.0 112.177 172.132 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 12.6 pt-20 -54.16 -38.79 65.92 Favored 'General case' 0 N--CA 1.472 0.66 0 N-CA-C 112.747 0.647 . . . . 10.0 112.747 177.543 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 54' ' ' MET . . . . . . . . . . . . . 94.3 mtp -59.99 -58.21 9.54 Favored 'General case' 0 N--CA 1.469 0.494 0 C-N-CA 123.586 0.754 . . . . 10.0 111.527 169.564 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 9.4 tt -59.27 -53.89 53.11 Favored 'General case' 0 N--CA 1.467 0.385 0 C-N-CA 124.341 1.057 . . . . 10.0 112.768 -174.513 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 31.8 t -59.03 -47.46 89.88 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.851 0 C-N-CA 124.179 0.991 . . . . 10.0 111.019 -176.203 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 57' ' ' THR . . . . . . . . . . . . . 48.0 m -58.83 -50.3 74.48 Favored 'General case' 0 N--CA 1.477 0.884 0 C-N-CA 124.432 1.093 . . . . 10.0 111.873 173.939 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 50.5 m -60.44 -40.48 91.29 Favored 'General case' 0 N--CA 1.473 0.689 0 C-N-CA 124.106 0.962 . . . . 10.0 112.577 178.262 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 59' ' ' CYS . . . . . . . . . . . . . 42.2 t -58.92 -50.1 75.32 Favored 'General case' 0 CA--C 1.536 0.433 0 C-N-CA 125.999 1.72 . . . . 10.0 112.337 173.467 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 60' ' ' VAL . . . . . . . . . . . . . 45.6 t -54.29 -50.28 57.62 Favored 'Isoleucine or valine' 0 N--CA 1.479 1.002 0 C-N-CA 123.904 0.882 . . . . 10.0 111.302 171.657 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 61' ' ' ASN . . . . . . . . . . . . . 15.8 m-80 -57.94 -44.79 87.17 Favored 'General case' 0 CA--C 1.544 0.75 0 C-N-CA 124.59 1.156 . . . . 10.0 113.334 176.218 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -60.89 -48.65 80.85 Favored 'General case' 0 CA--C 1.539 0.554 0 C-N-CA 124.211 1.004 . . . . 10.0 111.056 174.116 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 63' ' ' THR . . . . . . . . . . . . . 32.4 m -53.67 -50.14 66.46 Favored 'General case' 0 N--CA 1.471 0.617 0 C-N-CA 125.571 1.548 . . . . 10.0 111.723 177.073 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 64' ' ' GLN . . . . . . . . . . . . . 42.1 mt-30 -47.35 -60.85 2.22 Favored 'General case' 0 N--CA 1.471 0.597 0 C-N-CA 125.432 1.493 . . . . 10.0 111.985 173.156 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -56.93 -42.86 80.8 Favored 'General case' 0 CA--C 1.544 0.713 0 C-N-CA 125.637 1.575 . . . . 10.0 113.227 179.462 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -67.16 -37.76 84.29 Favored 'General case' 0 CA--C 1.543 0.695 0 C-N-CA 125.221 1.409 . . . . 10.0 114.712 -178.131 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 67' ' ' ASN . . . . . . . . . . . . . 8.6 m-80 -122.05 41.14 3.46 Favored 'General case' 0 CA--C 1.548 0.87 0 C-N-CA 124.538 1.135 . . . . 10.0 112.68 -169.79 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 68' ' ' GLN . . . . . . . . . . . . . 60.3 mt-30 -54.24 -44.86 72.13 Favored 'General case' 0 N--CA 1.475 0.799 0 C-N-CA 125.461 1.504 . . . . 10.0 113.362 -178.684 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -56.88 -39.18 73.88 Favored 'General case' 0 CA--C 1.543 0.69 0 C-N-CA 124.969 1.308 . . . . 10.0 113.279 177.683 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 5.5 mm-40 -64.63 -58.69 5.64 Favored 'General case' 0 N--CA 1.469 0.504 0 C-N-CA 124.502 1.121 . . . . 10.0 110.425 173.984 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 71' ' ' PHE . . . . . . . . . . . . . 30.0 m-85 -61.31 -29.07 69.65 Favored 'General case' 0 N--CA 1.471 0.589 0 N-CA-C 114.718 1.377 . . . . 10.0 114.718 -177.54 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 66.3 m -63.93 -57.2 10.49 Favored 'General case' 0 N--CA 1.473 0.686 0 C-N-CA 123.94 0.896 . . . . 10.0 111.758 172.696 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 73' ' ' ARG . . . . . . . . . . . . . 13.2 mtp-105 -65.35 -53.26 46.18 Favored 'General case' 0 N--CA 1.475 0.814 0 C-N-CA 126.118 1.767 . . . . 10.0 112.712 -179.861 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 76.1 mm-40 -79.84 46.8 0.81 Allowed 'General case' 0 CA--C 1.546 0.805 0 C-N-CA 126.045 1.738 . . . . 10.0 112.766 -174.876 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 41.4 ttmt -155.31 -61.46 0.11 Allowed 'General case' 0 N--CA 1.471 0.61 0 C-N-CA 128.831 2.852 . . . . 10.0 110.526 -176.187 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 76' ' ' GLN . . . . . . . . . . . . . 81.8 mm-40 -56.37 -54.02 50.43 Favored 'General case' 0 CA--C 1.538 0.491 0 C-N-CA 125.574 1.55 . . . . 10.0 111.696 178.874 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 26.8 t70 -83.56 -57.55 3.19 Favored 'General case' 0 CA--C 1.543 0.688 0 C-N-CA 123.786 0.835 . . . . 10.0 111.4 171.373 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 16.3 m -80.82 86.22 6.03 Favored 'General case' 0 N--CA 1.472 0.634 0 C-N-CA 125.12 1.368 . . . . 10.0 112.998 -173.24 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 63.0 tttp -55.45 -63.64 1.1 Allowed 'General case' 0 N--CA 1.477 0.918 0 C-N-CA 126.049 1.74 . . . . 10.0 113.429 -178.194 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 48.0 tp -66.34 -31.01 71.54 Favored 'General case' 0 N--CA 1.474 0.73 0 C-N-CA 125.047 1.339 . . . . 10.0 113.611 -175.147 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 81' ' ' HIS . . . . . . . . . . . . . 7.4 t-160 -51.68 -45.07 63.31 Favored 'General case' 0 N--CA 1.472 0.645 0 C-N-CA 124.585 1.154 . . . . 10.0 112.886 -171.466 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 82' ' ' GLN . . . . . . . . . . . . . 75.9 mm-40 -45.73 -59.54 2.72 Favored 'General case' 0 N--CA 1.475 0.787 0 C-N-CA 125.414 1.486 . . . . 10.0 113.366 178.059 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 83' ' ' ARG . . . . . . . . . . . . . 11.0 tpt180 -46.0 -57.06 4.73 Favored 'General case' 0 N--CA 1.481 1.118 0 C-N-CA 125.886 1.674 . . . . 10.0 111.839 177.825 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 84' ' ' VAL . . . . . . . . . . . . . 5.7 t -61.96 -54.08 39.27 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.589 0 C-N-CA 125.559 1.544 . . . . 10.0 110.85 -178.22 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 85' ' ' LEU . . . . . . . . . . . . . 32.8 tp -56.46 -50.9 70.36 Favored 'General case' 0 CA--C 1.537 0.478 0 C-N-CA 126.202 1.801 . . . . 10.0 112.619 -179.354 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 86' ' ' TRP . . . . . . . . . . . . . 59.7 m95 -60.29 -43.37 96.34 Favored 'General case' 0 N--CA 1.468 0.472 0 N-CA-C 113.673 0.99 . . . . 10.0 113.673 176.329 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 87' ' ' ARG . . . . . . . . . . . . . 14.4 tpt180 -56.66 -49.95 73.53 Favored 'General case' 0 N--CA 1.471 0.624 0 CA-C-N 118.832 0.742 . . . . 10.0 111.072 172.425 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 88' ' ' LEU . . . . . . . . . . . . . 1.5 tt -54.65 -52.98 60.62 Favored 'General case' 0 CA--C 1.545 0.768 0 C-N-CA 124.515 1.126 . . . . 10.0 111.801 175.83 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 89' ' ' ILE . . . . . . . . . . . . . 74.4 mt -50.3 -52.06 16.19 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.73 0 C-N-CA 124.831 1.252 . . . . 10.0 111.062 174.065 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 96.9 mttt -59.47 -44.45 93.01 Favored 'General case' 0 N--CA 1.473 0.707 0 C-N-CA 124.401 1.081 . . . . 10.0 113.428 177.624 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 65.9 mm-40 -53.53 -51.57 62.44 Favored 'General case' 0 N--CA 1.474 0.746 0 CA-C-N 119.71 1.141 . . . . 10.0 111.765 170.887 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 92' ' ' ILE . . . . . . . . . . . . . 96.7 mt -57.65 -53.5 43.85 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.935 0 C-N-CA 124.269 1.028 . . . . 10.0 111.651 175.331 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 93' ' ' CYS . . . . . . . . . . . . . 62.8 m -56.37 -40.2 74.17 Favored 'General case' 0 CA--C 1.545 0.762 0 C-N-CA 124.707 1.203 . . . . 10.0 112.52 179.419 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 50.5 m -63.31 -45.63 90.43 Favored 'General case' 0 N--CA 1.476 0.842 0 C-N-CA 125.046 1.339 . . . . 10.0 112.7 171.477 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . -59.99 -39.58 86.23 Favored 'General case' 0 CA--C 1.545 0.759 0 C-N-CA 125.492 1.517 . . . . 10.0 114.225 -175.58 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 96' ' ' LYS . . . . . . . . . . . . . 1.1 ptpm? -72.99 49.8 0.25 Allowed 'General case' 0 N--CA 1.485 1.287 0 C-N-CA 125.739 1.615 . . . . 10.0 113.995 178.414 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 97' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -64.66 142.15 58.53 Favored 'General case' 0 N--CA 1.472 0.655 0 C-N-CA 127.127 2.171 . . . . 10.0 113.619 179.092 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 98' ' ' CYS . . . . . . . . . . . . . 33.1 m -79.48 137.82 37.35 Favored 'General case' 0 CA--C 1.539 0.539 0 C-N-CA 123.329 0.651 . . . . 10.0 112.29 177.816 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 99' ' ' ASP . . . . . . . . . . . . . 31.8 t70 -61.81 -39.48 91.91 Favored 'General case' 0 CA--C 1.544 0.712 0 C-N-CA 124.705 1.202 . . . . 10.0 112.877 176.645 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 100' ' ' PHE . . . . . . . . . . . . . 6.1 p90 -68.66 -13.67 62.52 Favored 'General case' 0 CA--C 1.544 0.714 0 N-CA-C 115.738 1.755 . . . . 10.0 115.738 -175.536 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 101' ' ' TRP . . . . . . . . . . . . . 42.7 m0 . . . . . 0 N--CA 1.474 0.764 0 CA-C-N 119.942 1.246 . . . . 10.0 112.692 -178.117 . . . . . . . . 0 0 . 1 . 004 nuclear build core ' A' A ' 5' ' ' ASN . . . . . . . . . . . . . 14.8 t-20 . . . . . 0 CA--C 1.546 0.798 0 CA-C-O 122.05 0.929 . . . . 10.0 110.566 . . . . . . . . . 0 0 . 1 . 004 nuclear build core ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 14.1 ptp180 -94.42 156.06 39.05 Favored Pre-proline 0 N--CA 1.476 0.836 0 C-N-CA 126.299 1.84 . . . . 10.0 111.577 173.258 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 7' ' ' PRO . . . . . . . . . . . . . 84.1 Cg_exo -48.18 118.72 3.38 Favored 'Trans proline' 0 CA--C 1.54 0.787 0 C-N-CA 123.603 2.868 . . . . 10.0 112.791 175.427 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . 116.78 -21.97 10.99 Favored Glycine 0 CA--C 1.536 1.395 0 C-N-CA 127.091 2.281 . . . . 10.0 114.247 -171.38 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -59.16 134.1 56.69 Favored 'General case' 0 CA--C 1.545 0.77 0 CA-C-N 119.698 1.749 . . . . 10.0 113.137 -170.786 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 10' ' ' PHE . . . . . . . . . . . . . 19.9 m-30 -60.17 149.09 33.93 Favored 'General case' 0 CA--C 1.541 0.607 0 O-C-N 121.409 -0.807 . . . . 10.0 112.89 174.835 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 66.5 mt -117.81 96.23 4.31 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.464 0 C-N-CA 125.973 1.709 . . . . 10.0 106.568 169.506 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 58.8 mtmt -94.58 79.86 3.82 Favored 'General case' 0 N--CA 1.474 0.744 0 C-N-CA 125.356 1.462 . . . . 10.0 110.896 -173.239 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 26.1 mt-30 -72.95 -29.92 63.46 Favored 'General case' 0 N--CA 1.472 0.653 0 C-N-CA 124.038 0.935 . . . . 10.0 111.247 169.861 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . 75.68 22.2 75.42 Favored Glycine 0 CA--C 1.535 1.301 0 C-N-CA 124.913 1.244 . . . . 10.0 113.694 -179.86 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 24.9 ttp180 -71.08 136.06 48.05 Favored 'General case' 0 N--CA 1.471 0.614 0 C-N-CA 126.571 1.949 . . . . 10.0 110.819 175.699 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 77.1 tttt -77.36 98.83 5.36 Favored 'General case' 0 N--CA 1.473 0.721 0 C-N-CA 124.896 1.279 . . . . 10.0 110.675 175.6 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 85.9 mt -74.24 176.91 6.21 Favored 'General case' 0 CA--C 1.546 0.8 0 C-N-CA 125.938 1.695 . . . . 10.0 112.529 179.047 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 18.9 t0 -127.17 95.01 4.16 Favored 'General case' 0 CA--C 1.541 0.63 0 C-N-CA 125.922 1.689 . . . . 10.0 110.507 175.729 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . 71.5 mt -135.13 130.2 51.3 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.742 0 C-N-CA 127.341 2.257 . . . . 10.0 108.061 -176.993 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 23.4 t0 -87.21 84.3 7.27 Favored 'General case' 0 CA--C 1.539 0.537 0 CA-C-O 121.962 0.887 . . . . 10.0 110.678 171.775 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 21' ' ' PHE . . . . . . . . . . . . . 87.1 m-85 -62.14 -42.45 99.26 Favored 'General case' 0 CA--C 1.54 0.596 0 C-N-CA 126.573 1.949 . . . . 10.0 111.74 171.696 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 127.87 163.2 11.31 Favored Glycine 0 CA--C 1.533 1.206 0 C-N-CA 127.635 2.54 . . . . 10.0 110.384 -169.604 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -43.29 -54.52 4.56 Favored 'General case' 0 CA--C 1.547 0.861 0 N-CA-C 115.434 1.642 . . . . 10.0 115.434 -169.853 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 52.1 mt-10 -61.16 -52.65 63.97 Favored 'General case' 0 N--CA 1.473 0.7 0 C-N-CA 124.786 1.234 . . . . 10.0 111.787 177.91 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -67.5 -37.69 90.1 Favored Glycine 0 CA--C 1.53 0.994 0 C-N-CA 124.836 1.207 . . . . 10.0 114.183 -175.984 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 88.0 m-20 -57.22 -52.74 64.1 Favored 'General case' 0 CA--C 1.535 0.372 0 C-N-CA 125.712 1.605 . . . . 10.0 110.072 173.844 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 94.9 mtt-85 -59.27 -46.79 87.57 Favored 'General case' 0 N--CA 1.474 0.76 0 C-N-CA 124.662 1.185 . . . . 10.0 111.888 176.423 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 28' ' ' TYR . . . . . . . . . . . . . 73.9 t80 -59.35 -55.62 32.44 Favored 'General case' 0 CA--C 1.535 0.391 0 C-N-CA 124.295 1.038 . . . . 10.0 112.182 177.985 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 29' ' ' TYR . . . . . . . . . . . . . 78.3 t80 -56.79 -50.85 71.09 Favored 'General case' 0 CA--C 1.535 0.394 0 C-N-CA 124.641 1.176 . . . . 10.0 112.285 178.198 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -50.51 -31.26 14.94 Favored 'General case' 0 CA--C 1.547 0.846 0 N-CA-C 114.072 1.138 . . . . 10.0 114.072 177.1 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -92.91 -23.55 18.73 Favored 'General case' 0 CA--C 1.553 1.059 0 C-N-CA 126.007 1.723 . . . . 10.0 115.04 176.815 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 32' ' ' ASN . . . . . . . . . . . . . 59.8 m-80 -126.65 7.89 6.91 Favored 'General case' 0 N--CA 1.477 0.909 0 N-CA-C 116.155 1.909 . . . . 10.0 116.155 -169.288 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 33' ' ' TYR . . . . . . . . . . . . . 55.2 p90 -46.18 -34.6 4.43 Favored 'General case' 0 N--CA 1.477 0.885 0 C-N-CA 127.236 2.214 . . . . 10.0 115.276 -177.32 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 34' ' ' TRP . . . . . . . . . . . . . 64.7 p-90 -50.65 -35.09 28.95 Favored 'General case' 0 CA--C 1.545 0.781 0 C-N-CA 126.349 1.86 . . . . 10.0 114.427 176.297 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 32.0 mt-30 -69.33 -40.13 77.77 Favored 'General case' 0 N--CA 1.474 0.76 0 C-N-CA 124.604 1.162 . . . . 10.0 113.665 178.222 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 36' ' ' PHE . . . . . . . . . . . . . 82.4 m-85 -69.21 155.4 93.62 Favored Pre-proline 0 CA--C 1.546 0.805 0 C-N-CA 126.592 1.957 . . . . 10.0 115.399 -169.053 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 70.8 Cg_endo -73.41 142.94 34.04 Favored 'Trans proline' 0 CA--C 1.539 0.772 0 C-N-CA 123.492 2.795 . . . . 10.0 110.855 169.574 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 6.3 t70 -94.6 -36.76 11.66 Favored 'General case' 0 CA--C 1.54 0.591 0 C-N-CA 125.394 1.478 . . . . 10.0 111.386 172.876 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . -134.8 176.76 19.76 Favored Glycine 0 CA--C 1.532 1.149 0 C-N-CA 125.78 1.657 . . . . 10.0 112.11 171.579 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 40' ' ' ILE . . . . . . . . . . . . . 97.1 mt -135.05 124.49 42.96 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.549 0 C-N-CA 125.248 1.419 . . . . 10.0 108.463 176.245 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 41' ' ' TYR . . . . . . . . . . . . . 64.9 t80 -72.25 88.41 1.15 Allowed 'General case' 0 CA--C 1.536 0.424 0 C-N-CA 125.079 1.352 . . . . 10.0 109.767 171.792 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 42' ' ' TYR . . . . . . . . . . . . . 88.5 t80 -149.12 131.04 15.21 Favored 'General case' 0 C--O 1.235 0.304 0 C-N-CA 125.017 1.327 . . . . 10.0 109.969 175.686 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 47.4 mt-10 -128.75 70.42 1.39 Allowed 'General case' 0 CA--C 1.539 0.533 0 C-N-CA 125.806 1.642 . . . . 10.0 109.776 -173.28 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . -63.16 -31.48 80.87 Favored Glycine 0 CA--C 1.536 1.378 0 C-N-CA 125.089 1.328 . . . . 10.0 114.499 -177.673 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 45' ' ' CYS . . . . . . . . . . . . . 83.1 m -55.54 109.23 0.52 Allowed 'General case' 0 CA--C 1.543 0.703 0 C-N-CA 126.133 1.773 . . . . 10.0 112.491 -178.967 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 51.0 m -125.81 -56.25 1.48 Allowed 'General case' 0 N--CA 1.474 0.747 0 C-N-CA 125.708 1.603 . . . . 10.0 111.96 -176.456 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 12.2 pt-20 -149.38 158.14 43.91 Favored 'General case' 0 N--CA 1.471 0.602 0 C-N-CA 125.923 1.689 . . . . 10.0 111.593 179.694 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -52.81 -27.87 20.05 Favored 'General case' 0 CA--C 1.545 0.785 0 N-CA-C 115.28 1.585 . . . . 10.0 115.28 -176.376 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 82.6 m-20 -65.15 -27.55 68.8 Favored 'General case' 0 CA--C 1.546 0.824 0 C-N-CA 124.761 1.225 . . . . 10.0 113.889 175.421 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . 60.7 t -65.82 115.48 3.98 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.913 0 C-N-CA 124.674 1.19 . . . . 10.0 109.262 172.168 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 53.8 p -88.12 173.05 9.06 Favored 'General case' 0 N--CA 1.477 0.886 0 C-N-CA 123.718 0.807 . . . . 10.0 112.02 178.929 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 82.2 tttt -62.41 -52.1 64.9 Favored 'General case' 0 N--CA 1.471 0.616 0 O-C-N 121.322 -0.861 . . . . 10.0 111.931 171.05 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 12.5 pt-20 -54.32 -40.01 67.56 Favored 'General case' 0 N--CA 1.473 0.701 0 N-CA-C 112.846 0.684 . . . . 10.0 112.846 176.178 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 54' ' ' MET . . . . . . . . . . . . . 92.8 mtp -58.19 -58.42 8.55 Favored 'General case' 0 N--CA 1.47 0.564 0 C-N-CA 123.575 0.75 . . . . 10.0 111.472 169.529 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 8.9 tt -59.39 -53.03 62.84 Favored 'General case' 0 CA--C 1.536 0.408 0 C-N-CA 124.461 1.105 . . . . 10.0 113.035 -174.382 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 88.0 t -57.0 -47.09 84.07 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.868 0 C-N-CA 125.375 1.47 . . . . 10.0 111.106 -178.58 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 57' ' ' THR . . . . . . . . . . . . . 45.0 m -62.81 -47.45 83.41 Favored 'General case' 0 N--CA 1.477 0.92 0 C-N-CA 124.287 1.035 . . . . 10.0 111.683 174.9 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 48.9 m -59.39 -37.55 78.26 Favored 'General case' 0 N--CA 1.471 0.611 0 C-N-CA 124.228 1.011 . . . . 10.0 112.578 176.784 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 59' ' ' CYS . . . . . . . . . . . . . 36.2 t -57.71 -50.2 74.0 Favored 'General case' 0 CA--C 1.536 0.407 0 C-N-CA 125.494 1.518 . . . . 10.0 112.663 172.689 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 60' ' ' VAL . . . . . . . . . . . . . 54.6 t -54.94 -49.82 67.56 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.071 0 CA-C-N 119.444 1.02 . . . . 10.0 111.355 172.663 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 61' ' ' ASN . . . . . . . . . . . . . 21.1 m-80 -58.1 -45.54 87.07 Favored 'General case' 0 CA--C 1.546 0.796 0 C-N-CA 124.514 1.126 . . . . 10.0 112.995 176.616 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -61.1 -48.43 81.71 Favored 'General case' 0 CA--C 1.538 0.502 0 C-N-CA 124.442 1.097 . . . . 10.0 111.241 174.881 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 63' ' ' THR . . . . . . . . . . . . . 29.7 m -54.23 -49.46 69.41 Favored 'General case' 0 N--CA 1.471 0.621 0 C-N-CA 125.416 1.486 . . . . 10.0 111.634 177.37 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 64' ' ' GLN . . . . . . . . . . . . . 81.2 mt-30 -50.69 -58.38 6.01 Favored 'General case' 0 CA--C 1.539 0.545 0 C-N-CA 125.056 1.342 . . . . 10.0 111.946 172.154 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -57.47 -39.76 77.07 Favored 'General case' 0 CA--C 1.546 0.805 0 C-N-CA 125.635 1.574 . . . . 10.0 114.126 179.973 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -74.28 -41.6 60.96 Favored 'General case' 0 CA--C 1.543 0.684 0 C-N-CA 125.039 1.336 . . . . 10.0 114.169 -179.333 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 67' ' ' ASN . . . . . . . . . . . . . 11.2 m-80 -114.19 38.31 3.07 Favored 'General case' 0 N--CA 1.474 0.765 0 C-N-CA 124.4 1.08 . . . . 10.0 112.272 -169.817 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 68' ' ' GLN . . . . . . . . . . . . . 91.2 mt-30 -50.99 -52.39 43.16 Favored 'General case' 0 N--CA 1.472 0.656 0 C-N-CA 125.561 1.544 . . . . 10.0 112.521 -177.747 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -54.65 -46.32 73.97 Favored 'General case' 0 CA--C 1.543 0.697 0 C-N-CA 124.964 1.306 . . . . 10.0 113.271 179.417 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 6.0 mm-40 -55.53 -52.56 63.28 Favored 'General case' 0 N--CA 1.473 0.693 0 C-N-CA 124.825 1.25 . . . . 10.0 111.3 177.41 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 71' ' ' PHE . . . . . . . . . . . . . 33.7 m-85 -61.05 -55.79 28.59 Favored 'General case' 0 CA--C 1.535 0.368 0 C-N-CA 123.924 0.89 . . . . 10.0 112.287 176.079 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 60.7 m -53.72 -49.04 68.97 Favored 'General case' 0 N--CA 1.473 0.707 0 C-N-CA 125.038 1.335 . . . . 10.0 113.599 -178.168 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 73' ' ' ARG . . . . . . . . . . . . . 22.9 mtm105 -55.77 -51.66 66.63 Favored 'General case' 0 N--CA 1.476 0.873 0 C-N-CA 124.197 0.999 . . . . 10.0 112.546 176.787 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 43.9 mm-40 -67.62 -63.64 1.02 Allowed 'General case' 0 CA--C 1.541 0.602 0 C-N-CA 124.287 1.035 . . . . 10.0 113.177 179.161 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 64.8 tttm -44.69 -37.28 3.6 Favored 'General case' 0 N--CA 1.48 1.038 0 C-N-CA 128.384 2.674 . . . . 10.0 115.76 -169.819 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 76' ' ' GLN . . . . . . . . . . . . . 18.8 mm100 -54.57 -27.55 39.69 Favored 'General case' 0 CA--C 1.547 0.845 0 C-N-CA 125.135 1.374 . . . . 10.0 114.395 176.608 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 31.4 t70 -136.72 -39.91 0.63 Allowed 'General case' 0 CA--C 1.547 0.849 0 C-N-CA 125.43 1.492 . . . . 10.0 113.849 -177.445 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 1.6 t -76.37 75.48 3.14 Favored 'General case' 0 CA--C 1.544 0.718 0 C-N-CA 127.732 2.413 . . . . 10.0 113.057 -170.994 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 41.1 ttmt -56.59 -65.79 0.55 Allowed 'General case' 0 N--CA 1.477 0.908 0 C-N-CA 126.41 1.884 . . . . 10.0 113.457 -173.053 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 43.5 tp -62.37 -40.41 96.36 Favored 'General case' 0 N--CA 1.47 0.554 0 C-N-CA 123.989 0.916 . . . . 10.0 112.493 -176.823 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 81' ' ' HIS . . . . . . . . . . . . . 14.2 t-160 -51.0 -49.28 60.74 Favored 'General case' 0 N--CA 1.471 0.6 0 C-N-CA 123.558 0.743 . . . . 10.0 112.395 -177.947 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 82' ' ' GLN . . . . . . . . . . . . . 92.8 mm-40 -50.43 -53.92 25.86 Favored 'General case' 0 N--CA 1.472 0.646 0 C-N-CA 124.169 0.988 . . . . 10.0 112.713 177.597 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 83' ' ' ARG . . . . . . . . . . . . . 74.7 mtp180 -49.48 -55.3 13.74 Favored 'General case' 0 N--CA 1.482 1.127 0 C-N-CA 125.021 1.329 . . . . 10.0 111.947 178.395 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 84' ' ' VAL . . . . . . . . . . . . . 17.0 t -62.04 -51.77 68.49 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.8 0 C-N-CA 126.022 1.729 . . . . 10.0 111.167 179.381 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 85' ' ' LEU . . . . . . . . . . . . . 49.0 tp -56.27 -50.56 71.02 Favored 'General case' 0 N--CA 1.467 0.423 0 C-N-CA 126.079 1.752 . . . . 10.0 112.649 179.86 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 86' ' ' TRP . . . . . . . . . . . . . 72.5 m95 -60.82 -42.2 97.2 Favored 'General case' 0 N--CA 1.469 0.487 0 N-CA-C 113.489 0.922 . . . . 10.0 113.489 176.078 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 87' ' ' ARG . . . . . . . . . . . . . 14.2 tpt180 -56.42 -49.15 75.37 Favored 'General case' 0 N--CA 1.473 0.723 0 CA-C-N 118.712 0.687 . . . . 10.0 111.569 169.953 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 88' ' ' LEU . . . . . . . . . . . . . 1.4 tt -57.45 -50.93 71.43 Favored 'General case' 0 CA--C 1.546 0.801 0 C-N-CA 124.165 0.986 . . . . 10.0 111.99 176.405 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 89' ' ' ILE . . . . . . . . . . . . . 83.6 mt -50.4 -49.05 24.95 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.796 0 C-N-CA 124.539 1.136 . . . . 10.0 110.843 172.45 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 56.2 tttp -59.21 -46.96 87.05 Favored 'General case' 0 N--CA 1.472 0.642 0 C-N-CA 124.332 1.053 . . . . 10.0 113.118 175.345 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 79.7 mm-40 -53.47 -45.95 69.75 Favored 'General case' 0 N--CA 1.476 0.868 0 CA-C-N 119.865 1.211 . . . . 10.0 112.278 172.313 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 92' ' ' ILE . . . . . . . . . . . . . 96.3 mt -61.29 -57.3 12.75 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.838 0 C-N-CA 123.954 0.901 . . . . 10.0 111.137 173.375 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 93' ' ' CYS . . . . . . . . . . . . . 75.7 m -57.25 -48.92 77.63 Favored 'General case' 0 CA--C 1.542 0.651 0 C-N-CA 124.127 0.971 . . . . 10.0 112.647 -177.257 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 80.4 p -60.53 -26.69 67.07 Favored 'General case' 0 N--CA 1.477 0.914 0 N-CA-C 114.719 1.377 . . . . 10.0 114.719 178.175 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . -69.46 -28.34 66.01 Favored 'General case' 0 CA--C 1.548 0.874 0 N-CA-C 113.776 1.028 . . . . 10.0 113.776 172.918 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 96' ' ' LYS . . . . . . . . . . . . . 36.7 mttm -62.84 119.06 8.64 Favored 'General case' 0 N--CA 1.477 0.88 0 C-N-CA 124.964 1.306 . . . . 10.0 112.245 -175.509 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 97' ' ' HIS . . . . . 0.412 ' HA ' ' CZ3' ' A' ' 101' ' ' TRP . 0.2 OUTLIER -130.73 140.74 50.35 Favored 'General case' 0 CA--C 1.537 0.452 0 C-N-CA 126.128 1.771 . . . . 10.0 114.032 -176.718 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 98' ' ' CYS . . . . . . . . . . . . . 40.8 m -97.5 134.66 40.43 Favored 'General case' 0 CA--C 1.537 0.455 0 C-N-CA 123.974 0.909 . . . . 10.0 112.115 179.559 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 99' ' ' ASP . . . . . . . . . . . . . 32.1 t70 -58.2 -38.87 77.58 Favored 'General case' 0 CA--C 1.543 0.679 0 C-N-CA 124.821 1.248 . . . . 10.0 112.946 177.209 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 100' ' ' PHE . . . . . . . . . . . . . 4.2 p90 -69.11 -14.22 62.88 Favored 'General case' 0 CA--C 1.545 0.767 0 N-CA-C 115.562 1.689 . . . . 10.0 115.562 -178.102 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 101' ' ' TRP . . . . . 0.412 ' CZ3' ' HA ' ' A' ' 97' ' ' HIS . 29.1 m0 . . . . . 0 N--CA 1.473 0.717 0 CA-C-N 120.007 1.276 . . . . 10.0 113.834 -175.23 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 5' ' ' ASN . . . . . . . . . . . . . 12.5 t-20 . . . . . 0 CA--C 1.546 0.799 0 CA-C-O 122.418 1.104 . . . . 10.0 109.905 . . . . . . . . . 0 0 . 1 . 005 nuclear build core ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 28.9 ptt-85 -72.58 148.26 90.14 Favored Pre-proline 0 N--CA 1.473 0.699 0 C-N-CA 126.559 1.944 . . . . 10.0 112.52 179.143 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 7' ' ' PRO . . . . . . . . . . . . . 50.2 Cg_exo -51.44 117.52 3.54 Favored 'Trans proline' 0 CA--C 1.54 0.819 0 C-N-CA 123.551 2.834 . . . . 10.0 112.285 173.885 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . 109.8 -13.83 32.11 Favored Glycine 0 CA--C 1.537 1.427 0 C-N-CA 126.305 1.907 . . . . 10.0 114.357 -172.659 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -60.13 132.04 52.71 Favored 'General case' 0 CA--C 1.546 0.796 0 CA-C-N 119.681 1.741 . . . . 10.0 112.899 -174.428 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 10' ' ' PHE . . . . . . . . . . . . . 21.6 m-85 -61.31 148.77 40.15 Favored 'General case' 0 CA--C 1.54 0.581 0 C-N-CA 123.441 0.696 . . . . 10.0 112.308 172.052 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 66.6 mt -119.78 96.52 4.38 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.421 0 C-N-CA 125.876 1.671 . . . . 10.0 106.537 169.636 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 84.3 mttt -91.28 90.34 7.7 Favored 'General case' 0 N--CA 1.474 0.766 0 C-N-CA 125.244 1.418 . . . . 10.0 110.34 -176.881 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 26.4 mt-30 -80.33 -23.26 40.72 Favored 'General case' 0 CA--C 1.542 0.635 0 C-N-CA 123.953 0.901 . . . . 10.0 112.139 173.989 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . 75.5 58.49 3.85 Favored Glycine 0 CA--C 1.531 1.087 0 C-N-CA 124.826 1.203 . . . . 10.0 112.133 178.147 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 32.6 ttp180 -132.42 131.7 42.04 Favored 'General case' 0 N--CA 1.47 0.555 0 C-N-CA 126.735 2.014 . . . . 10.0 110.797 -171.184 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 34.6 ttmt -77.48 101.59 6.51 Favored 'General case' 0 N--CA 1.473 0.721 0 C-N-CA 124.478 1.111 . . . . 10.0 110.542 177.732 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 73.5 mt -72.29 177.45 4.51 Favored 'General case' 0 CA--C 1.547 0.831 0 C-N-CA 126.006 1.722 . . . . 10.0 112.44 175.242 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 19.7 t0 -123.7 93.72 4.02 Favored 'General case' 0 CA--C 1.543 0.682 0 C-N-CA 125.686 1.594 . . . . 10.0 110.773 176.483 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . 67.4 mt -136.14 135.39 50.08 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.737 0 C-N-CA 127.623 2.369 . . . . 10.0 108.608 -178.678 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 26.1 t70 -87.16 103.89 15.84 Favored 'General case' 0 CA--C 1.538 0.49 0 CA-C-O 121.867 0.841 . . . . 10.0 109.739 169.548 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 21' ' ' PHE . . . . . . . . . . . . . 71.8 m-85 -83.79 -37.11 23.0 Favored 'General case' 0 CA--C 1.54 0.595 0 C-N-CA 127.243 2.217 . . . . 10.0 111.495 171.137 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 127.54 158.02 9.62 Favored Glycine 0 CA--C 1.534 1.237 0 C-N-CA 127.777 2.608 . . . . 10.0 110.209 -169.645 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -42.24 -56.69 2.82 Favored 'General case' 0 CA--C 1.548 0.877 0 N-CA-C 115.49 1.663 . . . . 10.0 115.49 -169.713 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 31.2 mm-40 -63.22 -48.25 79.09 Favored 'General case' 0 N--CA 1.474 0.725 0 C-N-CA 124.208 1.003 . . . . 10.0 112.038 178.466 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -63.51 -39.41 97.63 Favored Glycine 0 CA--C 1.533 1.182 0 C-N-CA 124.972 1.272 . . . . 10.0 114.161 179.772 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 89.9 m-20 -57.68 -51.99 67.28 Favored 'General case' 0 CA--C 1.536 0.408 0 C-N-CA 126.161 1.784 . . . . 10.0 110.145 174.702 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 97.5 mtt180 -59.13 -46.28 88.75 Favored 'General case' 0 N--CA 1.474 0.772 0 C-N-CA 124.588 1.155 . . . . 10.0 111.913 174.896 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 28' ' ' TYR . . . . . . . . . . . . . 83.5 t80 -59.54 -53.4 58.48 Favored 'General case' 0 CA--C 1.536 0.406 0 C-N-CA 124.269 1.027 . . . . 10.0 111.949 179.232 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 29' ' ' TYR . . . . . . . . . . . . . 83.5 t80 -56.65 -52.39 65.06 Favored 'General case' 0 CA--C 1.536 0.416 0 C-N-CA 124.6 1.16 . . . . 10.0 112.404 175.645 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -51.06 -35.87 36.92 Favored 'General case' 0 CA--C 1.546 0.796 0 N-CA-C 113.603 0.964 . . . . 10.0 113.603 178.751 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -85.73 -28.42 24.63 Favored 'General case' 0 CA--C 1.55 0.981 0 N-CA-C 115.099 1.518 . . . . 10.0 115.099 176.098 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 32' ' ' ASN . . . . . . . . . . . . . 55.3 m-80 -124.25 11.76 8.79 Favored 'General case' 0 CA--C 1.548 0.881 0 N-CA-C 116.654 2.094 . . . . 10.0 116.654 -169.091 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 33' ' ' TYR . . . . . . . . . . . . . 52.1 p90 -50.15 -28.02 6.72 Favored 'General case' 0 N--CA 1.478 0.971 0 C-N-CA 126.007 1.723 . . . . 10.0 115.207 -177.751 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 34' ' ' TRP . . . . . . . . . . . . . 65.6 p-90 -51.32 -34.67 34.55 Favored 'General case' 0 CA--C 1.546 0.805 0 C-N-CA 125.83 1.652 . . . . 10.0 114.187 173.634 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 32.1 mt-30 -67.4 -41.71 84.48 Favored 'General case' 0 N--CA 1.474 0.734 0 C-N-CA 124.716 1.206 . . . . 10.0 113.197 176.45 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 36' ' ' PHE . . . . . . . . . . . . . 68.6 m-85 -74.24 159.06 84.66 Favored Pre-proline 0 CA--C 1.546 0.799 0 C-N-CA 127.542 2.337 . . . . 10.0 113.629 -169.69 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 62.2 Cg_endo -71.89 163.89 37.41 Favored 'Trans proline' 0 CA--C 1.541 0.859 0 C-N-CA 123.062 2.508 . . . . 10.0 110.841 169.246 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 7.3 t70 -113.47 -37.69 4.57 Favored 'General case' 0 N--CA 1.473 0.698 0 C-N-CA 125.094 1.358 . . . . 10.0 110.396 169.911 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . -129.14 173.11 19.56 Favored Glycine 0 CA--C 1.535 1.286 0 C-N-CA 126.228 1.871 . . . . 10.0 111.384 169.445 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 40' ' ' ILE . . . . . . . . . . . . . 97.0 mt -136.56 125.63 37.24 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.692 0 C-N-CA 125.193 1.397 . . . . 10.0 108.463 175.382 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 41' ' ' TYR . . . . . . . . . . . . . 90.3 t80 -73.51 116.91 14.63 Favored 'General case' 0 CA--C 1.536 0.41 0 C-N-CA 123.388 0.675 . . . . 10.0 109.486 169.782 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 42' ' ' TYR . . . . . . . . . . . . . 48.8 t80 -154.54 109.21 3.03 Favored 'General case' 0 CA--C 1.533 0.305 0 CA-C-O 122.169 0.985 . . . . 10.0 110.732 173.27 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 4.8 pt-20 -81.12 59.98 4.09 Favored 'General case' 0 CA--C 1.548 0.884 0 C-N-CA 126.981 2.112 . . . . 10.0 111.874 178.271 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . -71.35 -42.98 55.71 Favored Glycine 0 CA--C 1.534 1.269 0 C-N-CA 125.298 1.428 . . . . 10.0 113.931 -179.787 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 45' ' ' CYS . . . . . . . . . . . . . 78.0 m -62.47 128.21 34.94 Favored 'General case' 0 CA--C 1.544 0.728 0 C-N-CA 125.442 1.497 . . . . 10.0 112.94 -179.287 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 63.9 p -139.31 -58.4 0.59 Allowed 'General case' 0 N--CA 1.473 0.695 0 C-N-CA 125.88 1.672 . . . . 10.0 112.01 173.689 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 12.0 pt-20 -146.56 160.72 41.78 Favored 'General case' 0 CA--C 1.542 0.666 0 C-N-CA 126.33 1.852 . . . . 10.0 112.604 178.976 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -54.58 -23.5 17.13 Favored 'General case' 0 CA--C 1.545 0.786 0 N-CA-C 115.932 1.827 . . . . 10.0 115.932 -174.694 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 72.5 m-20 -61.42 -29.04 69.69 Favored 'General case' 0 CA--C 1.548 0.869 0 C-N-CA 124.164 0.985 . . . . 10.0 113.42 172.204 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . 94.3 t -67.03 113.1 2.77 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.911 0 C-N-CA 124.667 1.187 . . . . 10.0 109.61 169.976 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 41.4 p -84.92 169.66 13.85 Favored 'General case' 0 N--CA 1.475 0.793 0 C-N-CA 123.504 0.721 . . . . 10.0 111.618 176.801 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 78.1 tttt -62.04 -43.52 98.66 Favored 'General case' 0 N--CA 1.472 0.642 0 O-C-N 121.221 -0.924 . . . . 10.0 111.981 170.046 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 27.6 mm-40 -54.25 -48.43 71.16 Favored 'General case' 0 N--CA 1.472 0.669 0 C-N-CA 123.903 0.881 . . . . 10.0 111.838 174.426 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 54' ' ' MET . . . . . . . . . . . . . 93.4 mtp -54.69 -57.14 12.65 Favored 'General case' 0 N--CA 1.47 0.534 0 C-N-CA 124.361 1.065 . . . . 10.0 111.799 171.251 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 3.4 tt -55.73 -59.82 4.32 Favored 'General case' 0 CA--C 1.54 0.56 0 C-N-CA 124.995 1.318 . . . . 10.0 112.129 -177.549 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 60.2 t -57.43 -46.5 85.69 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.811 0 C-N-CA 124.69 1.196 . . . . 10.0 111.666 -176.263 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 57' ' ' THR . . . . . . . . . . . . . 37.1 m -63.5 -51.57 64.96 Favored 'General case' 0 N--CA 1.477 0.881 0 C-N-CA 123.816 0.847 . . . . 10.0 111.901 177.109 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 93.2 p -62.01 -33.25 74.0 Favored 'General case' 0 N--CA 1.471 0.615 0 O-C-N 121.388 -0.82 . . . . 10.0 113.028 177.659 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 59' ' ' CYS . . . . . . . . . . . . . 44.4 t -58.22 -51.05 71.37 Favored 'General case' 0 CA--C 1.539 0.522 0 C-N-CA 125.982 1.713 . . . . 10.0 112.557 169.971 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 60' ' ' VAL . . . . . . . . . . . . . 48.2 t -56.3 -43.69 77.61 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.055 0 C-N-CA 124.086 0.954 . . . . 10.0 111.893 173.446 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 61' ' ' ASN . . . . . . . . . . . . . 21.8 m-80 -64.24 -45.26 88.93 Favored 'General case' 0 CA--C 1.544 0.728 0 C-N-CA 124.245 1.018 . . . . 10.0 113.046 174.827 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -60.58 -45.99 91.91 Favored 'General case' 0 CA--C 1.536 0.408 0 C-N-CA 124.53 1.132 . . . . 10.0 111.267 175.8 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 63' ' ' THR . . . . . . . . . . . . . 30.1 m -55.29 -48.74 73.64 Favored 'General case' 0 N--CA 1.471 0.59 0 C-N-CA 124.909 1.283 . . . . 10.0 111.469 177.334 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 64' ' ' GLN . . . . . . . . . . . . . 45.6 mt-30 -50.65 -61.7 2.04 Favored 'General case' 0 N--CA 1.47 0.559 0 C-N-CA 124.283 1.033 . . . . 10.0 111.7 171.453 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -53.87 -44.65 70.6 Favored 'General case' 0 CA--C 1.545 0.781 0 C-N-CA 125.704 1.602 . . . . 10.0 113.741 -178.667 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -67.63 -34.5 77.08 Favored 'General case' 0 CA--C 1.541 0.608 0 C-N-CA 125.082 1.353 . . . . 10.0 114.383 179.615 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 67' ' ' ASN . . . . . . . . . . . . . 10.5 m-80 -124.91 39.61 3.94 Favored 'General case' 0 CA--C 1.545 0.784 0 C-N-CA 124.026 0.93 . . . . 10.0 112.562 -170.042 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 68' ' ' GLN . . . . . . . . . . . . . 22.0 mm-40 -54.66 -47.46 73.55 Favored 'General case' 0 N--CA 1.475 0.791 0 C-N-CA 124.627 1.171 . . . . 10.0 112.972 -176.416 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -53.83 -48.71 69.66 Favored 'General case' 0 CA--C 1.544 0.732 0 C-N-CA 125.025 1.33 . . . . 10.0 113.015 179.104 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 7.9 mm-40 -54.01 -56.14 20.7 Favored 'General case' 0 N--CA 1.473 0.706 0 C-N-CA 125.215 1.406 . . . . 10.0 111.408 177.766 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 71' ' ' PHE . . . . . . . . . . . . . 37.4 m-85 -59.91 -53.31 59.43 Favored 'General case' 0 CA--C 1.536 0.405 0 C-N-CA 124.019 0.928 . . . . 10.0 112.19 176.954 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 46.5 t -50.05 -56.74 9.6 Favored 'General case' 0 N--CA 1.47 0.551 0 C-N-CA 126.366 1.866 . . . . 10.0 112.837 -178.415 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 73' ' ' ARG . . . . . . . . . . . . . 90.2 mmt-85 -60.3 -50.01 75.32 Favored 'General case' 0 N--CA 1.475 0.801 0 C-N-CA 124.905 1.282 . . . . 10.0 112.621 -179.767 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 44.1 mm-40 -62.61 -58.57 7.06 Favored 'General case' 0 CA--C 1.539 0.549 0 C-N-CA 124.269 1.028 . . . . 10.0 112.856 -179.491 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 87.4 tttt -44.78 -34.18 2.19 Favored 'General case' 0 N--CA 1.481 1.116 0 C-N-CA 127.896 2.478 . . . . 10.0 115.674 -171.387 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 76' ' ' GLN . . . . . . . . . . . . . 66.6 mm-40 -52.87 -43.4 66.07 Favored 'General case' 0 N--CA 1.472 0.66 0 C-N-CA 124.751 1.22 . . . . 10.0 112.967 178.043 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 32.5 t70 -127.6 -38.37 1.91 Allowed 'General case' 0 N--CA 1.473 0.722 0 C-N-CA 125.902 1.681 . . . . 10.0 113.168 -172.164 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -75.73 61.09 1.35 Allowed 'General case' 0 CA--C 1.543 0.676 0 C-N-CA 127.929 2.492 . . . . 10.0 111.809 -178.314 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 2.1 tppt? -60.42 -52.56 64.69 Favored 'General case' 0 N--CA 1.472 0.674 0 C-N-CA 126.259 1.824 . . . . 10.0 113.384 -169.682 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 56.0 tp -60.51 -44.96 95.45 Favored 'General case' 0 N--CA 1.47 0.537 0 C-N-CA 124.866 1.266 . . . . 10.0 111.941 175.082 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 81' ' ' HIS . . . . . . . . . . . . . 16.6 t-160 -48.52 -49.22 36.99 Favored 'General case' 0 N--CA 1.472 0.637 0 C-N-CA 124.409 1.083 . . . . 10.0 111.993 -177.235 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 82' ' ' GLN . . . . . . . . . . . . . 98.3 mm-40 -50.62 -52.71 36.96 Favored 'General case' 0 N--CA 1.471 0.599 0 C-N-CA 123.856 0.862 . . . . 10.0 112.852 177.106 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 83' ' ' ARG . . . . . . . . . . . . . 9.2 mpt_? -55.48 -52.76 62.56 Favored 'General case' 0 N--CA 1.48 1.043 0 C-N-CA 124.383 1.073 . . . . 10.0 111.314 -178.96 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 84' ' ' VAL . . . . . . . . . . . . . 21.8 t -57.94 -54.28 34.11 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.729 0 C-N-CA 125.828 1.651 . . . . 10.0 110.94 176.99 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 85' ' ' LEU . . . . . . . . . . . . . 45.0 tp -56.68 -47.82 78.98 Favored 'General case' 0 CA--C 1.538 0.491 0 C-N-CA 126.254 1.822 . . . . 10.0 112.664 -179.736 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 86' ' ' TRP . . . . . . . . . . . . . 70.4 m95 -64.05 -42.48 97.02 Favored 'General case' 0 N--CA 1.469 0.475 0 N-CA-C 113.989 1.107 . . . . 10.0 113.989 176.316 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 87' ' ' ARG . . . . . . . . . . . . . 24.0 tpt180 -54.9 -50.37 68.93 Favored 'General case' 0 N--CA 1.477 0.921 0 C-N-CA 123.666 0.786 . . . . 10.0 111.144 170.705 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 88' ' ' LEU . . . . . . . . . . . . . 54.9 tp -56.23 -55.26 35.44 Favored 'General case' 0 CA--C 1.54 0.59 0 C-N-CA 124.318 1.047 . . . . 10.0 112.761 173.172 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 89' ' ' ILE . . . . . . . . . . . . . 68.9 mt -50.98 -48.91 28.82 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.808 0 C-N-CA 124.518 1.127 . . . . 10.0 111.015 177.422 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 58.3 tttp -60.2 -46.87 88.24 Favored 'General case' 0 N--CA 1.469 0.51 0 CA-C-O 118.191 -0.909 . . . . 10.0 112.782 176.295 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 31.6 mm-40 -56.59 -45.08 81.6 Favored 'General case' 0 CA--C 1.544 0.716 0 CA-C-N 119.795 1.179 . . . . 10.0 112.635 172.773 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 92' ' ' ILE . . . . . . . . . . . . . 96.1 mt -58.01 -55.56 21.17 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.776 0 C-N-CA 124.209 1.003 . . . . 10.0 110.93 172.736 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 93' ' ' CYS . . . . . . . . . . . . . 66.2 m -55.21 -44.78 75.7 Favored 'General case' 0 CA--C 1.544 0.712 0 C-N-CA 123.793 0.837 . . . . 10.0 111.957 177.914 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 49.7 m -58.73 -24.99 62.5 Favored 'General case' 0 N--CA 1.476 0.874 0 C-N-CA 125.541 1.536 . . . . 10.0 114.7 175.391 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . -73.06 -21.79 60.72 Favored 'General case' 0 CA--C 1.548 0.873 0 N-CA-C 114.206 1.187 . . . . 10.0 114.206 178.083 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 96' ' ' LYS . . . . . . . . . . . . . 3.6 mptp? -60.24 131.89 52.22 Favored 'General case' 0 N--CA 1.479 0.99 0 C-N-CA 125.087 1.355 . . . . 10.0 111.377 -179.198 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 97' ' ' HIS . . . . . 0.438 ' HA ' ' CZ3' ' A' ' 101' ' ' TRP . 13.2 t-80 -141.7 116.35 9.7 Favored 'General case' 0 N--CA 1.471 0.62 0 C-N-CA 125.67 1.588 . . . . 10.0 110.773 176.019 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 98' ' ' CYS . . . . . . . . . . . . . 57.4 m -70.16 149.69 47.29 Favored 'General case' 0 CA--C 1.538 0.498 0 C-N-CA 123.283 0.633 . . . . 10.0 111.86 176.761 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 99' ' ' ASP . . . . . . . . . . . . . 32.7 t70 -64.8 -42.8 94.73 Favored 'General case' 0 CA--C 1.542 0.656 0 C-N-CA 124.349 1.059 . . . . 10.0 112.427 176.988 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 100' ' ' PHE . . . . . . . . . . . . . 9.0 p90 -70.81 -16.83 62.76 Favored 'General case' 0 CA--C 1.544 0.712 0 N-CA-C 115.402 1.631 . . . . 10.0 115.402 -176.349 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 101' ' ' TRP . . . . . 0.438 ' CZ3' ' HA ' ' A' ' 97' ' ' HIS . 36.7 m0 . . . . . 0 N--CA 1.474 0.741 0 CA-C-N 119.918 1.235 . . . . 10.0 112.554 179.301 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 5' ' ' ASN . . . . . . . . . . . . . 32.3 m120 . . . . . 0 CA--C 1.546 0.823 0 CA-C-O 121.545 0.688 . . . . 10.0 111.523 . . . . . . . . . 0 0 . 1 . 006 nuclear build core ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 7.9 ptm180 -83.17 156.82 66.42 Favored Pre-proline 0 N--CA 1.475 0.804 0 C-N-CA 125.122 1.369 . . . . 10.0 111.928 170.824 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 7' ' ' PRO . . . . . . . . . . . . . 71.2 Cg_exo -48.58 120.88 5.66 Favored 'Trans proline' 0 CA--C 1.54 0.816 0 C-N-CA 123.548 2.832 . . . . 10.0 112.406 171.32 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . 110.74 -15.08 29.29 Favored Glycine 0 CA--C 1.538 1.486 0 C-N-CA 126.579 2.038 . . . . 10.0 114.335 -172.798 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -61.86 131.89 51.27 Favored 'General case' 0 CA--C 1.545 0.751 0 CA-C-N 119.565 1.683 . . . . 10.0 112.38 -175.482 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 10' ' ' PHE . . . . . . . . . . . . . 23.7 m-85 -62.45 149.99 41.17 Favored 'General case' 0 CA--C 1.54 0.582 0 O-C-N 121.636 -0.665 . . . . 10.0 112.597 174.28 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 75.7 mt -118.75 96.86 4.71 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.465 0 N-CA-C 106.28 -1.748 . . . . 10.0 106.28 169.423 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 85.4 mttt -93.39 91.69 7.29 Favored 'General case' 0 N--CA 1.472 0.635 0 C-N-CA 125.024 1.329 . . . . 10.0 110.208 -176.357 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 22.0 mt-30 -77.4 -21.22 53.48 Favored 'General case' 0 CA--C 1.54 0.572 0 C-N-CA 124.253 1.021 . . . . 10.0 111.883 172.099 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . 65.4 54.55 25.9 Favored Glycine 0 CA--C 1.531 1.058 0 C-N-CA 124.719 1.152 . . . . 10.0 111.083 -176.595 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 4.7 tmm_? -133.01 129.73 38.51 Favored 'General case' 0 N--CA 1.47 0.539 0 C-N-CA 126.86 2.064 . . . . 10.0 110.18 -169.525 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 46.2 tttm -74.76 111.17 9.69 Favored 'General case' 0 N--CA 1.472 0.661 0 C-N-CA 124.081 0.953 . . . . 10.0 111.486 -178.461 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 85.4 mt -74.06 177.54 5.63 Favored 'General case' 0 CA--C 1.547 0.857 0 C-N-CA 126.272 1.829 . . . . 10.0 112.245 170.844 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 20.3 t0 -124.61 92.39 3.64 Favored 'General case' 0 CA--C 1.542 0.639 0 C-N-CA 125.638 1.575 . . . . 10.0 110.371 173.648 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . 73.1 mt -132.83 128.87 57.58 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.709 0 C-N-CA 127.5 2.32 . . . . 10.0 107.785 -179.034 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 24.0 t0 -86.83 85.27 7.26 Favored 'General case' 0 CA--C 1.539 0.552 0 CA-C-O 121.947 0.879 . . . . 10.0 110.652 172.593 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 21' ' ' PHE . . . . . . . . . . . . . 77.6 m-85 -62.53 -41.54 98.94 Favored 'General case' 0 CA--C 1.54 0.586 0 C-N-CA 126.59 1.956 . . . . 10.0 111.684 171.028 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 131.49 155.22 8.04 Favored Glycine 0 CA--C 1.532 1.116 0 C-N-CA 128.15 2.786 . . . . 10.0 109.666 -169.726 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -41.46 -57.71 2.12 Favored 'General case' 0 CA--C 1.548 0.869 0 N-CA-C 115.333 1.605 . . . . 10.0 115.333 -169.665 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 37.0 tt0 -63.52 -43.98 95.59 Favored 'General case' 0 CA--C 1.544 0.714 0 C-N-CA 124.405 1.082 . . . . 10.0 112.682 179.057 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -65.66 -41.64 95.84 Favored Glycine 0 CA--C 1.534 1.265 0 C-N-CA 124.916 1.246 . . . . 10.0 113.991 177.8 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 82.0 m-20 -55.99 -49.25 74.14 Favored 'General case' 0 CA--C 1.537 0.457 0 C-N-CA 126.245 1.818 . . . . 10.0 110.445 173.658 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 98.6 mtt180 -60.66 -46.66 89.47 Favored 'General case' 0 N--CA 1.475 0.792 0 C-N-CA 125.102 1.361 . . . . 10.0 111.347 176.431 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 28' ' ' TYR . . . . . . . . . . . . . 75.9 t80 -58.43 -53.09 62.28 Favored 'General case' 0 CA--C 1.534 0.362 0 C-N-CA 123.969 0.908 . . . . 10.0 111.985 177.403 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 29' ' ' TYR . . . . . . . . . . . . . 74.9 t80 -56.02 -54.11 48.9 Favored 'General case' 0 CA--C 1.535 0.402 0 C-N-CA 124.534 1.133 . . . . 10.0 112.394 176.45 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -50.27 -37.17 34.61 Favored 'General case' 0 CA--C 1.547 0.827 0 N-CA-C 113.81 1.041 . . . . 10.0 113.81 177.122 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -82.95 -21.24 34.11 Favored 'General case' 0 CA--C 1.552 1.034 0 N-CA-C 115.262 1.579 . . . . 10.0 115.262 176.491 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 32' ' ' ASN . . . . . . . . . . . . . 61.0 m-80 -131.32 7.61 4.59 Favored 'General case' 0 CA--C 1.547 0.865 0 N-CA-C 116.888 2.181 . . . . 10.0 116.888 -169.145 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 33' ' ' TYR . . . . . . . . . . . . . 39.9 p90 -51.86 -25.99 9.09 Favored 'General case' 0 N--CA 1.479 0.984 0 N-CA-C 115.533 1.679 . . . . 10.0 115.533 -174.668 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 34' ' ' TRP . . . . . . . . . . . . . 65.8 p-90 -52.42 -34.57 49.03 Favored 'General case' 0 CA--C 1.546 0.825 0 C-N-CA 125.669 1.587 . . . . 10.0 114.116 172.094 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 31.1 mt-30 -69.89 -37.82 76.13 Favored 'General case' 0 N--CA 1.475 0.781 0 C-N-CA 124.57 1.148 . . . . 10.0 113.343 176.51 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 36' ' ' PHE . . . . . . . . . . . . . 65.2 m-85 -75.81 157.66 83.58 Favored Pre-proline 0 CA--C 1.546 0.802 0 C-N-CA 126.98 2.112 . . . . 10.0 114.202 -169.579 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 61.6 Cg_endo -73.7 150.01 44.23 Favored 'Trans proline' 0 CA--C 1.54 0.786 0 C-N-CA 123.272 2.648 . . . . 10.0 110.701 169.355 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 26.9 t70 -104.54 -33.9 8.39 Favored 'General case' 0 N--CA 1.472 0.661 0 C-N-CA 124.854 1.262 . . . . 10.0 111.248 172.11 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . -132.51 172.85 21.07 Favored Glycine 0 CA--C 1.536 1.35 0 C-N-CA 126.835 2.159 . . . . 10.0 111.218 169.387 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 40' ' ' ILE . . . . . . . . . . . . . 89.1 mt -136.52 124.04 33.2 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.779 0 C-N-CA 124.701 1.2 . . . . 10.0 108.764 174.496 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 41' ' ' TYR . . . . . . . . . . . . . 60.7 t80 -72.18 98.89 2.23 Favored 'General case' 0 CA--C 1.536 0.428 0 C-N-CA 124.35 1.06 . . . . 10.0 110.112 171.718 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 42' ' ' TYR . . . . . . . . . . . . . 61.2 t80 -157.69 139.7 14.21 Favored 'General case' 0 CA--C 1.535 0.372 0 C-N-CA 123.975 0.91 . . . . 10.0 111.88 177.885 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 46.4 mt-10 -128.42 89.15 2.85 Favored 'General case' 0 CA--C 1.539 0.542 0 C-N-CA 126.947 2.099 . . . . 10.0 108.365 179.784 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . -92.74 38.39 3.18 Favored Glycine 0 N--CA 1.47 0.939 0 N-CA-C 117.202 1.641 . . . . 10.0 117.202 -168.998 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 45' ' ' CYS . . . . . . . . . . . . . 28.0 p -145.75 133.68 21.34 Favored 'General case' 0 CA--C 1.54 0.56 0 CA-C-N 118.161 0.98 . . . . 10.0 112.479 170.524 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 73.8 p -139.15 -4.66 1.49 Allowed 'General case' 0 N--CA 1.475 0.794 0 C-N-CA 126.171 1.788 . . . . 10.0 114.0 179.196 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 77.7 mm-40 -141.57 138.29 32.55 Favored 'General case' 0 N--CA 1.471 0.604 0 C-N-CA 126.526 1.931 . . . . 10.0 110.769 -175.426 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -54.71 -31.48 58.21 Favored 'General case' 0 CA--C 1.548 0.885 0 C-N-CA 124.672 1.189 . . . . 10.0 113.674 176.131 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 73.4 m-80 -68.31 -22.87 64.69 Favored 'General case' 0 CA--C 1.544 0.727 0 C-N-CA 126.014 1.726 . . . . 10.0 114.278 178.6 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . 2.5 p -59.86 149.19 7.02 Favored 'Isoleucine or valine' 0 N--CA 1.479 1.019 0 C-N-CA 124.274 1.03 . . . . 10.0 112.741 -174.364 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 36.5 p -117.62 169.76 9.31 Favored 'General case' 0 N--CA 1.479 0.982 0 C-N-CA 125.475 1.51 . . . . 10.0 112.057 -177.953 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 88.1 tttt -58.77 -49.63 76.93 Favored 'General case' 0 N--CA 1.472 0.659 0 C-N-CA 123.778 0.831 . . . . 10.0 111.522 169.89 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 45.1 mt-10 -51.46 -48.6 62.75 Favored 'General case' 0 N--CA 1.472 0.671 0 C-N-CA 124.058 0.943 . . . . 10.0 111.862 176.254 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 54' ' ' MET . . . . . . . . . . . . . 98.1 mtp -57.16 -56.27 23.95 Favored 'General case' 0 CA--C 1.536 0.416 0 C-N-CA 124.045 0.938 . . . . 10.0 112.223 171.263 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 10.0 tt -53.76 -53.4 52.76 Favored 'General case' 0 N--CA 1.471 0.62 0 C-N-CA 124.873 1.269 . . . . 10.0 112.764 -178.021 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 48.0 t -61.38 -48.12 90.31 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.883 0 C-N-CA 124.956 1.302 . . . . 10.0 111.443 -179.005 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 57' ' ' THR . . . . . . . . . . . . . 59.8 m -60.02 -48.05 83.32 Favored 'General case' 0 N--CA 1.478 0.968 0 C-N-CA 124.012 0.925 . . . . 10.0 111.755 175.67 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 41.3 m -60.88 -38.32 85.26 Favored 'General case' 0 N--CA 1.47 0.546 0 C-N-CA 124.617 1.167 . . . . 10.0 112.211 177.447 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 59' ' ' CYS . . . . . . . . . . . . . 44.8 t -58.38 -49.9 75.6 Favored 'General case' 0 CA--C 1.535 0.368 0 C-N-CA 124.907 1.283 . . . . 10.0 112.932 172.49 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 60' ' ' VAL . . . . . . . . . . . . . 55.3 t -54.55 -50.62 57.36 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.94 0 CA-C-N 118.886 0.766 . . . . 10.0 111.095 172.086 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 61' ' ' ASN . . . . . . . . . . . . . 16.6 m-80 -58.14 -45.1 87.96 Favored 'General case' 0 CA--C 1.545 0.765 0 C-N-CA 124.516 1.126 . . . . 10.0 113.377 176.786 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -62.49 -47.39 84.2 Favored 'General case' 0 CA--C 1.535 0.372 0 C-N-CA 124.249 1.02 . . . . 10.0 111.406 175.866 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 63' ' ' THR . . . . . . . . . . . . . 28.6 m -55.54 -49.9 71.41 Favored 'General case' 0 N--CA 1.472 0.634 0 C-N-CA 124.99 1.316 . . . . 10.0 111.261 175.752 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 64' ' ' GLN . . . . . . . . . . . . . 83.7 mt-30 -49.25 -60.16 3.05 Favored 'General case' 0 CA--C 1.536 0.42 0 C-N-CA 125.248 1.419 . . . . 10.0 111.779 171.737 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -57.78 -41.75 82.68 Favored 'General case' 0 CA--C 1.545 0.762 0 C-N-CA 125.581 1.552 . . . . 10.0 113.798 -178.919 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -66.25 -39.83 89.78 Favored 'General case' 0 CA--C 1.542 0.658 0 C-N-CA 125.026 1.331 . . . . 10.0 114.063 178.679 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 67' ' ' ASN . . . . . . . . . . . . . 11.5 m-80 -119.1 38.9 3.69 Favored 'General case' 0 CA--C 1.548 0.881 0 C-N-CA 124.249 1.019 . . . . 10.0 112.833 -169.804 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 68' ' ' GLN . . . . . . . . . . . . . 32.0 mm-40 -48.62 -55.16 12.0 Favored 'General case' 0 N--CA 1.476 0.835 0 C-N-CA 126.61 1.964 . . . . 10.0 113.702 -176.382 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -57.39 -44.43 84.49 Favored 'General case' 0 CA--C 1.542 0.661 0 C-N-CA 124.779 1.232 . . . . 10.0 113.353 -175.761 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 48.0 mt-10 -59.78 -50.73 72.68 Favored 'General case' 0 N--CA 1.472 0.633 0 C-N-CA 124.579 1.151 . . . . 10.0 111.967 177.474 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 71' ' ' PHE . . . . . . . . . . . . . 40.5 m-85 -61.27 -60.0 4.43 Favored 'General case' 0 CA--C 1.535 0.403 0 C-N-CA 123.134 0.574 . . . . 10.0 112.039 174.829 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 27.3 t -49.2 -51.86 30.32 Favored 'General case' 0 N--CA 1.471 0.594 0 C-N-CA 126.263 1.825 . . . . 10.0 113.608 -171.044 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 73' ' ' ARG . . . . . . . . . . . . . 88.6 mtm180 -58.41 -56.03 27.39 Favored 'General case' 0 N--CA 1.475 0.819 0 C-N-CA 125.275 1.43 . . . . 10.0 112.639 178.943 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 18.0 mt-10 -67.09 -46.43 74.25 Favored 'General case' 0 N--CA 1.47 0.556 0 N-CA-C 113.969 1.099 . . . . 10.0 113.969 -178.303 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 88.0 tttt -48.19 -29.25 3.55 Favored 'General case' 0 N--CA 1.48 1.04 0 C-N-CA 127.325 2.25 . . . . 10.0 115.116 -173.773 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 76' ' ' GLN . . . . . . . . . . . . . 72.9 mm-40 -54.46 -32.83 58.5 Favored 'General case' 0 CA--C 1.545 0.785 0 C-N-CA 125.218 1.407 . . . . 10.0 113.831 174.535 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 32.1 t70 -138.1 -37.21 0.58 Allowed 'General case' 0 CA--C 1.546 0.8 0 C-N-CA 125.463 1.505 . . . . 10.0 114.352 -171.563 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -76.9 54.41 1.01 Allowed 'General case' 0 CA--C 1.547 0.865 0 C-N-CA 127.31 2.244 . . . . 10.0 113.71 -169.892 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 24.6 ttmm -54.33 -51.64 64.07 Favored 'General case' 0 N--CA 1.478 0.948 0 C-N-CA 126.61 1.964 . . . . 10.0 113.321 -174.067 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 43.0 tp -56.63 -48.56 77.25 Favored 'General case' 0 CA--C 1.538 0.502 0 C-N-CA 124.518 1.127 . . . . 10.0 111.641 175.904 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 81' ' ' HIS . . . . . . . . . . . . . 14.1 t-160 -56.35 -53.81 52.91 Favored 'General case' 0 N--CA 1.469 0.524 0 CA-C-O 118.44 -0.79 . . . . 10.0 111.411 175.053 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 82' ' ' GLN . . . . . . . . . . . . . 93.1 mm-40 -48.87 -56.42 8.81 Favored 'General case' 0 N--CA 1.47 0.572 0 C-N-CA 124.573 1.149 . . . . 10.0 112.078 177.241 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 83' ' ' ARG . . . . . . . . . . . . . 80.2 ttt180 -49.56 -57.52 6.95 Favored 'General case' 0 N--CA 1.478 0.949 0 C-N-CA 124.731 1.212 . . . . 10.0 112.512 178.911 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 84' ' ' VAL . . . . . . . . . . . . . 58.5 t -60.46 -50.58 79.8 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.823 0 C-N-CA 125.608 1.563 . . . . 10.0 111.078 179.614 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 85' ' ' LEU . . . . . . . . . . . . . 52.0 tp -56.6 -50.23 72.6 Favored 'General case' 0 N--CA 1.469 0.505 0 C-N-CA 125.884 1.674 . . . . 10.0 112.71 178.895 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 86' ' ' TRP . . . . . . . . . . . . . 64.3 m95 -60.81 -41.98 96.73 Favored 'General case' 0 N--CA 1.468 0.425 0 N-CA-C 113.488 0.922 . . . . 10.0 113.488 176.311 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 87' ' ' ARG . . . . . . . . . . . . . 14.1 tpt180 -56.43 -50.37 71.87 Favored 'General case' 0 N--CA 1.474 0.743 0 CA-C-N 118.698 0.681 . . . . 10.0 111.417 170.039 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 88' ' ' LEU . . . . . . . . . . . . . 2.2 tt -55.3 -53.99 49.18 Favored 'General case' 0 CA--C 1.545 0.761 0 C-N-CA 124.66 1.184 . . . . 10.0 111.764 176.735 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 89' ' ' ILE . . . . . . . . . . . . . 83.9 mt -50.62 -51.35 19.72 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.709 0 C-N-CA 124.896 1.279 . . . . 10.0 110.857 173.849 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 65.9 tttp -58.24 -45.53 87.57 Favored 'General case' 0 N--CA 1.471 0.606 0 CA-C-O 117.95 -1.024 . . . . 10.0 113.296 176.803 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 64.9 mm-40 -53.51 -51.05 64.08 Favored 'General case' 0 N--CA 1.473 0.714 0 CA-C-N 120.027 1.285 . . . . 10.0 111.752 172.417 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 92' ' ' ILE . . . . . . . . . . . . . 97.7 mt -57.43 -53.86 38.49 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.968 0 C-N-CA 124.093 0.957 . . . . 10.0 111.407 174.817 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 93' ' ' CYS . . . . . . . . . . . . . 67.9 m -56.73 -43.45 80.65 Favored 'General case' 0 CA--C 1.542 0.638 0 C-N-CA 124.577 1.151 . . . . 10.0 112.614 179.653 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 50.4 m -61.74 -43.0 99.7 Favored 'General case' 0 N--CA 1.474 0.765 0 C-N-CA 125.448 1.499 . . . . 10.0 112.891 173.241 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . -62.98 -50.77 69.45 Favored 'General case' 0 CA--C 1.542 0.672 0 C-N-CA 125.249 1.42 . . . . 10.0 113.32 -178.768 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 96' ' ' LYS . . . . . . . . . . . . . 1.1 ptpm? -60.78 142.3 56.14 Favored 'General case' 0 N--CA 1.481 1.078 0 CA-C-N 118.891 0.768 . . . . 10.0 111.901 176.001 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 97' ' ' HIS . . . . . . . . . . . . . 2.0 m-70 -137.13 152.3 49.82 Favored 'General case' 0 N--CA 1.476 0.833 0 C-N-CA 127.176 2.191 . . . . 10.0 110.377 -175.59 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 98' ' ' CYS . . . . . . . . . . . . . 23.5 t -69.38 144.72 53.33 Favored 'General case' 0 CA--C 1.543 0.683 0 N-CA-C 112.383 0.512 . . . . 10.0 112.383 176.503 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 99' ' ' ASP . . . . . . . . . . . . . 31.7 t70 -65.22 -45.73 83.52 Favored 'General case' 0 CA--C 1.545 0.757 0 C-N-CA 124.944 1.298 . . . . 10.0 113.221 174.413 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 100' ' ' PHE . . . . . . . . . . . . . 9.8 p90 -95.52 7.93 44.79 Favored 'General case' 0 CA--C 1.545 0.775 0 N-CA-C 115.752 1.76 . . . . 10.0 115.752 -169.836 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 101' ' ' TRP . . . . . . . . . . . . . 7.8 m0 . . . . . 0 N--CA 1.476 0.852 0 CA-C-N 119.795 1.18 . . . . 10.0 113.129 176.81 . . . . . . . . 0 0 . 1 . 007 nuclear build core ' A' A ' 5' ' ' ASN . . . . . . . . . . . . . 30.7 m120 . . . . . 0 CA--C 1.549 0.922 0 CA-C-O 122.08 0.943 . . . . 10.0 112.02 . . . . . . . . . 0 0 . 1 . 007 nuclear build core ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 6.5 ptm180 -136.29 160.13 68.12 Favored Pre-proline 0 N--CA 1.472 0.675 0 C-N-CA 129.198 2.999 . . . . 10.0 110.495 173.198 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 7' ' ' PRO . . . . . . . . . . . . . 84.5 Cg_exo -46.85 121.35 4.91 Favored 'Trans proline' 0 CA--C 1.537 0.636 0 C-N-CA 123.229 2.62 . . . . 10.0 112.293 174.279 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . 112.92 -20.43 19.78 Favored Glycine 0 CA--C 1.538 1.493 0 C-N-CA 126.565 2.031 . . . . 10.0 114.622 -171.2 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -58.57 132.22 53.12 Favored 'General case' 0 CA--C 1.544 0.734 0 CA-C-N 119.416 1.608 . . . . 10.0 114.033 -170.531 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 10' ' ' PHE . . . . . . . . . . . . . 15.1 m-30 -57.39 142.28 44.3 Favored 'General case' 0 CA--C 1.543 0.674 0 C-N-CA 124.969 1.308 . . . . 10.0 112.544 170.9 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 74.2 mt -123.9 120.4 59.54 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.558 0 C-N-CA 125.38 1.472 . . . . 10.0 107.645 169.777 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 8.3 mtpm? -120.24 83.67 2.09 Favored 'General case' 0 N--CA 1.47 0.553 0 C-N-CA 126.238 1.815 . . . . 10.0 109.944 -176.805 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 16.6 mm100 -77.33 -40.13 45.25 Favored 'General case' 0 CA--C 1.541 0.6 0 C-N-CA 126.658 1.983 . . . . 10.0 110.838 171.684 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . 103.63 67.19 0.74 Allowed Glycine 0 CA--C 1.529 0.965 0 C-N-CA 126.418 1.961 . . . . 10.0 111.094 -178.825 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 20.8 ttp180 -135.28 120.59 19.03 Favored 'General case' 0 N--CA 1.471 0.587 0 C-N-CA 126.808 2.043 . . . . 10.0 110.947 -169.84 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 70.1 tttt -82.05 138.79 34.77 Favored 'General case' 0 N--CA 1.474 0.772 0 C-N-CA 126.302 1.841 . . . . 10.0 110.898 178.795 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 56.8 mt -123.17 139.81 53.67 Favored 'General case' 0 N--CA 1.472 0.665 0 C-N-CA 125.627 1.571 . . . . 10.0 112.676 -169.94 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 12.9 p-10 -79.0 91.71 4.88 Favored 'General case' 0 CA--C 1.546 0.817 0 C-N-CA 126.516 1.926 . . . . 10.0 111.894 172.669 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . 86.0 mt -134.49 127.95 50.75 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.818 0 C-N-CA 126.527 1.931 . . . . 10.0 108.713 179.638 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 22.5 t0 -92.84 87.01 5.67 Favored 'General case' 0 CA--C 1.538 0.504 0 C-N-CA 124.036 0.934 . . . . 10.0 110.649 171.888 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 21' ' ' PHE . . . . . . . . . . . . . 91.0 m-85 -64.72 -42.16 95.44 Favored 'General case' 0 CA--C 1.539 0.55 0 C-N-CA 127.041 2.136 . . . . 10.0 112.016 172.537 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 131.87 158.15 8.94 Favored Glycine 0 CA--C 1.532 1.131 0 C-N-CA 127.749 2.595 . . . . 10.0 109.772 -169.338 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -40.51 -59.01 1.44 Allowed 'General case' 0 CA--C 1.546 0.792 0 N-CA-C 115.245 1.572 . . . . 10.0 115.245 -169.563 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 2.0 tp10 -68.57 -41.0 80.31 Favored 'General case' 0 N--CA 1.473 0.698 0 O-C-N 121.504 -0.748 . . . . 10.0 112.972 -178.311 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -65.79 -38.39 94.35 Favored Glycine 0 CA--C 1.533 1.203 0 C-N-CA 124.321 0.962 . . . . 10.0 113.783 176.677 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 90.5 m-20 -58.24 -50.57 73.12 Favored 'General case' 0 CA--C 1.535 0.37 0 C-N-CA 125.909 1.684 . . . . 10.0 110.335 173.037 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 92.8 mtt180 -55.89 -49.63 72.87 Favored 'General case' 0 N--CA 1.478 0.963 0 C-N-CA 124.547 1.139 . . . . 10.0 111.026 174.68 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 28' ' ' TYR . . . . . . . . . . . . . 74.5 t80 -58.42 -56.37 23.03 Favored 'General case' 0 CA--C 1.536 0.412 0 C-N-CA 124.412 1.085 . . . . 10.0 112.249 179.963 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 29' ' ' TYR . . . . . . . . . . . . . 80.5 t80 -56.51 -50.59 71.34 Favored 'General case' 0 CA--C 1.537 0.459 0 C-N-CA 124.07 0.948 . . . . 10.0 112.201 176.454 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -51.81 -35.68 45.08 Favored 'General case' 0 CA--C 1.545 0.773 0 N-CA-C 113.713 1.005 . . . . 10.0 113.713 179.158 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -86.83 -28.75 22.72 Favored 'General case' 0 CA--C 1.551 1.004 0 C-N-CA 125.509 1.524 . . . . 10.0 114.945 175.898 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 32' ' ' ASN . . . . . . . . . . . . . 53.4 m-80 -122.83 10.78 9.61 Favored 'General case' 0 CA--C 1.547 0.83 0 N-CA-C 116.441 2.015 . . . . 10.0 116.441 -169.1 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 33' ' ' TYR . . . . . . . . . . . . . 45.7 p90 -48.23 -34.1 9.69 Favored 'General case' 0 N--CA 1.477 0.908 0 C-N-CA 126.277 1.831 . . . . 10.0 114.824 -177.755 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 34' ' ' TRP . . . . . . . . . . . . . 64.1 p-90 -51.44 -29.74 17.12 Favored 'General case' 0 CA--C 1.545 0.782 0 C-N-CA 126.298 1.839 . . . . 10.0 114.772 173.78 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 30.4 mt-30 -72.5 -31.88 65.72 Favored 'General case' 0 N--CA 1.473 0.709 0 C-N-CA 124.729 1.212 . . . . 10.0 113.771 175.562 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 36' ' ' PHE . . . . . . . . . . . . . 46.4 m-85 -78.75 151.98 77.25 Favored Pre-proline 0 CA--C 1.545 0.76 0 C-N-CA 125.045 1.338 . . . . 10.0 112.872 -169.671 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 94.9 Cg_endo -73.61 103.87 1.71 Allowed 'Trans proline' 0 CA--C 1.536 0.611 0 C-N-CA 123.49 2.793 . . . . 10.0 109.52 169.602 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 3.0 p30 -70.02 -24.61 63.31 Favored 'General case' 0 N--CA 1.474 0.768 0 O-C-N 120.786 -1.196 . . . . 10.0 112.482 179.045 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . -126.37 162.7 20.5 Favored Glycine 0 CA--C 1.539 1.56 0 C-N-CA 126.177 1.846 . . . . 10.0 110.805 168.821 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 40' ' ' ILE . . . . . . . . . . . . . 94.7 mt -137.01 123.73 29.45 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.883 0 C-N-CA 124.521 1.129 . . . . 10.0 108.901 173.431 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 41' ' ' TYR . . . . . . . . . . . . . 67.3 t80 -71.59 106.7 4.13 Favored 'General case' 0 CA--C 1.535 0.383 0 C-N-CA 123.694 0.798 . . . . 10.0 110.191 171.888 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 42' ' ' TYR . . . . . . . . . . . . . 83.9 t80 -155.09 135.16 13.02 Favored 'General case' 0 CA--C 1.534 0.364 0 C-N-CA 124.138 0.975 . . . . 10.0 110.856 172.035 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 47.5 mt-10 -134.37 83.51 2.04 Favored 'General case' 0 N--CA 1.471 0.591 0 C-N-CA 125.905 1.682 . . . . 10.0 110.404 -175.708 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . -81.81 -29.4 38.89 Favored Glycine 0 CA--C 1.536 1.38 0 C-N-CA 124.739 1.162 . . . . 10.0 114.622 -177.292 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 45' ' ' CYS . . . . . . . . . . . . . 66.2 m -55.83 119.94 6.58 Favored 'General case' 0 CA--C 1.543 0.693 0 C-N-CA 126.003 1.721 . . . . 10.0 112.907 -176.663 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 14.5 p -144.68 -61.09 0.37 Allowed 'General case' 0 N--CA 1.472 0.633 0 C-N-CA 126.086 1.755 . . . . 10.0 111.788 178.93 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 11.5 pt-20 -142.59 158.95 43.14 Favored 'General case' 0 N--CA 1.472 0.659 0 C-N-CA 125.969 1.708 . . . . 10.0 112.915 -179.362 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -52.94 -29.2 27.33 Favored 'General case' 0 CA--C 1.546 0.794 0 C-N-CA 126.262 1.825 . . . . 10.0 115.546 -174.891 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 74.6 m-20 -59.41 -29.12 67.52 Favored 'General case' 0 CA--C 1.545 0.784 0 C-N-CA 124.628 1.171 . . . . 10.0 113.196 173.989 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . 64.2 t -74.81 95.15 0.9 Allowed 'Isoleucine or valine' 0 N--CA 1.473 0.689 0 C-N-CA 124.589 1.156 . . . . 10.0 108.724 169.784 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 81.5 p -75.4 176.71 7.23 Favored 'General case' 0 N--CA 1.477 0.906 0 C-N-CA 125.381 1.473 . . . . 10.0 111.798 171.864 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 88.0 tttt -59.99 -50.39 73.93 Favored 'General case' 0 N--CA 1.473 0.684 0 O-C-N 121.067 -1.021 . . . . 10.0 110.94 169.761 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 2.3 mp0 -50.21 -49.89 51.34 Favored 'General case' 0 CA--C 1.538 0.509 0 C-N-CA 124.797 1.239 . . . . 10.0 111.915 176.578 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 54' ' ' MET . . . . . . . . . . . . . 84.4 mmm -54.82 -57.85 9.94 Favored 'General case' 0 N--CA 1.468 0.452 0 C-N-CA 124.628 1.171 . . . . 10.0 112.176 171.078 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 6.9 tt -60.07 -54.72 42.65 Favored 'General case' 0 CA--C 1.534 0.342 0 C-N-CA 124.3 1.04 . . . . 10.0 112.472 -174.043 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 96.2 t -58.47 -45.33 90.03 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.795 0 C-N-CA 125.543 1.537 . . . . 10.0 111.228 -177.391 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 57' ' ' THR . . . . . . . . . . . . . 62.4 m -60.44 -48.72 80.54 Favored 'General case' 0 N--CA 1.477 0.923 0 C-N-CA 124.148 0.979 . . . . 10.0 111.455 173.48 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 48.8 m -59.23 -39.3 82.31 Favored 'General case' 0 N--CA 1.471 0.609 0 C-N-CA 124.136 0.974 . . . . 10.0 112.612 176.086 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 59' ' ' CYS . . . . . . . . . . . . . 44.6 t -59.08 -48.78 80.35 Favored 'General case' 0 CA--C 1.536 0.44 0 C-N-CA 126.094 1.757 . . . . 10.0 112.662 173.447 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 60' ' ' VAL . . . . . . . . . . . . . 51.1 t -55.92 -50.63 67.9 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.042 0 CA-C-N 119.129 0.877 . . . . 10.0 111.298 171.993 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 61' ' ' ASN . . . . . . . . . . . . . 21.9 m-80 -57.04 -44.95 83.46 Favored 'General case' 0 CA--C 1.544 0.729 0 C-N-CA 124.508 1.123 . . . . 10.0 113.018 175.915 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -61.55 -46.66 88.99 Favored 'General case' 0 CA--C 1.538 0.484 0 C-N-CA 124.476 1.111 . . . . 10.0 111.33 174.834 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 63' ' ' THR . . . . . . . . . . . . . 32.6 m -55.89 -47.99 76.41 Favored 'General case' 0 N--CA 1.472 0.673 0 C-N-CA 125.376 1.471 . . . . 10.0 111.815 176.029 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 64' ' ' GLN . . . . . . . . . . . . . 42.1 mt-30 -50.16 -60.66 2.74 Favored 'General case' 0 CA--C 1.538 0.517 0 C-N-CA 124.413 1.085 . . . . 10.0 111.534 170.78 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -56.92 -43.54 81.53 Favored 'General case' 0 CA--C 1.545 0.758 0 C-N-CA 125.867 1.667 . . . . 10.0 114.141 -178.082 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -68.26 -35.82 78.48 Favored 'General case' 0 CA--C 1.545 0.755 0 C-N-CA 125.153 1.381 . . . . 10.0 114.206 179.506 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 67' ' ' ASN . . . . . . . . . . . . . 7.1 m-80 -123.54 37.81 4.33 Favored 'General case' 0 CA--C 1.547 0.836 0 C-N-CA 124.271 1.028 . . . . 10.0 113.091 -169.776 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 68' ' ' GLN . . . . . . . . . . . . . 62.8 mt-30 -51.94 -50.94 60.17 Favored 'General case' 0 N--CA 1.476 0.871 0 C-N-CA 126.142 1.777 . . . . 10.0 113.241 -175.917 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -53.43 -46.79 69.95 Favored 'General case' 0 CA--C 1.541 0.597 0 C-N-CA 125.257 1.423 . . . . 10.0 112.937 -178.199 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 23.5 mm-40 -58.21 -56.34 23.26 Favored 'General case' 0 N--CA 1.469 0.515 0 C-N-CA 124.5 1.12 . . . . 10.0 111.177 -178.564 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 71' ' ' PHE . . . . . . . . . . . . . 25.9 m-85 -55.71 -48.84 74.47 Favored 'General case' 0 CA--C 1.538 0.519 0 C-N-CA 124.522 1.129 . . . . 10.0 112.159 174.949 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 69.8 m -56.3 -46.44 79.8 Favored 'General case' 0 N--CA 1.473 0.703 0 C-N-CA 125.527 1.531 . . . . 10.0 113.386 -179.282 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 73' ' ' ARG . . . . . . . . . . . . . 28.7 mmm180 -66.16 -55.18 17.63 Favored 'General case' 0 N--CA 1.474 0.759 0 C-N-CA 124.501 1.121 . . . . 10.0 112.147 174.997 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 31.5 mm-40 -57.95 -55.86 29.43 Favored 'General case' 0 N--CA 1.471 0.579 0 C-N-CA 124.533 1.133 . . . . 10.0 113.493 -173.991 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 20.4 pttp -49.51 -27.28 4.18 Favored 'General case' 0 N--CA 1.473 0.686 0 N-CA-C 116.882 2.178 . . . . 10.0 116.882 -170.05 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 76' ' ' GLN . . . . . . . . . . . . . 21.9 mm100 -58.4 -33.83 70.08 Favored 'General case' 0 CA--C 1.542 0.667 0 C-N-CA 125.693 1.597 . . . . 10.0 113.055 178.228 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 32.6 t70 -135.1 -40.22 0.75 Allowed 'General case' 0 N--CA 1.473 0.715 0 C-N-CA 125.753 1.621 . . . . 10.0 113.088 -176.121 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -77.13 52.92 0.93 Allowed 'General case' 0 CA--C 1.545 0.767 0 C-N-CA 127.814 2.446 . . . . 10.0 112.681 -176.074 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 99.3 mttt -59.33 -52.29 66.26 Favored 'General case' 0 N--CA 1.475 0.778 0 C-N-CA 126.087 1.755 . . . . 10.0 112.421 -174.681 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 50.6 tp -57.14 -46.21 82.88 Favored 'General case' 0 N--CA 1.471 0.587 0 C-N-CA 123.873 0.869 . . . . 10.0 111.552 173.073 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 81' ' ' HIS . . . . . . . . . . . . . 17.7 t-160 -52.18 -54.48 30.28 Favored 'General case' 0 N--CA 1.47 0.566 0 CA-C-O 117.995 -1.002 . . . . 10.0 111.454 177.418 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 82' ' ' GLN . . . . . . . . . . . . . 20.4 mm100 -49.9 -52.44 33.0 Favored 'General case' 0 N--CA 1.473 0.684 0 CA-C-N 119.277 0.944 . . . . 10.0 112.858 178.656 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 83' ' ' ARG . . . . . . . . . . . . . 55.5 mmm-85 -54.61 -54.33 42.85 Favored 'General case' 0 N--CA 1.48 1.071 0 C-N-CA 123.905 0.882 . . . . 10.0 112.524 178.702 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 84' ' ' VAL . . . . . . . . . . . . . 43.7 t -59.32 -49.53 83.16 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.895 0 C-N-CA 125.519 1.527 . . . . 10.0 110.794 177.189 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 85' ' ' LEU . . . . . . . . . . . . . 47.4 tp -55.79 -47.28 77.36 Favored 'General case' 0 N--CA 1.468 0.458 0 C-N-CA 127.166 2.186 . . . . 10.0 112.83 178.11 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 86' ' ' TRP . . . . . . . . . . . . . 62.1 m95 -63.3 -42.8 99.07 Favored 'General case' 0 N--CA 1.469 0.491 0 N-CA-C 113.82 1.045 . . . . 10.0 113.82 175.356 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 87' ' ' ARG . . . . . . . . . . . . . 14.0 tpt180 -56.75 -50.87 70.95 Favored 'General case' 0 N--CA 1.476 0.865 0 CA-C-N 118.853 0.751 . . . . 10.0 111.553 170.067 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 88' ' ' LEU . . . . . . . . . . . . . 1.9 tm? -52.17 -52.78 49.86 Favored 'General case' 0 CA--C 1.545 0.783 0 C-N-CA 125.772 1.629 . . . . 10.0 111.816 173.89 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 89' ' ' ILE . . . . . . . . . . . . . 70.3 mt -53.28 -50.74 45.65 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.788 0 C-N-CA 124.705 1.202 . . . . 10.0 111.082 173.905 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 16.7 tppt? -57.53 -48.51 79.11 Favored 'General case' 0 N--CA 1.474 0.753 0 C-N-CA 124.613 1.165 . . . . 10.0 112.965 177.371 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 68.8 mm-40 -52.67 -48.98 66.13 Favored 'General case' 0 N--CA 1.474 0.775 0 CA-C-N 119.437 1.017 . . . . 10.0 111.869 174.01 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 92' ' ' ILE . . . . . . . . . . . . . 97.3 mt -60.92 -52.06 65.98 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.679 0 C-N-CA 124.142 0.977 . . . . 10.0 111.536 174.921 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 93' ' ' CYS . . . . . . . . . . . . . 56.4 m -56.01 -46.33 78.79 Favored 'General case' 0 CA--C 1.542 0.654 0 C-N-CA 123.821 0.848 . . . . 10.0 112.248 177.943 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 16.2 t -51.19 -37.88 49.12 Favored 'General case' 0 N--CA 1.476 0.868 0 C-N-CA 125.516 1.526 . . . . 10.0 113.777 173.495 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . -66.77 -21.97 66.05 Favored 'General case' 0 CA--C 1.548 0.894 0 N-CA-C 114.924 1.453 . . . . 10.0 114.924 179.702 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 96' ' ' LYS . . . . . . . . . . . . . 3.4 mptp? -62.63 123.8 19.33 Favored 'General case' 0 N--CA 1.48 1.06 0 CA-C-N 119.643 1.11 . . . . 10.0 109.748 173.46 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 97' ' ' HIS . . . . . 0.473 ' HA ' ' CZ3' ' A' ' 101' ' ' TRP . 3.5 m-70 -133.61 154.05 51.19 Favored 'General case' 0 N--CA 1.473 0.684 0 C-N-CA 125.515 1.526 . . . . 10.0 111.635 177.7 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 98' ' ' CYS . . . . . . . . . . . . . 33.2 m -118.14 135.95 53.91 Favored 'General case' 0 CA--C 1.537 0.48 0 C-N-CA 124.811 1.244 . . . . 10.0 111.645 -179.819 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 99' ' ' ASP . . . . . . . . . . . . . 32.2 t70 -58.75 -37.82 77.05 Favored 'General case' 0 CA--C 1.544 0.735 0 C-N-CA 124.852 1.261 . . . . 10.0 113.194 -179.899 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 100' ' ' PHE . . . . . . . . . . . . . 12.5 p90 -69.28 -12.53 61.75 Favored 'General case' 0 CA--C 1.545 0.776 0 N-CA-C 115.337 1.606 . . . . 10.0 115.337 -179.364 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 101' ' ' TRP . . . . . 0.473 ' CZ3' ' HA ' ' A' ' 97' ' ' HIS . 40.5 m0 . . . . . 0 N--CA 1.474 0.738 0 CA-C-N 119.901 1.228 . . . . 10.0 113.543 -179.093 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 5' ' ' ASN . . . . . . . . . . . . . 14.4 t-20 . . . . . 0 CA--C 1.546 0.823 0 CA-C-O 122.657 1.217 . . . . 10.0 110.428 . . . . . . . . . 0 0 . 1 . 008 nuclear build core ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 33.7 ptt180 -84.67 153.19 61.02 Favored Pre-proline 0 N--CA 1.475 0.81 0 C-N-CA 126.187 1.795 . . . . 10.0 111.819 169.794 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 7' ' ' PRO . . . . . . . . . . . . . 54.6 Cg_exo -51.43 121.04 7.77 Favored 'Trans proline' 0 CA--C 1.537 0.661 0 C-N-CA 123.461 2.774 . . . . 10.0 112.107 174.653 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . 115.34 -19.95 14.34 Favored Glycine 0 CA--C 1.537 1.434 0 C-N-CA 126.392 1.948 . . . . 10.0 114.216 -173.749 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -56.12 130.42 44.08 Favored 'General case' 0 CA--C 1.549 0.93 0 CA-C-N 119.432 1.616 . . . . 10.0 113.753 -171.322 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 10' ' ' PHE . . . . . . . . . . . . . 14.0 m-30 -57.78 145.44 34.85 Favored 'General case' 0 CA--C 1.542 0.657 0 C-N-CA 125.424 1.489 . . . . 10.0 113.085 173.844 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 53.4 mt -125.43 108.41 19.71 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.48 0 C-N-CA 125.06 1.344 . . . . 10.0 107.432 169.697 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 79.0 mttt -107.9 84.34 1.94 Allowed 'General case' 0 N--CA 1.471 0.622 0 C-N-CA 126.162 1.785 . . . . 10.0 110.417 -179.398 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 34.1 mt-30 -76.35 -35.33 58.77 Favored 'General case' 0 CA--C 1.541 0.599 0 C-N-CA 125.331 1.452 . . . . 10.0 110.508 169.717 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . 97.34 16.16 35.7 Favored Glycine 0 CA--C 1.535 1.316 0 C-N-CA 126.029 1.776 . . . . 10.0 113.122 -175.54 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 12.9 ttp180 -69.61 114.14 7.55 Favored 'General case' 0 N--CA 1.469 0.518 0 C-N-CA 127.609 2.364 . . . . 10.0 110.46 178.463 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 77.1 tttt -75.22 106.23 6.64 Favored 'General case' 0 N--CA 1.473 0.721 0 C-N-CA 125.236 1.414 . . . . 10.0 110.713 178.734 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 71.4 mt -79.77 179.66 7.41 Favored 'General case' 0 CA--C 1.546 0.8 0 C-N-CA 125.507 1.523 . . . . 10.0 112.221 -179.6 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 20.7 t70 -131.78 102.33 5.83 Favored 'General case' 0 CA--C 1.541 0.619 0 C-N-CA 125.695 1.598 . . . . 10.0 110.392 174.189 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . 95.4 mt -136.31 129.11 46.07 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.695 0 C-N-CA 127.159 2.183 . . . . 10.0 107.983 -175.542 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 24.3 t0 -87.31 84.1 7.26 Favored 'General case' 0 CA--C 1.54 0.567 0 CA-C-O 121.953 0.882 . . . . 10.0 110.828 172.737 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 21' ' ' PHE . . . . . . . . . . . . . 83.1 m-85 -62.61 -44.16 97.0 Favored 'General case' 0 CA--C 1.539 0.557 0 C-N-CA 126.786 2.035 . . . . 10.0 111.524 169.995 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 133.55 158.6 8.74 Favored Glycine 0 CA--C 1.533 1.213 0 C-N-CA 128.142 2.782 . . . . 10.0 110.185 -169.686 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -41.82 -53.93 3.55 Favored 'General case' 0 CA--C 1.547 0.852 0 N-CA-C 116.078 1.881 . . . . 10.0 116.078 -169.659 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 39.4 tt0 -66.28 -48.14 71.37 Favored 'General case' 0 N--CA 1.473 0.703 0 C-N-CA 125.086 1.354 . . . . 10.0 112.416 178.177 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -64.65 -40.28 97.39 Favored Glycine 0 CA--C 1.534 1.219 0 C-N-CA 124.958 1.266 . . . . 10.0 114.084 179.689 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 81.1 m-20 -55.09 -50.78 68.32 Favored 'General case' 0 CA--C 1.534 0.333 0 C-N-CA 126.468 1.907 . . . . 10.0 110.292 172.91 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 74.0 mtt85 -60.2 -46.08 90.95 Favored 'General case' 0 N--CA 1.475 0.808 0 C-N-CA 124.496 1.118 . . . . 10.0 111.701 176.656 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 28' ' ' TYR . . . . . . . . . . . . . 68.4 t80 -57.93 -54.65 44.57 Favored 'General case' 0 CA--C 1.537 0.452 0 C-N-CA 123.812 0.845 . . . . 10.0 112.322 176.636 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 29' ' ' TYR . . . . . . . . . . . . . 74.8 t80 -56.88 -51.36 69.36 Favored 'General case' 0 N--CA 1.468 0.438 0 C-N-CA 123.867 0.867 . . . . 10.0 112.097 176.467 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -51.23 -32.94 25.8 Favored 'General case' 0 CA--C 1.546 0.809 0 N-CA-C 114.007 1.114 . . . . 10.0 114.007 178.571 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -89.28 -28.57 19.8 Favored 'General case' 0 CA--C 1.551 1.019 0 C-N-CA 125.637 1.575 . . . . 10.0 114.962 175.914 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 32' ' ' ASN . . . . . . . . . . . . . 55.8 m-80 -122.53 7.64 9.52 Favored 'General case' 0 CA--C 1.547 0.859 0 N-CA-C 116.371 1.989 . . . . 10.0 116.371 -169.153 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 33' ' ' TYR . . . . . . . . . . . . . 47.5 p90 -43.87 -38.57 3.41 Favored 'General case' 0 N--CA 1.477 0.891 0 C-N-CA 127.548 2.339 . . . . 10.0 114.959 -178.006 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 34' ' ' TRP . . . . . . . . . . . . . 63.5 p-90 -49.95 -33.39 17.46 Favored 'General case' 0 CA--C 1.545 0.76 0 C-N-CA 126.528 1.931 . . . . 10.0 114.436 175.479 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 29.7 mt-30 -70.42 -32.02 69.46 Favored 'General case' 0 N--CA 1.471 0.62 0 C-N-CA 124.587 1.155 . . . . 10.0 113.956 176.69 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 36' ' ' PHE . . . . . . . . . . . . . 50.9 m-85 -78.13 150.31 77.43 Favored Pre-proline 0 CA--C 1.543 0.706 0 C-N-CA 125.171 1.388 . . . . 10.0 113.489 -169.556 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 83.2 Cg_endo -74.56 96.56 0.99 Allowed 'Trans proline' 0 CA--C 1.537 0.631 0 C-N-CA 123.661 2.907 . . . . 10.0 109.785 169.617 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 3.8 p30 -66.53 -25.24 66.58 Favored 'General case' 0 N--CA 1.474 0.75 0 O-C-N 120.963 -1.086 . . . . 10.0 112.401 178.642 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . -124.4 162.02 18.67 Favored Glycine 0 CA--C 1.537 1.408 0 C-N-CA 125.911 1.72 . . . . 10.0 110.717 168.904 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 40' ' ' ILE . . . . . . . . . . . . . 96.9 mt -135.96 124.14 36.72 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.712 0 C-N-CA 124.691 1.196 . . . . 10.0 108.74 175.173 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 41' ' ' TYR . . . . . . . . . . . . . 72.5 t80 -76.64 120.78 22.3 Favored 'General case' 0 CA--C 1.534 0.341 0 C-N-CA 124.379 1.071 . . . . 10.0 109.486 169.876 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 42' ' ' TYR . . . . . . . . . . . . . 49.6 t80 -151.54 151.62 31.83 Favored 'General case' 0 CA--C 1.541 0.602 0 O-C-N 121.418 -0.802 . . . . 10.0 111.901 177.147 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 48.1 mt-10 -130.16 96.61 4.22 Favored 'General case' 0 CA--C 1.538 0.494 0 C-N-CA 126.379 1.872 . . . . 10.0 109.717 -178.584 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . -113.94 -71.12 0.54 Allowed Glycine 0 CA--C 1.531 1.041 0 C-N-CA 125.56 1.552 . . . . 10.0 113.169 -174.281 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 45' ' ' CYS . . . . . . . . . . . . . 29.5 m -58.69 137.05 57.81 Favored 'General case' 0 CA--C 1.541 0.617 0 C-N-CA 125.463 1.505 . . . . 10.0 113.858 -178.698 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 49.4 p -145.91 -50.81 0.23 Allowed 'General case' 0 N--CA 1.472 0.661 0 C-N-CA 126.699 2.0 . . . . 10.0 111.417 179.61 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 11.5 pt-20 -138.54 161.2 37.67 Favored 'General case' 0 CA--C 1.541 0.605 0 C-N-CA 126.884 2.074 . . . . 10.0 112.352 178.643 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -52.48 -26.62 13.41 Favored 'General case' 0 CA--C 1.545 0.779 0 C-N-CA 126.484 1.914 . . . . 10.0 115.726 -174.614 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 71.0 m-20 -61.14 -31.03 70.75 Favored 'General case' 0 CA--C 1.545 0.758 0 C-N-CA 124.42 1.088 . . . . 10.0 113.32 174.478 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . 58.2 t -70.07 108.41 2.2 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.831 0 C-N-CA 124.434 1.094 . . . . 10.0 109.735 172.895 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 54.9 p -85.48 173.37 10.28 Favored 'General case' 0 N--CA 1.477 0.875 0 C-N-CA 124.186 0.994 . . . . 10.0 112.229 179.325 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 83.1 tttt -62.6 -49.02 76.89 Favored 'General case' 0 N--CA 1.471 0.584 0 O-C-N 121.403 -0.811 . . . . 10.0 110.954 169.742 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 2.3 mp0 -49.83 -48.35 50.99 Favored 'General case' 0 N--CA 1.471 0.584 0 C-N-CA 124.923 1.289 . . . . 10.0 112.212 174.975 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 54' ' ' MET . . . . . . . . . . . . . 92.9 mtp -55.1 -58.15 8.85 Favored 'General case' 0 N--CA 1.468 0.437 0 C-N-CA 124.409 1.084 . . . . 10.0 111.927 170.224 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 7.8 tt -53.73 -54.68 34.63 Favored 'General case' 0 CA--C 1.536 0.405 0 C-N-CA 124.185 0.994 . . . . 10.0 113.046 -178.544 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 47.8 t -58.95 -49.92 81.44 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.877 0 C-N-CA 124.155 0.982 . . . . 10.0 111.002 -175.017 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 57' ' ' THR . . . . . . . . . . . . . 31.0 m -60.67 -49.83 75.95 Favored 'General case' 0 N--CA 1.476 0.831 0 C-N-CA 124.488 1.115 . . . . 10.0 111.808 176.239 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 49.3 m -62.51 -37.92 87.94 Favored 'General case' 0 N--CA 1.472 0.638 0 C-N-CA 124.065 0.946 . . . . 10.0 112.651 179.512 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 59' ' ' CYS . . . . . . . . . . . . . 35.1 t -58.5 -49.27 77.98 Favored 'General case' 0 CA--C 1.537 0.475 0 C-N-CA 126.023 1.729 . . . . 10.0 112.452 173.332 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 60' ' ' VAL . . . . . . . . . . . . . 54.8 t -54.89 -51.14 55.85 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.062 0 C-N-CA 124.032 0.933 . . . . 10.0 111.342 171.664 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 61' ' ' ASN . . . . . . . . . . . . . 20.8 m-80 -58.11 -45.34 87.43 Favored 'General case' 0 CA--C 1.545 0.774 0 C-N-CA 124.547 1.139 . . . . 10.0 113.058 176.938 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -61.95 -47.37 85.18 Favored 'General case' 0 CA--C 1.535 0.398 0 C-N-CA 124.4 1.08 . . . . 10.0 111.297 175.914 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 63' ' ' THR . . . . . . . . . . . . . 33.4 m -53.12 -52.05 59.94 Favored 'General case' 0 N--CA 1.472 0.653 0 C-N-CA 125.057 1.343 . . . . 10.0 111.357 175.219 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 64' ' ' GLN . . . . . . . . . . . . . 79.3 mt-30 -49.5 -59.31 3.87 Favored 'General case' 0 N--CA 1.47 0.563 0 C-N-CA 125.253 1.421 . . . . 10.0 112.21 173.242 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -56.42 -43.22 79.16 Favored 'General case' 0 CA--C 1.544 0.743 0 C-N-CA 125.311 1.444 . . . . 10.0 113.554 179.717 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -71.96 -33.42 68.16 Favored 'General case' 0 CA--C 1.543 0.685 0 N-CA-C 114.634 1.346 . . . . 10.0 114.634 -177.07 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 67' ' ' ASN . . . . . . . . . . . . . 9.6 m-80 -122.55 40.18 3.74 Favored 'General case' 0 CA--C 1.547 0.863 0 CA-C-N 119.299 0.954 . . . . 10.0 112.737 -170.335 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 68' ' ' GLN . . . . . . . . . . . . . 65.9 mt-30 -53.91 -45.07 71.05 Favored 'General case' 0 N--CA 1.475 0.795 0 C-N-CA 125.572 1.549 . . . . 10.0 113.338 -177.949 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -54.94 -43.57 73.52 Favored 'General case' 0 CA--C 1.544 0.73 0 C-N-CA 125.363 1.465 . . . . 10.0 113.43 179.462 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 10.0 mm-40 -65.44 -53.62 40.28 Favored 'General case' 0 N--CA 1.47 0.567 0 C-N-CA 125.636 1.575 . . . . 10.0 111.37 176.669 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 71' ' ' PHE . . . . . . . . . . . . . 37.6 m-85 -61.25 -31.45 71.25 Favored 'General case' 0 N--CA 1.469 0.502 0 N-CA-C 113.669 0.988 . . . . 10.0 113.669 178.25 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 69.6 m -62.18 -55.51 27.88 Favored 'General case' 0 N--CA 1.471 0.596 0 C-N-CA 124.004 0.922 . . . . 10.0 112.16 175.417 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 73' ' ' ARG . . . . . . . . . . . . . 20.2 ptp180 -70.25 -50.7 37.01 Favored 'General case' 0 N--CA 1.476 0.832 0 C-N-CA 124.05 0.94 . . . . 10.0 113.437 -177.815 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 69.5 mm-40 -81.33 52.35 1.82 Allowed 'General case' 0 N--CA 1.477 0.91 0 C-N-CA 125.311 1.444 . . . . 10.0 112.236 -179.741 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 41.0 ttmt -142.37 -53.68 0.42 Allowed 'General case' 0 N--CA 1.477 0.923 0 C-N-CA 125.841 1.656 . . . . 10.0 113.288 176.623 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 76' ' ' GLN . . . . . . . . . . . . . 17.7 mm100 -43.93 -45.48 7.69 Favored 'General case' 0 N--CA 1.474 0.768 0 C-N-CA 126.992 2.117 . . . . 10.0 114.533 -169.832 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 26.4 t0 -135.76 50.07 2.12 Favored 'General case' 0 CA--C 1.544 0.747 0 C-N-CA 124.889 1.276 . . . . 10.0 110.36 169.911 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 5.6 m -143.84 37.17 1.3 Allowed 'General case' 0 N--CA 1.477 0.886 0 C-N-CA 125.209 1.404 . . . . 10.0 112.43 -169.907 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 14.5 mmmm -58.97 -45.38 90.69 Favored 'General case' 0 N--CA 1.478 0.969 0 C-N-CA 124.863 1.265 . . . . 10.0 112.941 -175.119 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 44.6 tp -55.72 -46.88 77.64 Favored 'General case' 0 N--CA 1.472 0.632 0 C-N-CA 124.378 1.071 . . . . 10.0 111.85 171.365 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 81' ' ' HIS . . . . . . . . . . . . . 10.0 t-160 -56.63 -54.83 41.5 Favored 'General case' 0 N--CA 1.47 0.53 0 CA-C-O 118.164 -0.922 . . . . 10.0 110.996 174.164 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 82' ' ' GLN . . . . . . . . . . . . . 75.0 mm-40 -48.53 -55.66 10.47 Favored 'General case' 0 N--CA 1.476 0.827 0 C-N-CA 124.603 1.161 . . . . 10.0 112.655 176.348 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 83' ' ' ARG . . . . . . . . . . . . . 48.2 mtp180 -47.82 -57.99 4.93 Favored 'General case' 0 N--CA 1.48 1.064 0 C-N-CA 125.468 1.507 . . . . 10.0 112.548 178.295 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 84' ' ' VAL . . . . . . . . . . . . . 46.9 t -62.87 -50.12 80.94 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.8 0 C-N-CA 125.625 1.57 . . . . 10.0 111.019 179.193 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 85' ' ' LEU . . . . . . . . . . . . . 47.5 tp -55.09 -47.02 75.49 Favored 'General case' 0 N--CA 1.469 0.514 0 C-N-CA 126.541 1.936 . . . . 10.0 112.65 179.652 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 86' ' ' TRP . . . . . . . . . . . . . 63.0 m95 -62.43 -45.9 91.01 Favored 'General case' 0 N--CA 1.465 0.301 0 N-CA-C 113.66 0.985 . . . . 10.0 113.66 175.471 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 87' ' ' ARG . . . . . . . . . . . . . 13.9 tpt180 -55.77 -50.9 69.2 Favored 'General case' 0 N--CA 1.473 0.721 0 CA-C-N 119.062 0.846 . . . . 10.0 111.489 171.212 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 88' ' ' LEU . . . . . . . . . . . . . 1.7 tm? -52.52 -53.31 47.77 Favored 'General case' 0 CA--C 1.545 0.769 0 C-N-CA 125.982 1.713 . . . . 10.0 112.027 175.314 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 89' ' ' ILE . . . . . . . . . . . . . 70.7 mt -54.93 -53.91 28.86 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.835 0 C-N-CA 124.355 1.062 . . . . 10.0 111.059 175.237 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 94.2 mttt -57.95 -43.5 86.41 Favored 'General case' 0 N--CA 1.472 0.627 0 C-N-CA 124.525 1.13 . . . . 10.0 112.836 178.322 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 8.7 tp10 -54.65 -51.45 65.39 Favored 'General case' 0 CA--C 1.543 0.704 0 C-N-CA 125.502 1.521 . . . . 10.0 111.465 173.309 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 92' ' ' ILE . . . . . . . . . . . . . 96.5 mt -57.58 -52.55 55.85 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.932 0 C-N-CA 124.814 1.246 . . . . 10.0 111.551 174.049 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 93' ' ' CYS . . . . . . . . . . . . . 91.1 m -56.07 -43.36 77.9 Favored 'General case' 0 CA--C 1.547 0.843 0 C-N-CA 124.195 0.998 . . . . 10.0 112.363 177.625 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 53.6 m -65.89 -40.39 91.53 Favored 'General case' 0 N--CA 1.477 0.892 0 C-N-CA 126.445 1.898 . . . . 10.0 113.657 176.662 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . -62.03 -53.33 57.08 Favored 'General case' 0 CA--C 1.543 0.683 0 C-N-CA 125.008 1.323 . . . . 10.0 113.063 -176.256 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 96' ' ' LYS . . . . . . . . . . . . . 18.9 ptpt -61.31 132.99 55.36 Favored 'General case' 0 N--CA 1.476 0.845 0 C-N-CA 124.587 1.155 . . . . 10.0 112.81 -178.637 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 97' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -133.13 153.69 51.29 Favored 'General case' 0 N--CA 1.47 0.551 0 C-N-CA 126.446 1.898 . . . . 10.0 114.083 -172.648 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 98' ' ' CYS . . . . . . . . . . . . . 56.2 m -111.11 129.83 55.81 Favored 'General case' 0 N--CA 1.47 0.564 0 C-N-CA 124.764 1.225 . . . . 10.0 112.029 -174.532 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 99' ' ' ASP . . . . . . . . . . . . . 5.9 p-10 -61.03 -31.4 71.04 Favored 'General case' 0 CA--C 1.543 0.674 0 C-N-CA 125.167 1.387 . . . . 10.0 114.703 -172.648 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 100' ' ' PHE . . . . . . . . . . . . . 7.1 p90 -73.6 -14.87 61.26 Favored 'General case' 0 CA--C 1.543 0.701 0 N-CA-C 114.804 1.409 . . . . 10.0 114.804 179.8 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 101' ' ' TRP . . . . . . . . . . . . . 43.5 m0 . . . . . 0 N--CA 1.472 0.654 0 CA-C-N 119.652 1.115 . . . . 10.0 112.861 -179.982 . . . . . . . . 0 0 . 1 . 009 nuclear build core ' A' A ' 5' ' ' ASN . . . . . . . . . . . . . 55.1 t30 . . . . . 0 CA--C 1.544 0.744 0 CA-C-O 121.781 0.8 . . . . 10.0 111.561 . . . . . . . . . 0 0 . 1 . 009 nuclear build core ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 7.8 ptm180 -72.7 155.67 90.67 Favored Pre-proline 0 N--CA 1.477 0.883 0 C-N-CA 124.144 0.978 . . . . 10.0 112.464 169.848 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 7' ' ' PRO . . . . . . . . . . . . . 67.1 Cg_exo -51.62 128.16 25.15 Favored 'Trans proline' 0 C--N 1.35 0.648 0 C-N-CA 123.584 2.856 . . . . 10.0 112.276 171.153 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . 106.77 -13.45 42.01 Favored Glycine 0 CA--C 1.535 1.315 0 C-N-CA 126.081 1.8 . . . . 10.0 114.143 -173.228 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -61.92 130.08 43.94 Favored 'General case' 0 CA--C 1.545 0.759 0 CA-C-N 119.39 1.595 . . . . 10.0 112.569 -176.171 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 10' ' ' PHE . . . . . . . . . . . . . 21.1 m-85 -61.28 149.3 38.34 Favored 'General case' 0 CA--C 1.541 0.602 0 C-N-CA 124.065 0.946 . . . . 10.0 112.587 174.238 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 76.7 mt -121.54 117.31 52.22 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.476 0 C-N-CA 125.735 1.614 . . . . 10.0 107.208 169.77 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 91.8 mttt -120.2 79.23 1.44 Allowed 'General case' 0 N--CA 1.471 0.59 0 C-N-CA 125.996 1.718 . . . . 10.0 109.74 -175.676 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 42.0 mt-30 -73.77 -36.72 65.12 Favored 'General case' 0 CA--C 1.539 0.536 0 C-N-CA 126.177 1.791 . . . . 10.0 110.854 171.687 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . 96.72 64.12 0.92 Allowed Glycine 0 CA--C 1.528 0.873 0 C-N-CA 125.423 1.487 . . . . 10.0 110.492 -178.317 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 15.7 ttp180 -132.33 106.57 7.99 Favored 'General case' 0 N--CA 1.469 0.496 0 C-N-CA 127.049 2.14 . . . . 10.0 110.142 -169.545 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 41.1 tttm -65.94 130.31 42.81 Favored 'General case' 0 N--CA 1.474 0.731 0 C-N-CA 123.865 0.866 . . . . 10.0 110.766 176.412 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 66.8 mt -96.89 -179.98 4.75 Favored 'General case' 0 CA--C 1.545 0.755 0 C-N-CA 126.581 1.952 . . . . 10.0 111.892 176.982 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 19.4 t0 -130.26 94.52 3.7 Favored 'General case' 0 CA--C 1.541 0.612 0 C-N-CA 125.863 1.665 . . . . 10.0 109.944 174.666 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . 94.3 mt -135.04 127.75 48.59 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.699 0 C-N-CA 126.915 2.086 . . . . 10.0 108.134 -173.321 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 23.6 t0 -86.58 84.71 7.35 Favored 'General case' 0 CA--C 1.539 0.54 0 CA-C-O 121.906 0.86 . . . . 10.0 110.542 171.712 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 21' ' ' PHE . . . . . . . . . . . . . 74.9 m-85 -62.81 -43.26 99.28 Favored 'General case' 0 CA--C 1.54 0.596 0 C-N-CA 126.794 2.038 . . . . 10.0 111.565 170.704 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 136.0 151.66 6.18 Favored Glycine 0 CA--C 1.533 1.186 0 C-N-CA 128.184 2.802 . . . . 10.0 109.685 -169.754 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -39.72 -58.31 1.36 Allowed 'General case' 0 CA--C 1.547 0.834 0 N-CA-C 115.785 1.772 . . . . 10.0 115.785 -169.46 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 33.7 tt0 -65.33 -43.27 91.5 Favored 'General case' 0 CA--C 1.546 0.79 0 C-N-CA 124.145 0.978 . . . . 10.0 112.718 -179.727 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -65.9 -39.14 94.85 Favored Glycine 0 CA--C 1.535 1.286 0 C-N-CA 124.823 1.202 . . . . 10.0 114.023 176.325 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 83.2 m-20 -56.79 -49.44 75.33 Favored 'General case' 0 CA--C 1.536 0.432 0 C-N-CA 125.842 1.657 . . . . 10.0 110.422 173.343 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 71.8 mtp85 -59.97 -45.95 91.03 Favored 'General case' 0 N--CA 1.473 0.719 0 C-N-CA 125.054 1.342 . . . . 10.0 111.468 176.592 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 28' ' ' TYR . . . . . . . . . . . . . 82.8 t80 -58.71 -53.87 53.53 Favored 'General case' 0 CA--C 1.537 0.449 0 C-N-CA 124.194 0.998 . . . . 10.0 112.008 176.459 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 29' ' ' TYR . . . . . . . . . . . . . 80.2 t80 -55.96 -52.87 62.63 Favored 'General case' 0 CA--C 1.537 0.45 0 C-N-CA 124.325 1.05 . . . . 10.0 112.484 176.684 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -49.84 -38.26 34.35 Favored 'General case' 0 CA--C 1.546 0.826 0 C-N-CA 124.232 1.013 . . . . 10.0 113.702 177.577 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -84.41 -23.26 30.11 Favored 'General case' 0 CA--C 1.551 0.985 0 N-CA-C 115.279 1.585 . . . . 10.0 115.279 176.759 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 32' ' ' ASN . . . . . . . . . . . . . 58.0 m-80 -128.48 10.03 6.12 Favored 'General case' 0 CA--C 1.548 0.883 0 N-CA-C 116.692 2.108 . . . . 10.0 116.692 -169.189 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 33' ' ' TYR . . . . . . . . . . . . . 43.4 p90 -51.33 -29.35 14.89 Favored 'General case' 0 N--CA 1.477 0.909 0 N-CA-C 115.15 1.537 . . . . 10.0 115.15 -175.648 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 34' ' ' TRP . . . . . . . . . . . . . 65.7 p-90 -50.93 -34.23 27.7 Favored 'General case' 0 CA--C 1.545 0.767 0 C-N-CA 125.85 1.66 . . . . 10.0 114.168 173.422 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 30.7 mt-30 -69.5 -39.09 77.8 Favored 'General case' 0 N--CA 1.472 0.65 0 C-N-CA 124.851 1.261 . . . . 10.0 113.672 176.34 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 36' ' ' PHE . . . . . . . . . . . . . 63.1 m-85 -73.57 154.32 89.63 Favored Pre-proline 0 CA--C 1.545 0.765 0 C-N-CA 126.305 1.842 . . . . 10.0 114.904 -169.178 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 94.3 Cg_endo -74.24 121.04 6.57 Favored 'Trans proline' 0 CA--C 1.537 0.652 0 C-N-CA 123.827 3.018 . . . . 10.0 109.494 169.171 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 3.6 p30 -87.42 -23.53 24.48 Favored 'General case' 0 CA--C 1.545 0.783 0 O-C-N 121.426 -0.796 . . . . 10.0 112.205 173.284 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . -131.36 167.11 22.64 Favored Glycine 0 CA--C 1.539 1.558 0 C-N-CA 126.365 1.936 . . . . 10.0 111.635 168.948 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 40' ' ' ILE . . . . . . . . . . . . . 96.8 mt -139.69 125.56 22.03 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.953 0 C-N-CA 125.079 1.351 . . . . 10.0 109.081 174.381 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 41' ' ' TYR . . . . . . . . . . . . . 86.7 t80 -75.48 117.6 17.45 Favored 'General case' 0 CA--C 1.537 0.455 0 C-N-CA 124.72 1.208 . . . . 10.0 110.279 169.968 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 42' ' ' TYR . . . . . . . . . . . . . 62.5 t80 -153.63 152.73 31.19 Favored 'General case' 0 CA--C 1.541 0.612 0 C-N-CA 124.263 1.025 . . . . 10.0 111.697 178.596 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 51.0 mt-10 -130.17 99.42 5.05 Favored 'General case' 0 N--CA 1.47 0.532 0 C-N-CA 125.879 1.672 . . . . 10.0 110.523 -179.441 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . -107.43 -49.99 0.83 Allowed Glycine 0 CA--C 1.532 1.13 0 C-N-CA 125.412 1.482 . . . . 10.0 114.313 -174.791 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 45' ' ' CYS . . . . . . . . . . . . . 65.2 m -59.51 127.05 30.1 Favored 'General case' 0 CA--C 1.544 0.747 0 C-N-CA 125.691 1.597 . . . . 10.0 113.246 -174.983 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 65.7 p -139.06 -58.61 0.6 Allowed 'General case' 0 N--CA 1.474 0.762 0 C-N-CA 125.834 1.654 . . . . 10.0 112.15 174.867 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 12.1 pt-20 -144.24 158.82 43.52 Favored 'General case' 0 N--CA 1.472 0.639 0 C-N-CA 125.933 1.693 . . . . 10.0 113.02 179.509 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -57.19 -21.06 30.56 Favored 'General case' 0 CA--C 1.545 0.773 0 N-CA-C 115.702 1.742 . . . . 10.0 115.702 -175.243 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 76.1 m-20 -65.61 -26.77 67.98 Favored 'General case' 0 CA--C 1.545 0.78 0 C-N-CA 124.244 1.018 . . . . 10.0 113.382 172.571 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . 67.8 t -63.63 115.05 2.2 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.85 0 C-N-CA 124.472 1.109 . . . . 10.0 109.348 170.554 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 39.6 p -86.41 172.57 10.28 Favored 'General case' 0 N--CA 1.475 0.787 0 C-N-CA 123.608 0.763 . . . . 10.0 111.983 177.383 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 40.8 tttp -60.61 -50.22 74.41 Favored 'General case' 0 N--CA 1.473 0.697 0 O-C-N 121.41 -0.806 . . . . 10.0 111.245 169.984 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 44.7 mt-10 -51.07 -49.08 61.33 Favored 'General case' 0 N--CA 1.471 0.597 0 C-N-CA 124.504 1.121 . . . . 10.0 111.803 176.011 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 54' ' ' MET . . . . . . . . . . . . . 94.5 mtp -54.25 -57.32 11.64 Favored 'General case' 0 N--CA 1.468 0.444 0 C-N-CA 124.193 0.997 . . . . 10.0 112.186 171.552 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 8.0 tt -61.69 -52.95 62.2 Favored 'General case' 0 CA--C 1.536 0.426 0 C-N-CA 123.553 0.741 . . . . 10.0 112.731 -173.424 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 62.5 t -57.32 -48.58 82.22 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.864 0 C-N-CA 124.961 1.305 . . . . 10.0 110.756 -179.869 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 57' ' ' THR . . . . . . . . . . . . . 65.9 m -59.94 -48.01 83.44 Favored 'General case' 0 N--CA 1.479 0.975 0 C-N-CA 124.346 1.058 . . . . 10.0 111.839 175.972 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 48.7 m -60.66 -39.56 88.8 Favored 'General case' 0 N--CA 1.472 0.635 0 C-N-CA 124.154 0.982 . . . . 10.0 112.522 177.395 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 59' ' ' CYS . . . . . . . . . . . . . 33.7 t -58.29 -49.4 77.26 Favored 'General case' 0 CA--C 1.54 0.561 0 C-N-CA 125.351 1.46 . . . . 10.0 112.759 171.451 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 60' ' ' VAL . . . . . . . . . . . . . 47.8 t -55.36 -48.7 76.52 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.067 0 C-N-CA 123.943 0.897 . . . . 10.0 111.501 172.092 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 61' ' ' ASN . . . . . . . . . . . . . 13.3 m-80 -59.2 -44.63 92.23 Favored 'General case' 0 CA--C 1.544 0.725 0 C-N-CA 124.547 1.139 . . . . 10.0 113.051 176.082 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -60.84 -46.51 90.28 Favored 'General case' 0 CA--C 1.537 0.445 0 C-N-CA 123.774 0.83 . . . . 10.0 111.284 174.25 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 63' ' ' THR . . . . . . . . . . . . . 27.1 m -57.53 -46.97 83.21 Favored 'General case' 0 N--CA 1.473 0.713 0 C-N-CA 124.992 1.317 . . . . 10.0 111.928 176.485 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 64' ' ' GLN . . . . . . . . . . . . . 62.1 mt-30 -50.47 -61.98 1.86 Allowed 'General case' 0 N--CA 1.468 0.451 0 C-N-CA 124.675 1.19 . . . . 10.0 111.662 169.995 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -55.14 -43.21 73.97 Favored 'General case' 0 CA--C 1.544 0.747 0 C-N-CA 125.732 1.613 . . . . 10.0 113.737 -178.471 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -66.28 -39.92 89.74 Favored 'General case' 0 CA--C 1.543 0.685 0 C-N-CA 125.449 1.5 . . . . 10.0 114.203 178.523 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 67' ' ' ASN . . . . . . . . . . . . . 12.5 m-80 -120.75 37.5 4.28 Favored 'General case' 0 N--CA 1.474 0.737 0 C-N-CA 124.206 1.002 . . . . 10.0 113.338 -169.575 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 68' ' ' GLN . . . . . . . . . . . . . 63.3 mt-30 -51.54 -53.36 38.67 Favored 'General case' 0 N--CA 1.475 0.798 0 C-N-CA 125.745 1.618 . . . . 10.0 112.417 -179.014 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -52.54 -45.78 66.5 Favored 'General case' 0 CA--C 1.54 0.582 0 C-N-CA 125.309 1.444 . . . . 10.0 112.944 178.769 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 8.2 mm-40 -57.78 -56.08 26.62 Favored 'General case' 0 N--CA 1.471 0.59 0 C-N-CA 124.45 1.1 . . . . 10.0 111.601 179.733 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 71' ' ' PHE . . . . . . . . . . . . . 29.6 m-85 -55.71 -50.1 71.23 Favored 'General case' 0 CA--C 1.539 0.54 0 C-N-CA 124.374 1.069 . . . . 10.0 112.098 176.75 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 61.9 m -56.65 -52.8 63.49 Favored 'General case' 0 N--CA 1.474 0.725 0 C-N-CA 124.857 1.263 . . . . 10.0 113.519 177.175 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 73' ' ' ARG . . . . . . . . . . . . . 64.4 mtm180 -60.03 -55.5 33.23 Favored 'General case' 0 N--CA 1.476 0.864 0 C-N-CA 124.754 1.221 . . . . 10.0 112.537 179.485 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 52.0 mm-40 -55.05 -68.45 0.19 Allowed 'General case' 0 CA--C 1.541 0.603 0 C-N-CA 125.011 1.324 . . . . 10.0 112.793 -178.5 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 88.0 tttt -33.11 -45.93 0.15 Allowed 'General case' 0 N--CA 1.481 1.081 0 C-N-CA 129.054 2.942 . . . . 10.0 116.096 -171.317 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 76' ' ' GLN . . . . . . . . . . . . . 20.0 mm100 -46.7 -49.38 19.5 Favored 'General case' 0 CA--C 1.542 0.661 0 C-N-CA 125.734 1.613 . . . . 10.0 113.025 178.129 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 32.7 t70 -104.59 -50.8 3.22 Favored 'General case' 0 N--CA 1.471 0.624 0 C-N-CA 125.447 1.499 . . . . 10.0 111.608 176.982 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 56.3 m -75.23 65.65 1.61 Allowed 'General case' 0 CA--C 1.54 0.568 0 C-N-CA 127.552 2.341 . . . . 10.0 112.018 176.328 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 64.0 mttp -66.24 -59.92 3.28 Favored 'General case' 0 N--CA 1.475 0.821 0 C-N-CA 126.519 1.927 . . . . 10.0 112.148 178.658 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 62.9 tp -53.16 -42.06 65.77 Favored 'General case' 0 N--CA 1.476 0.834 0 C-N-CA 125.091 1.356 . . . . 10.0 112.006 176.238 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 81' ' ' HIS . . . . . . . . . . . . . 13.6 t-160 -46.58 -48.17 19.64 Favored 'General case' 0 N--CA 1.468 0.454 0 C-N-CA 124.798 1.239 . . . . 10.0 111.839 179.632 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 82' ' ' GLN . . . . . . . . . . . . . 70.2 mm-40 -52.35 -52.09 55.25 Favored 'General case' 0 N--CA 1.47 0.564 0 C-N-CA 124.355 1.062 . . . . 10.0 112.825 -177.72 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 83' ' ' ARG . . . . . . . . . . . . . 16.4 mmp_? -55.03 -53.46 55.5 Favored 'General case' 0 N--CA 1.478 0.951 0 C-N-CA 124.799 1.239 . . . . 10.0 111.836 -179.991 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 84' ' ' VAL . . . . . . . . . . . . . 18.3 t -59.8 -53.49 47.78 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.769 0 C-N-CA 126.217 1.807 . . . . 10.0 110.722 177.813 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 85' ' ' LEU . . . . . . . . . . . . . 48.4 tp -55.73 -50.5 70.18 Favored 'General case' 0 CA--C 1.535 0.367 0 C-N-CA 127.145 2.178 . . . . 10.0 112.54 179.94 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 86' ' ' TRP . . . . . . . . . . . . . 56.0 m95 -60.73 -43.52 97.8 Favored 'General case' 0 N--CA 1.466 0.352 0 N-CA-C 113.567 0.951 . . . . 10.0 113.567 175.944 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 87' ' ' ARG . . . . . . . . . . . . . 13.8 tpt180 -56.29 -48.52 76.47 Favored 'General case' 0 N--CA 1.473 0.715 0 CA-C-N 118.897 0.771 . . . . 10.0 111.384 170.807 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 88' ' ' LEU . . . . . . . . . . . . . 1.7 tt -56.72 -53.0 62.78 Favored 'General case' 0 CA--C 1.544 0.743 0 C-N-CA 124.474 1.11 . . . . 10.0 111.846 176.142 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 89' ' ' ILE . . . . . . . . . . . . . 76.8 mt -50.66 -52.73 15.47 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.75 0 C-N-CA 124.846 1.258 . . . . 10.0 110.795 174.343 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 61.9 mtpt -57.19 -44.62 83.79 Favored 'General case' 0 N--CA 1.472 0.658 0 C-N-CA 124.379 1.072 . . . . 10.0 113.02 174.978 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 6.2 tp10 -55.62 -48.6 74.66 Favored 'General case' 0 CA--C 1.547 0.839 0 C-N-CA 125.062 1.345 . . . . 10.0 112.139 174.403 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 92' ' ' ILE . . . . . . . . . . . . . 96.1 mt -58.37 -54.01 38.58 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.863 0 C-N-CA 125.062 1.345 . . . . 10.0 111.118 172.077 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 93' ' ' CYS . . . . . . . . . . . . . 96.3 m -55.53 -43.08 75.42 Favored 'General case' 0 CA--C 1.546 0.803 0 C-N-CA 123.929 0.892 . . . . 10.0 112.655 178.41 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 67.5 m -58.58 -34.87 71.57 Favored 'General case' 0 N--CA 1.477 0.893 0 C-N-CA 126.326 1.85 . . . . 10.0 113.732 176.822 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . -67.91 -27.64 66.82 Favored 'General case' 0 CA--C 1.547 0.853 0 C-N-CA 124.437 1.095 . . . . 10.0 113.868 177.828 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 96' ' ' LYS . . . . . . . . . . . . . 42.1 mttm -63.85 127.62 32.17 Favored 'General case' 0 N--CA 1.477 0.915 0 C-N-CA 125.364 1.466 . . . . 10.0 112.252 -174.71 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 97' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -131.49 148.2 52.61 Favored 'General case' 0 CA--C 1.537 0.478 0 C-N-CA 126.249 1.82 . . . . 10.0 114.409 -172.035 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 98' ' ' CYS . . . . . . . . . . . . . 56.0 m -109.45 137.86 46.68 Favored 'General case' 0 CA--C 1.538 0.504 0 C-N-CA 124.958 1.303 . . . . 10.0 111.821 177.828 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 99' ' ' ASP . . . . . . . . . . . . . 31.4 t70 -60.72 -41.58 95.56 Favored 'General case' 0 N--CA 1.474 0.735 0 C-N-CA 124.556 1.142 . . . . 10.0 112.989 179.643 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 100' ' ' PHE . . . . . . . . . . . . . 6.3 p90 -70.49 -12.03 61.31 Favored 'General case' 0 CA--C 1.545 0.758 0 N-CA-C 115.4 1.629 . . . . 10.0 115.4 -178.704 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 101' ' ' TRP . . . . . . . . . . . . . 6.5 m0 . . . . . 0 CA--C 1.541 0.604 0 N-CA-C 115.702 1.741 . . . . 10.0 115.702 -169.755 . . . . . . . . 0 0 . 1 . 010 nuclear build core ' A' A ' 5' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER . . . . . 0 CA--C 1.546 0.817 0 CA-C-O 122.447 1.118 . . . . 10.0 109.269 . . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 70.7 mtt180 -78.21 154.93 79.77 Favored Pre-proline 0 N--CA 1.477 0.92 0 C-N-CA 126.758 2.023 . . . . 10.0 110.939 -179.555 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 7' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_exo -51.38 121.11 7.86 Favored 'Trans proline' 0 CA--C 1.541 0.832 0 C-N-CA 122.4 2.067 . . . . 10.0 110.215 169.092 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . 111.92 -16.83 25.37 Favored Glycine 0 CA--C 1.539 1.533 0 C-N-CA 126.464 1.983 . . . . 10.0 114.178 -169.708 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -59.8 134.0 56.62 Favored 'General case' 0 CA--C 1.543 0.701 0 CA-C-N 119.739 1.77 . . . . 10.0 113.492 -172.37 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 10' ' ' PHE . . . . . . . . . . . . . 14.2 m-30 -58.79 144.68 43.24 Favored 'General case' 0 CA--C 1.539 0.556 0 C-N-CA 125.279 1.431 . . . . 10.0 112.506 172.464 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 50.0 mt -123.39 111.42 29.33 Favored 'Isoleucine or valine' 0 C--O 1.237 0.424 0 N-CA-C 106.859 -1.534 . . . . 10.0 106.859 169.445 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 81.4 mttt -104.92 84.97 2.21 Favored 'General case' 0 N--CA 1.471 0.625 0 C-N-CA 125.713 1.605 . . . . 10.0 109.501 178.947 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 36.0 mt-30 -75.04 -40.13 60.58 Favored 'General case' 0 CA--C 1.539 0.532 0 C-N-CA 124.736 1.215 . . . . 10.0 110.365 171.642 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . 101.16 65.73 0.79 Allowed Glycine 0 CA--C 1.528 0.862 0 C-N-CA 125.917 1.723 . . . . 10.0 110.675 -179.578 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 19.9 ttp85 -133.51 111.94 11.11 Favored 'General case' 0 N--CA 1.469 0.504 0 C-N-CA 126.637 1.975 . . . . 10.0 110.533 -169.738 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 80.4 tttt -73.11 104.31 4.14 Favored 'General case' 0 N--CA 1.473 0.687 0 C-N-CA 125.849 1.659 . . . . 10.0 110.752 179.865 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 79.2 mt -77.35 177.27 8.08 Favored 'General case' 0 CA--C 1.546 0.81 0 C-N-CA 125.208 1.403 . . . . 10.0 112.3 179.676 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 19.2 t0 -128.18 100.12 5.72 Favored 'General case' 0 CA--C 1.541 0.634 0 C-N-CA 125.855 1.662 . . . . 10.0 110.241 176.049 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . 87.3 mt -137.27 129.71 42.94 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.709 0 C-N-CA 126.968 2.107 . . . . 10.0 108.346 -173.357 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 24.3 t0 -89.46 83.67 6.37 Favored 'General case' 0 CA--C 1.54 0.571 0 CA-C-O 122.001 0.905 . . . . 10.0 111.017 172.952 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 21' ' ' PHE . . . . . . . . . . . . . 81.6 m-85 -62.96 -45.36 92.81 Favored 'General case' 0 CA--C 1.539 0.549 0 C-N-CA 126.996 2.118 . . . . 10.0 111.466 169.901 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 137.05 157.34 7.61 Favored Glycine 0 CA--C 1.534 1.249 0 C-N-CA 128.24 2.829 . . . . 10.0 110.008 -169.629 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -41.03 -54.03 2.88 Favored 'General case' 0 CA--C 1.547 0.832 0 N-CA-C 116.3 1.963 . . . . 10.0 116.3 -169.531 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 5.3 tp10 -69.35 -47.98 62.72 Favored 'General case' 0 CA--C 1.544 0.72 0 C-N-CA 124.125 0.97 . . . . 10.0 112.282 179.299 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -62.16 -38.22 95.81 Favored Glycine 0 CA--C 1.534 1.252 0 C-N-CA 124.722 1.154 . . . . 10.0 113.852 178.209 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 79.5 m-20 -56.43 -52.49 64.48 Favored 'General case' 0 CA--C 1.534 0.338 0 C-N-CA 126.096 1.758 . . . . 10.0 110.181 173.027 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 75.7 mtt85 -59.24 -47.27 85.99 Favored 'General case' 0 N--CA 1.476 0.837 0 C-N-CA 124.512 1.125 . . . . 10.0 111.485 176.415 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 28' ' ' TYR . . . . . . . . . . . . . 77.0 t80 -58.55 -53.38 58.94 Favored 'General case' 0 CA--C 1.537 0.468 0 C-N-CA 124.349 1.06 . . . . 10.0 112.508 179.018 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 29' ' ' TYR . . . . . . . . . . . . . 82.7 t80 -57.28 -52.27 66.02 Favored 'General case' 0 CA--C 1.537 0.45 0 C-N-CA 123.764 0.826 . . . . 10.0 111.848 174.293 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -52.77 -37.25 59.31 Favored 'General case' 0 CA--C 1.545 0.774 0 N-CA-C 113.557 0.947 . . . . 10.0 113.557 179.328 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -80.16 -31.13 38.94 Favored 'General case' 0 CA--C 1.55 0.968 0 N-CA-C 114.962 1.468 . . . . 10.0 114.962 175.111 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 32' ' ' ASN . . . . . . . . . . . . . 48.7 m-80 -125.42 16.61 8.27 Favored 'General case' 0 CA--C 1.548 0.896 0 N-CA-C 116.488 2.032 . . . . 10.0 116.488 -169.059 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 33' ' ' TYR . . . . . . . . . . . . . 51.6 p90 -50.36 -32.12 16.53 Favored 'General case' 0 N--CA 1.476 0.856 0 C-N-CA 126.093 1.757 . . . . 10.0 114.639 -176.444 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 34' ' ' TRP . . . . . . . . . . . . . 65.7 p-90 -51.51 -33.97 33.97 Favored 'General case' 0 CA--C 1.545 0.768 0 C-N-CA 126.375 1.87 . . . . 10.0 114.219 174.844 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 31.6 mt-30 -65.62 -45.26 83.77 Favored 'General case' 0 N--CA 1.472 0.645 0 C-N-CA 124.45 1.1 . . . . 10.0 112.645 175.793 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 36' ' ' PHE . . . . . . . . . . . . . 56.0 m-85 -72.77 153.91 91.27 Favored Pre-proline 0 CA--C 1.544 0.718 0 C-N-CA 126.775 2.03 . . . . 10.0 112.922 -171.868 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 93.9 Cg_endo -72.37 157.49 53.18 Favored 'Trans proline' 0 CA--C 1.541 0.87 0 C-N-CA 122.209 1.939 . . . . 10.0 109.107 168.485 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 3.8 p30 -118.16 -25.43 6.65 Favored 'General case' 0 N--CA 1.474 0.757 0 O-C-N 121.199 -0.938 . . . . 10.0 111.911 171.016 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . -119.42 160.28 14.41 Favored Glycine 0 CA--C 1.536 1.389 0 C-N-CA 125.633 1.587 . . . . 10.0 110.096 168.42 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 40' ' ' ILE . . . . . . . . . . . . . 91.1 mt -134.75 122.98 40.32 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.756 0 C-N-CA 124.356 1.062 . . . . 10.0 108.512 172.76 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 41' ' ' TYR . . . . . . . . . . . . . 91.5 t80 -73.83 102.01 3.92 Favored 'General case' 0 CA--C 1.536 0.424 0 C-N-CA 124.975 1.31 . . . . 10.0 109.913 174.111 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 42' ' ' TYR . . . . . . . . . . . . . 85.7 t80 -153.18 137.74 16.83 Favored 'General case' 0 CA--C 1.538 0.494 0 C-N-CA 124.085 0.954 . . . . 10.0 111.056 177.688 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 46.1 mt-10 -132.53 64.17 1.61 Allowed 'General case' 0 N--CA 1.474 0.759 0 C-N-CA 125.397 1.479 . . . . 10.0 110.944 -173.528 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . -67.2 -52.33 32.64 Favored Glycine 0 CA--C 1.533 1.172 0 C-N-CA 125.157 1.36 . . . . 10.0 113.934 -178.558 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 45' ' ' CYS . . . . . . . . . . . . . 28.5 m -60.54 135.67 57.82 Favored 'General case' 0 CA--C 1.541 0.597 0 C-N-CA 125.323 1.449 . . . . 10.0 114.015 -175.139 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 25.8 t -148.02 -51.4 0.18 Allowed 'General case' 0 N--CA 1.472 0.629 0 C-N-CA 126.557 1.943 . . . . 10.0 110.961 178.291 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 10.5 pt-20 -139.6 163.04 33.62 Favored 'General case' 0 CA--C 1.542 0.637 0 C-N-CA 126.425 1.89 . . . . 10.0 111.971 179.032 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -51.38 -28.46 12.64 Favored 'General case' 0 CA--C 1.547 0.832 0 C-N-CA 126.498 1.919 . . . . 10.0 115.813 -174.237 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 69.8 m-80 -60.14 -28.52 67.95 Favored 'General case' 0 CA--C 1.545 0.785 0 C-N-CA 124.599 1.16 . . . . 10.0 113.281 173.896 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . 46.4 t -78.14 91.96 1.29 Allowed 'Isoleucine or valine' 0 N--CA 1.472 0.638 0 C-N-CA 124.521 1.128 . . . . 10.0 108.863 169.811 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 67.8 p -78.63 -179.99 6.78 Favored 'General case' 0 N--CA 1.476 0.838 0 C-N-CA 125.593 1.557 . . . . 10.0 112.064 175.293 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 86.0 tttt -59.95 -55.79 29.73 Favored 'General case' 0 N--CA 1.473 0.676 0 O-C-N 121.122 -0.986 . . . . 10.0 111.733 169.982 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 12.3 pt-20 -53.38 -38.88 63.78 Favored 'General case' 0 N--CA 1.474 0.768 0 CA-C-N 118.72 0.691 . . . . 10.0 112.705 178.868 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 54' ' ' MET . . . . . . . . . . . . . 85.3 mmm -59.23 -58.01 10.5 Favored 'General case' 0 CA--C 1.538 0.484 0 C-N-CA 124.099 0.96 . . . . 10.0 111.573 169.506 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 6.9 tt -54.48 -56.7 16.07 Favored 'General case' 0 CA--C 1.536 0.441 0 C-N-CA 124.499 1.12 . . . . 10.0 113.049 -178.955 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 22.5 t -60.21 -51.0 78.0 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.902 0 C-N-CA 123.743 0.817 . . . . 10.0 110.555 -173.911 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 57' ' ' THR . . . . . . . . . . . . . 28.5 m -60.85 -51.72 68.1 Favored 'General case' 0 N--CA 1.475 0.816 0 C-N-CA 124.346 1.058 . . . . 10.0 111.791 179.205 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 8.3 t -61.16 -40.78 95.16 Favored 'General case' 0 N--CA 1.47 0.53 0 C-N-CA 123.672 0.789 . . . . 10.0 112.23 178.638 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 59' ' ' CYS . . . . . . . . . . . . . 21.1 t -55.73 -53.6 54.63 Favored 'General case' 0 CA--C 1.534 0.337 0 C-N-CA 124.615 1.166 . . . . 10.0 112.85 169.955 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 60' ' ' VAL . . . . . . . . . . . . . 39.6 t -55.94 -39.72 58.84 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.852 0 C-N-CA 124.394 1.078 . . . . 10.0 111.811 177.266 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 61' ' ' ASN . . . . . . . . . . . . . 17.4 m-80 -63.85 -49.42 72.85 Favored 'General case' 0 CA--C 1.545 0.771 0 C-N-CA 124.766 1.226 . . . . 10.0 113.096 170.479 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -60.08 -42.37 94.43 Favored 'General case' 0 CA--C 1.543 0.689 0 C-N-CA 124.927 1.291 . . . . 10.0 112.106 178.039 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 63' ' ' THR . . . . . . . . . . . . . 61.3 m -54.86 -48.53 72.79 Favored 'General case' 0 N--CA 1.471 0.594 0 C-N-CA 126.349 1.86 . . . . 10.0 111.732 176.176 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 64' ' ' GLN . . . . . . . . . . . . . 48.8 mt-30 -51.43 -56.57 12.53 Favored 'General case' 0 N--CA 1.47 0.57 0 C-N-CA 124.278 1.031 . . . . 10.0 111.728 173.089 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -58.03 -42.31 85.02 Favored 'General case' 0 CA--C 1.545 0.775 0 C-N-CA 125.785 1.634 . . . . 10.0 113.994 -179.961 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -72.2 -36.79 69.3 Favored 'General case' 0 CA--C 1.545 0.767 0 N-CA-C 114.178 1.177 . . . . 10.0 114.178 -179.654 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 67' ' ' ASN . . . . . . . . . . . . . 8.5 m-80 -117.92 39.07 3.46 Favored 'General case' 0 N--CA 1.475 0.814 0 C-N-CA 124.324 1.05 . . . . 10.0 112.607 -170.689 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 68' ' ' GLN . . . . . . . . . . . . . 63.5 mt-30 -51.52 -46.53 63.3 Favored 'General case' 0 N--CA 1.474 0.775 0 C-N-CA 125.803 1.641 . . . . 10.0 113.141 -177.705 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -54.56 -52.13 63.07 Favored 'General case' 0 CA--C 1.541 0.618 0 C-N-CA 125.036 1.334 . . . . 10.0 112.636 177.996 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 9.9 mm-40 -56.65 -48.41 77.63 Favored 'General case' 0 N--CA 1.472 0.653 0 C-N-CA 124.714 1.206 . . . . 10.0 112.433 -179.837 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 71' ' ' PHE . . . . . . . . . . . . . 34.2 m-85 -61.45 -49.59 76.21 Favored 'General case' 0 CA--C 1.537 0.446 0 C-N-CA 122.898 0.479 . . . . 10.0 112.019 174.247 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 58.9 m -55.36 -47.66 75.42 Favored 'General case' 0 N--CA 1.475 0.797 0 C-N-CA 124.927 1.291 . . . . 10.0 113.213 178.463 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 73' ' ' ARG . . . . . . . . . . . . . 90.7 mtt180 -51.45 -51.86 51.27 Favored 'General case' 0 N--CA 1.477 0.884 0 C-N-CA 126.293 1.837 . . . . 10.0 112.314 176.106 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 46.6 mm-40 -81.04 -62.03 1.78 Allowed 'General case' 0 CA--C 1.54 0.579 0 C-N-CA 124.674 1.19 . . . . 10.0 113.159 -175.2 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 41.4 ttmt -46.35 -40.27 11.64 Favored 'General case' 0 N--CA 1.481 1.079 0 C-N-CA 128.19 2.596 . . . . 10.0 114.96 -170.906 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 76' ' ' GLN . . . . . . . . . . . . . 22.0 mm100 -60.44 -19.36 56.11 Favored 'General case' 0 CA--C 1.546 0.811 0 C-N-CA 124.906 1.282 . . . . 10.0 114.422 179.905 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 31.7 t70 -128.62 -48.31 1.27 Allowed 'General case' 0 N--CA 1.473 0.696 0 C-N-CA 125.683 1.593 . . . . 10.0 112.829 178.752 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 4.4 t -66.6 129.95 41.57 Favored 'General case' 0 CA--C 1.536 0.414 0 C-N-CA 125.719 1.608 . . . . 10.0 113.673 -175.089 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 60.3 tptt -88.65 -62.38 1.5 Allowed 'General case' 0 N--CA 1.474 0.748 0 C-N-CA 125.4 1.48 . . . . 10.0 111.739 173.66 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 49.2 tp -70.84 -44.61 66.11 Favored 'General case' 0 N--CA 1.469 0.496 0 C-N-CA 124.977 1.311 . . . . 10.0 113.404 -174.094 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 81' ' ' HIS . . . . . . . . . . . . . 14.1 t-160 -51.0 -50.62 58.11 Favored 'General case' 0 N--CA 1.475 0.81 0 CA-C-N 119.201 0.909 . . . . 10.0 112.323 -170.604 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 82' ' ' GLN . . . . . . . . . . . . . 92.2 mm-40 -52.61 -48.56 66.24 Favored 'General case' 0 N--CA 1.471 0.6 0 C-N-CA 123.895 0.878 . . . . 10.0 112.85 177.977 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 83' ' ' ARG . . . . . . . . . . . . . 14.2 mmp_? -51.97 -54.73 26.2 Favored 'General case' 0 N--CA 1.481 1.081 0 C-N-CA 124.796 1.238 . . . . 10.0 111.357 178.507 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 84' ' ' VAL . . . . . . . . . . . . . 21.4 t -62.31 -51.44 72.27 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.684 0 C-N-CA 126.482 1.913 . . . . 10.0 110.82 178.345 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 85' ' ' LEU . . . . . . . . . . . . . 50.4 tp -56.82 -46.72 81.48 Favored 'General case' 0 N--CA 1.468 0.463 0 C-N-CA 126.869 2.068 . . . . 10.0 112.919 -179.231 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 86' ' ' TRP . . . . . . . . . . . . . 73.2 m95 -64.93 -43.0 94.21 Favored 'General case' 0 N--CA 1.466 0.337 0 N-CA-C 113.48 0.918 . . . . 10.0 113.48 175.824 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 87' ' ' ARG . . . . . . . . . . . . . 13.6 tpt180 -55.99 -51.97 65.87 Favored 'General case' 0 N--CA 1.474 0.733 0 CA-C-O 118.663 -0.684 . . . . 10.0 110.99 169.832 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 88' ' ' LEU . . . . . . . . . . . . . 1.7 tm? -51.5 -54.49 26.61 Favored 'General case' 0 CA--C 1.544 0.74 0 C-N-CA 126.476 1.911 . . . . 10.0 112.143 175.125 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 89' ' ' ILE . . . . . . . . . . . . . 64.2 mt -53.89 -52.22 37.72 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.841 0 C-N-CA 124.71 1.204 . . . . 10.0 111.16 176.693 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 39.9 ttmt -60.89 -44.45 97.1 Favored 'General case' 0 N--CA 1.469 0.522 0 C-N-CA 123.865 0.866 . . . . 10.0 112.411 177.382 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 8.1 tp10 -54.17 -50.37 67.15 Favored 'General case' 0 CA--C 1.541 0.62 0 C-N-CA 125.269 1.428 . . . . 10.0 111.576 175.112 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 92' ' ' ILE . . . . . . . . . . . . . 96.7 mt -53.35 -58.22 3.5 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.905 0 C-N-CA 124.145 0.978 . . . . 10.0 110.904 171.604 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 93' ' ' CYS . . . . . . . . . . . . 0.307 0.5 OUTLIER -69.39 -28.11 65.89 Favored 'General case' 0 CA--C 1.546 0.823 0 N-CA-C 114.109 1.152 . . . . 10.0 114.109 -172.72 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 23.8 t -68.13 -40.94 82.34 Favored 'General case' 0 N--CA 1.474 0.73 0 C-N-CA 125.897 1.679 . . . . 10.0 112.405 169.368 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . -60.09 -51.36 69.94 Favored 'General case' 0 CA--C 1.542 0.645 0 C-N-CA 124.483 1.113 . . . . 10.0 113.037 179.705 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 96' ' ' LYS . . . . . . . . . . . . . 18.9 ptpt -58.58 137.91 57.18 Favored 'General case' 0 N--CA 1.48 1.052 0 O-C-N 121.449 -0.782 . . . . 10.0 112.64 177.025 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 97' ' ' HIS . . . . . . . . . . . . . 17.7 m80 -130.98 166.65 20.51 Favored 'General case' 0 N--CA 1.478 0.954 0 C-N-CA 126.775 2.03 . . . . 10.0 112.266 -177.566 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 98' ' ' CYS . . . . . . . . . . . . . 50.6 m -126.7 134.25 50.73 Favored 'General case' 0 CA--C 1.539 0.533 0 C-N-CA 125.662 1.585 . . . . 10.0 111.678 -178.016 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 99' ' ' ASP . . . . . . . . . . . . . 11.9 m-20 -57.05 -40.19 76.33 Favored 'General case' 0 N--CA 1.472 0.673 0 C-N-CA 125.524 1.53 . . . . 10.0 113.836 -172.015 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 100' ' ' PHE . . . . . . . . . . . . . 9.7 p90 -72.0 -4.73 30.31 Favored 'General case' 0 CA--C 1.545 0.761 0 N-CA-C 115.038 1.496 . . . . 10.0 115.038 -178.041 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 101' ' ' TRP . . . . . . . . . . . . . 53.2 m0 . . . . . 0 N--CA 1.475 0.789 0 CA-C-N 120.183 1.356 . . . . 10.0 112.308 175.538 . . . . . . . . 0 0 . 1 . 011 nuclear build core ' A' A ' 5' ' ' ASN . . . . . . . . . . . . . 1.3 t30 . . . . . 0 CA--C 1.55 0.972 0 CA-C-O 121.66 0.743 . . . . 10.0 112.593 . . . . . . . . . 0 0 . 1 . 011 nuclear build core ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 9.6 ptp180 -121.91 151.64 58.22 Favored Pre-proline 0 N--CA 1.478 0.933 0 C-N-CA 127.921 2.488 . . . . 10.0 110.77 172.772 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 7' ' ' PRO . . . . . . . . . . . . . 80.8 Cg_exo -47.4 114.53 1.05 Allowed 'Trans proline' 0 CA--C 1.541 0.85 0 C-N-CA 123.761 2.974 . . . . 10.0 113.868 -175.066 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . 114.6 -18.64 17.23 Favored Glycine 0 CA--C 1.539 1.537 0 C-N-CA 127.132 2.301 . . . . 10.0 114.42 -171.957 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -57.34 132.87 54.38 Favored 'General case' 0 CA--C 1.543 0.674 0 N-CA-C 115.495 1.665 . . . . 10.0 115.495 -169.603 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 10' ' ' PHE . . . . . . . . . . . . . 7.4 m-30 -58.38 134.19 56.4 Favored 'General case' 0 CA--C 1.541 0.615 0 C-N-CA 126.246 1.819 . . . . 10.0 112.489 170.216 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 61.7 mt -116.06 99.07 7.64 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.508 0 N-CA-C 106.741 -1.577 . . . . 10.0 106.741 169.618 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 53.8 mtmt -101.77 73.52 1.43 Allowed 'General case' 0 N--CA 1.472 0.652 0 C-N-CA 126.857 2.063 . . . . 10.0 110.074 -176.413 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 86.6 mm-40 -71.39 -45.32 63.08 Favored 'General case' 0 CA--C 1.54 0.559 0 C-N-CA 124.081 0.953 . . . . 10.0 110.395 170.643 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . 105.51 70.12 0.77 Allowed Glycine 0 CA--C 1.53 0.978 0 C-N-CA 126.024 1.773 . . . . 10.0 111.309 178.759 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 10.3 ttp180 -137.03 117.96 14.22 Favored 'General case' 0 N--CA 1.472 0.665 0 C-N-CA 126.97 2.108 . . . . 10.0 110.436 -169.819 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 44.8 tttm -69.66 139.53 53.53 Favored 'General case' 0 N--CA 1.474 0.731 0 C-N-CA 124.439 1.096 . . . . 10.0 111.769 179.609 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 61.2 mt -111.96 -179.74 3.77 Favored 'General case' 0 CA--C 1.546 0.798 0 C-N-CA 127.769 2.428 . . . . 10.0 111.651 174.506 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 20.9 t70 -126.13 99.61 5.97 Favored 'General case' 0 CA--C 1.542 0.646 0 C-N-CA 125.533 1.533 . . . . 10.0 110.569 175.065 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . 69.5 mt -136.3 130.86 48.15 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.727 0 C-N-CA 127.415 2.286 . . . . 10.0 108.143 -175.731 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 23.9 t0 -89.83 85.02 6.29 Favored 'General case' 0 N--CA 1.47 0.535 0 CA-C-O 122.075 0.94 . . . . 10.0 110.921 172.305 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 21' ' ' PHE . . . . . . . . . . . . . 82.8 m-85 -63.81 -44.36 93.53 Favored 'General case' 0 CA--C 1.54 0.561 0 C-N-CA 126.935 2.094 . . . . 10.0 111.73 170.335 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 133.52 160.46 9.4 Favored Glycine 0 CA--C 1.533 1.202 0 C-N-CA 127.989 2.709 . . . . 10.0 109.963 -169.517 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -42.15 -56.31 2.92 Favored 'General case' 0 CA--C 1.547 0.83 0 N-CA-C 115.432 1.642 . . . . 10.0 115.432 -169.727 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 26.0 mm-40 -63.89 -49.56 72.21 Favored 'General case' 0 N--CA 1.472 0.664 0 C-N-CA 124.185 0.994 . . . . 10.0 112.132 178.811 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -64.67 -38.04 95.15 Favored Glycine 0 CA--C 1.533 1.159 0 C-N-CA 124.621 1.105 . . . . 10.0 114.143 -178.967 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 84.2 m-20 -57.27 -53.72 54.93 Favored 'General case' 0 CA--C 1.533 0.32 0 C-N-CA 126.048 1.739 . . . . 10.0 110.145 173.86 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 94.2 mtt-85 -58.32 -47.68 82.94 Favored 'General case' 0 N--CA 1.474 0.745 0 C-N-CA 124.949 1.3 . . . . 10.0 111.458 175.861 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 28' ' ' TYR . . . . . . . . . . . . . 78.1 t80 -58.47 -54.63 44.83 Favored 'General case' 0 CA--C 1.536 0.44 0 C-N-CA 124.364 1.066 . . . . 10.0 112.363 178.89 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 29' ' ' TYR . . . . . . . . . . . . . 86.7 t80 -57.26 -50.63 72.28 Favored 'General case' 0 CA--C 1.538 0.489 0 C-N-CA 124.3 1.04 . . . . 10.0 112.221 176.047 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -52.07 -38.77 58.28 Favored 'General case' 0 CA--C 1.546 0.801 0 N-CA-C 113.461 0.911 . . . . 10.0 113.461 177.238 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -81.76 -25.78 35.03 Favored 'General case' 0 CA--C 1.55 0.949 0 N-CA-C 115.063 1.505 . . . . 10.0 115.063 176.107 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 32' ' ' ASN . . . . . . . . . . . . . 57.7 m-80 -126.65 11.47 7.3 Favored 'General case' 0 CA--C 1.548 0.866 0 N-CA-C 116.8 2.148 . . . . 10.0 116.8 -169.081 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 33' ' ' TYR . . . . . . . . . . . . . 41.6 p90 -51.04 -29.06 11.65 Favored 'General case' 0 N--CA 1.478 0.956 0 C-N-CA 125.285 1.434 . . . . 10.0 114.724 -177.62 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 34' ' ' TRP . . . . . . . . . . . . . 64.1 p-90 -52.37 -29.8 25.77 Favored 'General case' 0 CA--C 1.544 0.722 0 C-N-CA 126.109 1.763 . . . . 10.0 114.477 173.4 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 30.7 mt-30 -74.12 -39.78 63.12 Favored 'General case' 0 N--CA 1.473 0.695 0 C-N-CA 124.646 1.179 . . . . 10.0 113.351 174.681 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 36' ' ' PHE . . . . . . . . . . . . . 58.2 m-85 -70.83 149.66 95.11 Favored Pre-proline 0 CA--C 1.545 0.766 0 C-N-CA 125.687 1.595 . . . . 10.0 113.615 -169.552 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 84.2 Cg_endo -73.51 100.18 1.22 Allowed 'Trans proline' 0 CA--C 1.535 0.556 0 C-N-CA 123.772 2.981 . . . . 10.0 110.35 170.233 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 4.5 p30 -68.41 -20.02 64.63 Favored 'General case' 0 CA--C 1.545 0.778 0 O-C-N 121.02 -1.05 . . . . 10.0 112.955 177.391 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . -129.71 161.02 22.89 Favored Glycine 0 CA--C 1.535 1.302 0 C-N-CA 125.945 1.736 . . . . 10.0 110.764 169.045 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 40' ' ' ILE . . . . . . . . . . . . . 79.3 mt -136.95 122.72 27.13 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.8 0 C-N-CA 124.139 0.976 . . . . 10.0 109.333 174.328 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 41' ' ' TYR . . . . . . . . . . . . . 82.6 t80 -72.82 100.43 2.88 Favored 'General case' 0 CA--C 1.537 0.471 0 C-N-CA 124.365 1.066 . . . . 10.0 110.129 172.242 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 42' ' ' TYR . . . . . . . . . . . . . 83.2 t80 -156.29 136.59 12.99 Favored 'General case' 0 N--CA 1.467 0.406 0 C-N-CA 124.481 1.112 . . . . 10.0 110.888 172.84 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 43.9 mt-10 -134.5 77.91 1.72 Allowed 'General case' 0 CA--C 1.54 0.581 0 C-N-CA 126.095 1.758 . . . . 10.0 110.302 -175.497 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . -72.44 -28.59 67.45 Favored Glycine 0 CA--C 1.536 1.375 0 C-N-CA 124.902 1.239 . . . . 10.0 114.772 -176.592 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 45' ' ' CYS . . . . . . . . . . . . . 63.2 m -53.45 116.37 2.42 Favored 'General case' 0 CA--C 1.543 0.692 0 C-N-CA 126.437 1.895 . . . . 10.0 113.39 -175.015 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 51.4 m -132.26 -61.9 0.85 Allowed 'General case' 0 N--CA 1.475 0.781 0 C-N-CA 125.801 1.64 . . . . 10.0 111.788 -179.418 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 10.6 pt-20 -152.6 164.77 37.02 Favored 'General case' 0 N--CA 1.473 0.689 0 C-N-CA 126.328 1.851 . . . . 10.0 111.462 -179.36 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -51.66 -29.96 19.96 Favored 'General case' 0 CA--C 1.547 0.856 0 N-CA-C 115.67 1.73 . . . . 10.0 115.67 -175.781 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 70.6 m-20 -59.21 -30.74 68.45 Favored 'General case' 0 CA--C 1.546 0.795 0 C-N-CA 124.398 1.079 . . . . 10.0 113.059 173.594 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . 61.1 t -75.91 91.6 0.87 Allowed 'Isoleucine or valine' 0 N--CA 1.472 0.653 0 N-CA-C 107.886 -1.153 . . . . 10.0 107.886 169.423 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 69.4 p -72.29 177.86 4.27 Favored 'General case' 0 N--CA 1.474 0.756 0 C-N-CA 125.087 1.355 . . . . 10.0 111.956 173.897 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 60.4 tttm -59.29 -52.98 63.32 Favored 'General case' 0 N--CA 1.472 0.665 0 O-C-N 121.161 -0.962 . . . . 10.0 111.15 169.568 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 45.0 mt-10 -51.24 -47.11 62.48 Favored 'General case' 0 N--CA 1.474 0.771 0 C-N-CA 124.117 0.967 . . . . 10.0 112.258 176.677 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 54' ' ' MET . . . . . . . . . . . . . 87.4 mmm -54.97 -55.02 35.37 Favored 'General case' 0 N--CA 1.468 0.431 0 C-N-CA 124.239 1.015 . . . . 10.0 112.391 170.522 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 8.6 tt -58.92 -51.55 69.58 Favored 'General case' 0 CA--C 1.534 0.346 0 C-N-CA 123.73 0.812 . . . . 10.0 112.913 -178.202 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 21.8 t -57.71 -48.31 83.76 Favored 'Isoleucine or valine' 0 N--CA 1.479 0.994 0 CA-C-N 119.62 1.1 . . . . 10.0 110.897 -179.486 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 57' ' ' THR . . . . . . . . . . . . . 56.7 m -57.93 -51.23 70.49 Favored 'General case' 0 N--CA 1.476 0.855 0 C-N-CA 124.38 1.072 . . . . 10.0 111.763 175.097 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 45.0 m -60.62 -40.79 93.2 Favored 'General case' 0 N--CA 1.472 0.673 0 C-N-CA 124.573 1.149 . . . . 10.0 112.421 178.612 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 59' ' ' CYS . . . . . . . . . . . . . 40.9 t -59.22 -50.43 74.06 Favored 'General case' 0 CA--C 1.534 0.359 0 C-N-CA 126.201 1.8 . . . . 10.0 112.362 173.501 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 60' ' ' VAL . . . . . . . . . . . . . 43.1 t -54.59 -48.25 71.13 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.966 0 C-N-CA 124.153 0.981 . . . . 10.0 111.523 172.224 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 61' ' ' ASN . . . . . . . . . . . . . 16.7 m-80 -58.98 -46.49 87.99 Favored 'General case' 0 CA--C 1.546 0.79 0 C-N-CA 124.652 1.181 . . . . 10.0 113.176 175.069 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -60.43 -47.01 87.97 Favored 'General case' 0 CA--C 1.539 0.526 0 C-N-CA 124.238 1.015 . . . . 10.0 111.26 174.84 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 63' ' ' THR . . . . . . . . . . . . . 38.4 m -55.56 -47.81 75.78 Favored 'General case' 0 N--CA 1.471 0.598 0 C-N-CA 125.676 1.59 . . . . 10.0 111.709 177.002 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 64' ' ' GLN . . . . . . . . . . . . . 62.9 mt-30 -49.84 -59.63 3.66 Favored 'General case' 0 N--CA 1.469 0.513 0 C-N-CA 124.362 1.065 . . . . 10.0 112.052 170.966 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -56.99 -45.79 82.7 Favored 'General case' 0 CA--C 1.544 0.75 0 C-N-CA 125.551 1.54 . . . . 10.0 113.787 -178.799 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -68.35 -35.67 78.09 Favored 'General case' 0 CA--C 1.544 0.722 0 C-N-CA 125.172 1.389 . . . . 10.0 114.257 -179.002 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 67' ' ' ASN . . . . . . . . . . . . . 12.8 m-80 -121.31 39.25 3.88 Favored 'General case' 0 N--CA 1.474 0.746 0 C-N-CA 124.26 1.024 . . . . 10.0 113.074 -169.715 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 68' ' ' GLN . . . . . . . . . . . . . 64.2 mt-30 -52.18 -50.42 61.88 Favored 'General case' 0 N--CA 1.473 0.716 0 C-N-CA 125.248 1.419 . . . . 10.0 112.624 -178.987 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -56.31 -43.32 78.85 Favored 'General case' 0 CA--C 1.544 0.738 0 C-N-CA 125.115 1.366 . . . . 10.0 113.362 178.316 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 23.0 mm-40 -57.34 -51.16 70.49 Favored 'General case' 0 N--CA 1.471 0.603 0 C-N-CA 125.361 1.465 . . . . 10.0 111.735 178.906 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 71' ' ' PHE . . . . . . . . . . . . . 34.5 m-85 -64.19 -49.76 70.76 Favored 'General case' 0 CA--C 1.536 0.436 0 C-N-CA 124.203 1.001 . . . . 10.0 112.219 174.448 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 71.6 m -52.84 -55.11 25.47 Favored 'General case' 0 N--CA 1.472 0.63 0 C-N-CA 125.306 1.442 . . . . 10.0 113.558 -173.413 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 73' ' ' ARG . . . . . . . . . . . . . 31.1 ptt-85 -59.52 -45.58 91.32 Favored 'General case' 0 N--CA 1.479 0.994 0 N-CA-C 113.369 0.877 . . . . 10.0 113.369 -177.135 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 33.8 mm-40 -61.09 -54.05 49.48 Favored 'General case' 0 N--CA 1.469 0.52 0 C-N-CA 124.959 1.304 . . . . 10.0 111.68 176.362 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 86.1 tttt -49.53 -28.72 5.83 Favored 'General case' 0 N--CA 1.477 0.9 0 C-N-CA 127.134 2.174 . . . . 10.0 115.053 -178.178 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 76' ' ' GLN . . . . . . . . . . . . . 70.8 mm-40 -56.44 -33.76 66.18 Favored 'General case' 0 N--CA 1.475 0.816 0 N-CA-C 113.783 1.031 . . . . 10.0 113.783 175.6 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 32.0 t70 -132.93 -40.92 0.93 Allowed 'General case' 0 N--CA 1.474 0.727 0 C-N-CA 125.439 1.495 . . . . 10.0 113.521 -171.439 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 4.9 t -64.25 151.12 44.47 Favored 'General case' 0 CA--C 1.536 0.42 0 C-N-CA 125.453 1.501 . . . . 10.0 113.569 -178.476 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 59.3 mtmt -120.73 -67.69 0.96 Allowed 'General case' 0 N--CA 1.474 0.76 0 C-N-CA 126.138 1.775 . . . . 10.0 110.564 171.209 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 48.5 tp -60.41 -45.37 93.84 Favored 'General case' 0 CA--C 1.537 0.474 0 C-N-CA 125.331 1.453 . . . . 10.0 113.308 -176.561 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 81' ' ' HIS . . . . . . . . . . . . . 14.7 t-160 -51.12 -50.73 58.26 Favored 'General case' 0 N--CA 1.474 0.771 0 CA-C-N 119.168 0.894 . . . . 10.0 111.662 -173.947 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 82' ' ' GLN . . . . . . . . . . . . . 17.9 mm100 -51.52 -50.5 59.87 Favored 'General case' 0 CA--C 1.539 0.545 0 C-N-CA 124.574 1.15 . . . . 10.0 112.609 179.066 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 83' ' ' ARG . . . . . . . . . . . . . 10.4 mpt_? -58.8 -53.87 53.54 Favored 'General case' 0 N--CA 1.48 1.038 0 C-N-CA 124.39 1.076 . . . . 10.0 111.699 179.71 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 84' ' ' VAL . . . . . . . . . . . . . 29.6 t -57.21 -49.78 78.71 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.876 0 C-N-CA 125.2 1.4 . . . . 10.0 110.649 176.981 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 85' ' ' LEU . . . . . . . . . . . . . 45.3 tp -56.75 -47.99 78.83 Favored 'General case' 0 CA--C 1.537 0.468 0 C-N-CA 126.481 1.912 . . . . 10.0 112.646 177.594 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 86' ' ' TRP . . . . . . . . . . . . . 52.5 m95 -61.31 -44.08 97.81 Favored 'General case' 0 N--CA 1.468 0.461 0 N-CA-C 113.787 1.032 . . . . 10.0 113.787 174.919 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 87' ' ' ARG . . . . . . . . . . . . . 14.6 tpt180 -57.18 -51.59 68.7 Favored 'General case' 0 N--CA 1.474 0.768 0 CA-C-N 118.764 0.711 . . . . 10.0 111.565 171.338 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 88' ' ' LEU . . . . . . . . . . . . . 2.3 tm? -51.7 -51.97 51.95 Favored 'General case' 0 CA--C 1.544 0.726 0 C-N-CA 126.299 1.84 . . . . 10.0 111.866 174.906 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 89' ' ' ILE . . . . . . . . . . . . . 65.6 mt -53.34 -53.82 21.68 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.738 0 C-N-CA 124.735 1.214 . . . . 10.0 110.936 172.907 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 36.6 ttpt -57.42 -45.91 84.08 Favored 'General case' 0 N--CA 1.473 0.678 0 C-N-CA 124.426 1.09 . . . . 10.0 113.225 179.762 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 66.8 mm-40 -52.28 -50.79 61.44 Favored 'General case' 0 N--CA 1.472 0.662 0 C-N-CA 124.277 1.031 . . . . 10.0 112.005 172.05 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 92' ' ' ILE . . . . . . . . . . . . . 98.2 mt -60.22 -50.2 81.15 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.96 0 C-N-CA 123.771 0.828 . . . . 10.0 111.71 174.634 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 93' ' ' CYS . . . . . . . . . . . . . 65.1 m -55.71 -39.05 70.53 Favored 'General case' 0 CA--C 1.545 0.762 0 C-N-CA 124.659 1.183 . . . . 10.0 112.603 176.544 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 66.3 m -66.7 -42.09 86.98 Favored 'General case' 0 N--CA 1.475 0.798 0 C-N-CA 125.903 1.681 . . . . 10.0 113.401 171.271 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . -61.27 -47.87 84.01 Favored 'General case' 0 CA--C 1.543 0.691 0 C-N-CA 125.55 1.54 . . . . 10.0 113.357 -176.28 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 96' ' ' LYS . . . . . . . . . . . . . 1.8 ptpm? -60.48 139.49 57.71 Favored 'General case' 0 N--CA 1.48 1.029 0 C-N-CA 123.876 0.87 . . . . 10.0 111.334 171.133 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 97' ' ' HIS . . . . . . . . . . . . . 1.9 m-70 -138.07 165.69 25.96 Favored 'General case' 0 N--CA 1.479 1.024 0 C-N-CA 126.314 1.846 . . . . 10.0 112.364 -172.484 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 98' ' ' CYS . . . . . . . . . . . . . 35.2 m -113.68 137.23 51.9 Favored 'General case' 0 N--CA 1.469 0.496 0 C-N-CA 125.236 1.415 . . . . 10.0 112.041 174.377 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 99' ' ' ASP . . . . . . . . . . . . . 32.5 t70 -61.04 -40.27 92.98 Favored 'General case' 0 CA--C 1.543 0.698 0 C-N-CA 124.999 1.319 . . . . 10.0 113.174 179.664 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 100' ' ' PHE . . . . . . . . . . . . . 8.8 p90 -68.9 -11.93 61.09 Favored 'General case' 0 CA--C 1.544 0.725 0 N-CA-C 115.396 1.628 . . . . 10.0 115.396 -176.418 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 101' ' ' TRP . . . . . . . . . . . . . 38.4 m0 . . . . . 0 N--CA 1.473 0.707 0 CA-C-N 119.881 1.219 . . . . 10.0 112.766 -178.482 . . . . . . . . 0 0 . 1 . 012 nuclear build core ' A' A ' 5' ' ' ASN . . . . . . . . . . . . . 17.3 t-20 . . . . . 0 CA--C 1.545 0.787 0 CA-C-O 121.877 0.846 . . . . 10.0 109.545 . . . . . . . . . 0 0 . 1 . 012 nuclear build core ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -125.22 159.62 58.77 Favored Pre-proline 0 N--CA 1.477 0.919 0 C-N-CA 127.52 2.328 . . . . 10.0 111.805 178.97 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 7' ' ' PRO . . . . . . . . . . . . . 75.8 Cg_exo -45.01 120.87 3.18 Favored 'Trans proline' 0 CA--C 1.537 0.67 0 C-N-CA 124.015 3.143 . . . . 10.0 113.522 179.162 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . 116.97 -23.49 9.95 Favored Glycine 0 CA--C 1.538 1.512 0 C-N-CA 127.623 2.535 . . . . 10.0 114.122 -170.395 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -60.09 132.59 54.42 Favored 'General case' 0 CA--C 1.546 0.818 0 CA-C-N 119.473 1.637 . . . . 10.0 112.96 -172.27 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 10' ' ' PHE . . . . . . . . . . . . . 23.2 m-85 -61.49 151.45 32.79 Favored 'General case' 0 CA--C 1.542 0.661 0 O-C-N 121.464 -0.773 . . . . 10.0 112.917 175.242 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 70.9 mt -120.52 97.84 5.5 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.492 0 C-N-CA 126.166 1.786 . . . . 10.0 106.304 169.385 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 60.2 mtpt -96.29 84.67 3.79 Favored 'General case' 0 N--CA 1.473 0.709 0 C-N-CA 125.522 1.529 . . . . 10.0 110.542 -172.766 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 26.8 mt-30 -76.65 -26.71 55.15 Favored 'General case' 0 CA--C 1.541 0.601 0 C-N-CA 124.067 0.947 . . . . 10.0 111.652 171.225 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . 80.31 11.58 84.1 Favored Glycine 0 CA--C 1.536 1.399 0 C-N-CA 125.053 1.311 . . . . 10.0 114.16 179.977 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 45.6 ttp180 -69.59 129.85 40.8 Favored 'General case' 0 N--CA 1.47 0.55 0 C-N-CA 127.108 2.163 . . . . 10.0 110.992 177.741 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 53.1 tttm -69.85 120.53 15.73 Favored 'General case' 0 N--CA 1.473 0.678 0 C-N-CA 123.94 0.896 . . . . 10.0 110.64 171.878 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 75.4 mt -90.02 -179.93 5.8 Favored 'General case' 0 CA--C 1.546 0.815 0 C-N-CA 126.425 1.89 . . . . 10.0 111.806 175.478 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 20.2 t0 -132.13 95.33 3.64 Favored 'General case' 0 CA--C 1.541 0.614 0 C-N-CA 125.718 1.607 . . . . 10.0 110.368 175.442 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . 59.3 mt -134.43 132.12 54.85 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.715 0 C-N-CA 127.455 2.302 . . . . 10.0 108.124 -175.06 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 23.6 t0 -89.3 84.45 6.48 Favored 'General case' 0 CA--C 1.539 0.526 0 CA-C-O 121.981 0.896 . . . . 10.0 110.748 172.952 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 21' ' ' PHE . . . . . . . . . . . . . 54.0 m-85 -61.77 -42.64 99.24 Favored 'General case' 0 CA--C 1.541 0.607 0 C-N-CA 126.656 1.982 . . . . 10.0 111.509 171.09 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 132.2 152.37 7.06 Favored Glycine 0 CA--C 1.533 1.166 0 C-N-CA 128.257 2.837 . . . . 10.0 109.61 -169.786 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -41.05 -51.77 3.28 Favored 'General case' 0 CA--C 1.548 0.875 0 N-CA-C 116.071 1.878 . . . . 10.0 116.071 -169.624 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 37.9 tt0 -63.11 -50.3 71.04 Favored 'General case' 0 N--CA 1.475 0.811 0 C-N-CA 125.237 1.415 . . . . 10.0 112.802 176.758 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -66.27 -37.06 92.56 Favored Glycine 0 CA--C 1.535 1.3 0 C-N-CA 124.867 1.223 . . . . 10.0 114.262 178.451 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 83.9 m-20 -56.35 -51.29 68.82 Favored 'General case' 0 CA--C 1.536 0.417 0 C-N-CA 126.045 1.738 . . . . 10.0 110.433 174.58 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 87.5 mtm180 -59.93 -44.96 94.04 Favored 'General case' 0 N--CA 1.474 0.734 0 C-N-CA 125.08 1.352 . . . . 10.0 111.763 176.292 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 28' ' ' TYR . . . . . . . . . . . . . 77.9 t80 -58.88 -53.69 55.57 Favored 'General case' 0 CA--C 1.536 0.43 0 C-N-CA 123.603 0.761 . . . . 10.0 112.346 176.05 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 29' ' ' TYR . . . . . . . . . . . . . 77.4 t80 -56.44 -51.87 66.8 Favored 'General case' 0 CA--C 1.537 0.448 0 C-N-CA 124.13 0.972 . . . . 10.0 112.251 177.145 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -49.61 -36.71 25.12 Favored 'General case' 0 CA--C 1.546 0.81 0 C-N-CA 124.38 1.072 . . . . 10.0 113.866 176.858 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -86.56 -21.97 26.58 Favored 'General case' 0 CA--C 1.552 1.039 0 N-CA-C 115.235 1.568 . . . . 10.0 115.235 177.037 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 32' ' ' ASN . . . . . . . . . . . . . 55.7 m-80 -130.63 11.53 5.27 Favored 'General case' 0 N--CA 1.477 0.903 0 N-CA-C 116.435 2.013 . . . . 10.0 116.435 -169.24 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 33' ' ' TYR . . . . . . . . . . . . . 44.8 p90 -50.4 -31.22 14.29 Favored 'General case' 0 N--CA 1.476 0.855 0 C-N-CA 125.786 1.634 . . . . 10.0 115.194 -175.218 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 34' ' ' TRP . . . . . . . . . . . . . 65.5 p-90 -50.84 -33.85 25.41 Favored 'General case' 0 CA--C 1.545 0.776 0 C-N-CA 126.181 1.793 . . . . 10.0 114.402 175.007 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 32.8 mt-30 -68.89 -35.98 77.51 Favored 'General case' 0 N--CA 1.474 0.759 0 C-N-CA 124.42 1.088 . . . . 10.0 113.667 177.742 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 36' ' ' PHE . . . . . . . . . . . . . 64.5 m-85 -75.44 157.07 84.96 Favored Pre-proline 0 CA--C 1.545 0.766 0 C-N-CA 126.456 1.903 . . . . 10.0 113.872 -169.581 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 59.7 Cg_endo -73.49 160.79 43.77 Favored 'Trans proline' 0 CA--C 1.541 0.848 0 C-N-CA 123.039 2.493 . . . . 10.0 110.95 169.616 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 7.4 t70 -112.54 -36.13 5.33 Favored 'General case' 0 N--CA 1.475 0.782 0 C-N-CA 125.283 1.433 . . . . 10.0 111.061 172.986 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . -130.66 174.25 19.84 Favored Glycine 0 CA--C 1.534 1.239 0 C-N-CA 126.034 1.778 . . . . 10.0 111.621 169.651 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 40' ' ' ILE . . . . . . . . . . . . . 97.3 mt -138.23 126.01 29.34 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.691 0 C-N-CA 125.284 1.434 . . . . 10.0 108.342 175.178 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 41' ' ' TYR . . . . . . . . . . . . . 90.9 t80 -73.48 109.7 7.2 Favored 'General case' 0 CA--C 1.536 0.418 0 C-N-CA 125.275 1.43 . . . . 10.0 109.835 171.409 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 42' ' ' TYR . . . . . . . . . . . . . 49.4 t80 -151.54 149.83 29.65 Favored 'General case' 0 N--CA 1.474 0.733 0 CA-C-N 119.167 0.894 . . . . 10.0 112.385 -179.48 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 51.5 mt-10 -135.29 71.22 1.43 Allowed 'General case' 0 N--CA 1.474 0.741 0 C-N-CA 126.034 1.734 . . . . 10.0 110.81 -175.684 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . -79.51 -57.22 3.17 Favored Glycine 0 CA--C 1.532 1.116 0 C-N-CA 124.847 1.213 . . . . 10.0 113.564 -178.742 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 45' ' ' CYS . . . . . . . . . . . . . 25.0 m -62.52 142.25 58.04 Favored 'General case' 0 CA--C 1.541 0.627 0 C-N-CA 125.48 1.512 . . . . 10.0 114.029 -178.203 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 24.8 t -146.55 -52.52 0.23 Allowed 'General case' 0 N--CA 1.472 0.651 0 C-N-CA 126.273 1.829 . . . . 10.0 111.45 178.915 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 10.8 pt-20 -141.88 162.77 34.65 Favored 'General case' 0 CA--C 1.542 0.659 0 C-N-CA 126.253 1.821 . . . . 10.0 112.106 -179.441 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -52.49 -25.01 9.06 Favored 'General case' 0 CA--C 1.546 0.79 0 C-N-CA 126.503 1.921 . . . . 10.0 116.096 -174.309 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 68.2 m-20 -61.14 -32.13 71.84 Favored 'General case' 0 CA--C 1.546 0.813 0 C-N-CA 124.162 0.985 . . . . 10.0 113.331 172.535 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . 48.0 t -73.02 124.32 29.7 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.861 0 C-N-CA 124.762 1.225 . . . . 10.0 110.166 173.117 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 82.6 p -113.31 176.7 4.91 Favored 'General case' 0 N--CA 1.478 0.966 0 C-N-CA 125.775 1.63 . . . . 10.0 112.254 -177.733 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 84.3 tttt -58.69 -54.66 44.52 Favored 'General case' 0 N--CA 1.473 0.7 0 O-C-N 121.316 -0.865 . . . . 10.0 111.97 173.358 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 12.3 pt-20 -54.13 -37.44 64.36 Favored 'General case' 0 N--CA 1.474 0.742 0 N-CA-C 112.88 0.696 . . . . 10.0 112.88 179.306 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 54' ' ' MET . . . . . . . . . . . . . 93.7 mtp -62.61 -56.72 15.23 Favored 'General case' 0 CA--C 1.538 0.496 0 C-N-CA 123.211 0.605 . . . . 10.0 111.109 169.445 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 8.3 tt -54.98 -52.83 61.88 Favored 'General case' 0 CA--C 1.535 0.38 0 C-N-CA 124.989 1.315 . . . . 10.0 113.367 -177.124 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 43.6 t -59.69 -52.02 65.93 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.965 0 CA-C-N 119.504 1.047 . . . . 10.0 111.523 -173.24 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 57' ' ' THR . . . . . . . . . . . . . 87.8 m -59.67 -48.17 82.73 Favored 'General case' 0 N--CA 1.475 0.779 0 C-N-CA 124.431 1.092 . . . . 10.0 111.936 174.614 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 42.0 m -61.47 -38.86 88.77 Favored 'General case' 0 N--CA 1.474 0.729 0 C-N-CA 123.544 0.737 . . . . 10.0 112.773 178.388 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 59' ' ' CYS . . . . . . . . . . . . . 36.7 t -59.12 -50.07 75.46 Favored 'General case' 0 CA--C 1.535 0.403 0 C-N-CA 126.598 1.959 . . . . 10.0 112.231 172.898 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 60' ' ' VAL . . . . . . . . . . . . . 41.6 t -54.67 -49.52 67.18 Favored 'Isoleucine or valine' 0 N--CA 1.479 1.004 0 C-N-CA 124.013 0.925 . . . . 10.0 111.511 171.663 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 61' ' ' ASN . . . . . . . . . . . . . 16.9 m-80 -58.53 -45.3 89.14 Favored 'General case' 0 CA--C 1.544 0.746 0 C-N-CA 124.513 1.125 . . . . 10.0 113.146 175.795 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -61.69 -45.51 93.68 Favored 'General case' 0 CA--C 1.537 0.477 0 C-N-CA 124.093 0.957 . . . . 10.0 111.537 174.855 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 63' ' ' THR . . . . . . . . . . . . . 31.4 m -55.23 -49.13 72.76 Favored 'General case' 0 N--CA 1.472 0.654 0 C-N-CA 125.362 1.465 . . . . 10.0 111.547 176.112 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 64' ' ' GLN . . . . . . . . . . . . . 77.2 mt-30 -49.92 -59.65 3.66 Favored 'General case' 0 CA--C 1.539 0.529 0 C-N-CA 124.732 1.213 . . . . 10.0 111.836 171.0 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -56.3 -40.28 74.07 Favored 'General case' 0 CA--C 1.546 0.813 0 C-N-CA 125.685 1.594 . . . . 10.0 114.153 -179.707 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -71.59 -43.93 65.37 Favored 'General case' 0 CA--C 1.543 0.677 0 C-N-CA 125.3 1.44 . . . . 10.0 114.222 -179.816 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 67' ' ' ASN . . . . . . . . . . . . . 9.3 m-80 -113.38 39.52 2.59 Favored 'General case' 0 CA--C 1.545 0.781 0 C-N-CA 124.509 1.124 . . . . 10.0 112.288 -169.668 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 68' ' ' GLN . . . . . . . . . . . . . 16.9 mm-40 -51.05 -50.53 58.46 Favored 'General case' 0 N--CA 1.473 0.721 0 C-N-CA 126.224 1.809 . . . . 10.0 113.636 -174.189 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -54.28 -48.52 71.15 Favored 'General case' 0 CA--C 1.542 0.645 0 C-N-CA 124.909 1.284 . . . . 10.0 113.074 -177.792 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 16.4 mm-40 -55.63 -55.15 35.42 Favored 'General case' 0 N--CA 1.471 0.619 0 C-N-CA 124.887 1.275 . . . . 10.0 111.307 179.209 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 71' ' ' PHE . . . . . . . . . . . . . 33.2 m-85 -59.21 -49.42 77.93 Favored 'General case' 0 CA--C 1.535 0.385 0 C-N-CA 123.923 0.889 . . . . 10.0 112.264 176.147 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 70.7 m -53.95 -48.32 70.39 Favored 'General case' 0 N--CA 1.473 0.718 0 C-N-CA 125.127 1.371 . . . . 10.0 112.88 -178.92 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 73' ' ' ARG . . . . . . . . . . . . . 89.4 mmt-85 -63.47 -52.12 62.73 Favored 'General case' 0 N--CA 1.474 0.774 0 C-N-CA 124.564 1.145 . . . . 10.0 112.326 176.089 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 37.1 mm-40 -65.9 -59.41 3.88 Favored 'General case' 0 N--CA 1.472 0.629 0 C-N-CA 124.229 1.012 . . . . 10.0 113.573 -176.735 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 23.1 ttmm -43.95 -40.02 4.39 Favored 'General case' 0 N--CA 1.481 1.112 0 C-N-CA 127.896 2.478 . . . . 10.0 115.147 -169.84 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 76' ' ' GLN . . . . . . . . . . . . . 95.7 mm-40 -53.78 -33.55 56.26 Favored 'General case' 0 CA--C 1.546 0.796 0 C-N-CA 125.713 1.605 . . . . 10.0 114.343 179.156 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 31.8 t70 -135.49 -35.04 0.82 Allowed 'General case' 0 N--CA 1.476 0.865 0 C-N-CA 125.039 1.336 . . . . 10.0 114.034 -172.715 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -77.38 63.44 2.56 Favored 'General case' 0 CA--C 1.543 0.688 0 C-N-CA 127.316 2.246 . . . . 10.0 112.578 -173.521 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 88.3 tttt -49.74 -62.28 1.65 Allowed 'General case' 0 N--CA 1.475 0.796 0 C-N-CA 127.704 2.402 . . . . 10.0 113.206 -171.934 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 39.7 tp -63.32 -44.82 93.87 Favored 'General case' 0 CA--C 1.536 0.441 0 C-N-CA 124.671 1.189 . . . . 10.0 112.166 -179.576 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 81' ' ' HIS . . . . . . . . . . . . . 16.3 t-160 -50.86 -48.22 60.17 Favored 'General case' 0 N--CA 1.471 0.603 0 C-N-CA 123.763 0.825 . . . . 10.0 112.019 -177.927 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 82' ' ' GLN . . . . . . . . . . . . . 84.0 mm-40 -47.88 -55.69 9.26 Favored 'General case' 0 N--CA 1.471 0.624 0 C-N-CA 124.207 1.003 . . . . 10.0 112.638 175.955 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 83' ' ' ARG . . . . . . . . . . . . . 10.6 mpt_? -54.48 -53.95 47.46 Favored 'General case' 0 N--CA 1.48 1.042 0 C-N-CA 124.435 1.094 . . . . 10.0 111.568 -178.553 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 84' ' ' VAL . . . . . . . . . . . . . 16.3 t -59.91 -49.98 81.85 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.772 0 C-N-CA 125.372 1.469 . . . . 10.0 111.101 178.682 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 85' ' ' LEU . . . . . . . . . . . . . 48.1 tp -60.49 -47.25 86.95 Favored 'General case' 0 N--CA 1.47 0.53 0 C-N-CA 126.089 1.756 . . . . 10.0 113.092 179.881 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 86' ' ' TRP . . . . . . . . . . . . . 68.9 m95 -60.7 -41.89 96.08 Favored 'General case' 0 N--CA 1.468 0.425 0 O-C-N 121.431 -0.793 . . . . 10.0 112.869 174.748 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 87' ' ' ARG . . . . . . . . . . . . . 14.8 tpt180 -58.33 -47.5 83.56 Favored 'General case' 0 N--CA 1.472 0.657 0 CA-C-O 118.571 -0.728 . . . . 10.0 111.636 169.748 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 88' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -50.96 -56.39 12.63 Favored 'General case' 0 N--CA 1.474 0.754 0 C-N-CA 125.363 1.465 . . . . 10.0 111.705 174.518 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 89' ' ' ILE . . . . . . . . . . . . . 81.4 mt -54.42 -51.18 51.68 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.539 0 C-N-CA 125.743 1.617 . . . . 10.0 110.796 176.29 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 40.4 ttmt -58.22 -46.07 86.55 Favored 'General case' 0 N--CA 1.472 0.671 0 C-N-CA 124.665 1.186 . . . . 10.0 113.164 177.744 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 68.5 mm-40 -52.52 -51.92 57.16 Favored 'General case' 0 N--CA 1.471 0.608 0 CA-C-N 119.526 1.057 . . . . 10.0 111.57 172.007 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 92' ' ' ILE . . . . . . . . . . . . . 96.7 mt -55.85 -54.46 26.26 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.948 0 C-N-CA 123.906 0.882 . . . . 10.0 111.474 174.581 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 93' ' ' CYS . . . . . . . . . . . . . 84.3 m -56.99 -43.75 82.04 Favored 'General case' 0 CA--C 1.547 0.85 0 C-N-CA 124.742 1.217 . . . . 10.0 112.642 -179.797 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 21.9 t -64.4 -45.37 87.9 Favored 'General case' 0 N--CA 1.475 0.784 0 C-N-CA 126.118 1.767 . . . . 10.0 113.561 174.208 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . -58.76 -49.48 77.47 Favored 'General case' 0 CA--C 1.541 0.634 0 C-N-CA 125.364 1.466 . . . . 10.0 113.67 -174.442 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 96' ' ' LYS . . . . . . . . . . . . . 18.8 ptpt -61.77 139.19 58.36 Favored 'General case' 0 N--CA 1.477 0.904 0 C-N-CA 124.3 1.04 . . . . 10.0 112.373 177.34 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 97' ' ' HIS . . . . . . . . . . . . . 2.9 m-70 -134.21 170.1 16.19 Favored 'General case' 0 N--CA 1.478 0.928 0 C-N-CA 126.523 1.929 . . . . 10.0 111.405 -178.481 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 98' ' ' CYS . . . . . . . . . . . . . 56.3 m -125.01 137.96 54.23 Favored 'General case' 0 N--CA 1.47 0.536 0 C-N-CA 125.009 1.324 . . . . 10.0 112.397 -174.545 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 99' ' ' ASP . . . . . . . . . . . . . 31.8 t70 -57.03 -44.89 83.33 Favored 'General case' 0 N--CA 1.472 0.66 0 C-N-CA 125.658 1.583 . . . . 10.0 113.8 -172.883 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 100' ' ' PHE . . . . . . . . . . . . . 9.0 p90 -71.95 -11.93 61.01 Favored 'General case' 0 CA--C 1.544 0.742 0 N-CA-C 115.166 1.543 . . . . 10.0 115.166 -176.065 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 101' ' ' TRP . . . . . . . . . . . . . 40.6 m0 . . . . . 0 N--CA 1.474 0.74 0 CA-C-N 119.915 1.234 . . . . 10.0 112.247 -179.422 . . . . . . . . 0 0 . 1 . 013 nuclear build core ' A' A ' 5' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER . . . . . 0 CA--C 1.552 1.043 0 CA-C-O 122.232 1.015 . . . . 10.0 110.424 . . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 6.4 ptp180 -77.34 159.55 77.37 Favored Pre-proline 0 CA--C 1.543 0.702 0 C-N-CA 127.811 2.444 . . . . 10.0 111.342 178.384 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 7' ' ' PRO . . . . . . . . . . . . . 20.4 Cg_endo -55.69 120.94 9.08 Favored 'Trans proline' 0 CA--C 1.539 0.729 0 C-N-CA 122.618 2.212 . . . . 10.0 111.149 177.26 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . 118.96 -20.93 9.71 Favored Glycine 0 CA--C 1.539 1.555 0 C-N-CA 127.851 2.643 . . . . 10.0 113.418 -169.63 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -59.32 133.32 55.99 Favored 'General case' 0 CA--C 1.545 0.779 0 CA-C-N 119.433 1.616 . . . . 10.0 113.493 -171.072 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 10' ' ' PHE . . . . . . . . . . . . . 19.7 m-30 -58.35 141.25 51.81 Favored 'General case' 0 CA--C 1.541 0.631 0 C-N-CA 124.074 0.95 . . . . 10.0 111.929 170.775 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 55.6 mt -112.71 96.39 4.64 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.538 0 C-N-CA 125.643 1.577 . . . . 10.0 107.006 169.835 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 55.9 mtmt -92.47 118.46 30.99 Favored 'General case' 0 N--CA 1.472 0.656 0 C-N-CA 125.46 1.504 . . . . 10.0 110.245 -178.55 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 73.3 mt-30 -121.02 -43.61 2.44 Favored 'General case' 0 CA--C 1.539 0.546 0 C-N-CA 127.819 2.448 . . . . 10.0 111.526 -171.465 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . 85.21 55.22 2.66 Favored Glycine 0 CA--C 1.532 1.152 0 C-N-CA 125.968 1.747 . . . . 10.0 111.638 -171.055 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 51.3 ttm-85 -122.1 77.0 1.34 Allowed 'General case' 0 N--CA 1.471 0.584 0 C-N-CA 126.874 2.069 . . . . 10.0 109.269 -175.43 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 76.1 tttt -46.26 105.77 0.07 Allowed 'General case' 0 N--CA 1.475 0.793 0 C-N-CA 127.884 2.473 . . . . 10.0 112.752 -169.844 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 89.9 mt -77.63 171.79 14.39 Favored 'General case' 0 CA--C 1.543 0.679 0 C-N-CA 126.17 1.788 . . . . 10.0 112.878 -172.077 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 19.5 t0 -121.98 90.4 3.3 Favored 'General case' 0 CA--C 1.541 0.609 0 C-N-CA 125.898 1.679 . . . . 10.0 110.286 174.805 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . 74.8 mt -132.03 125.76 55.34 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.651 0 C-N-CA 127.355 2.262 . . . . 10.0 107.517 -179.78 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 24.6 t0 -83.76 83.69 7.83 Favored 'General case' 0 N--CA 1.469 0.516 0 CA-C-O 121.916 0.865 . . . . 10.0 110.432 172.143 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 21' ' ' PHE . . . . . . . . . . . . . 89.2 m-85 -60.95 -41.47 96.34 Favored 'General case' 0 CA--C 1.539 0.54 0 C-N-CA 126.487 1.915 . . . . 10.0 111.82 172.539 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 127.31 162.55 11.18 Favored Glycine 0 CA--C 1.533 1.216 0 C-N-CA 127.578 2.513 . . . . 10.0 110.469 -169.663 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -43.98 -54.86 5.05 Favored 'General case' 0 CA--C 1.546 0.812 0 N-CA-C 115.33 1.604 . . . . 10.0 115.33 -169.892 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 58.1 mt-10 -60.87 -52.13 66.36 Favored 'General case' 0 N--CA 1.474 0.736 0 C-N-CA 124.089 0.956 . . . . 10.0 111.864 177.809 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -66.97 -38.19 92.64 Favored Glycine 0 CA--C 1.528 0.849 0 C-N-CA 124.539 1.066 . . . . 10.0 114.149 -175.719 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 90.4 m-20 -56.61 -50.77 71.02 Favored 'General case' 0 CA--C 1.536 0.404 0 C-N-CA 125.485 1.514 . . . . 10.0 110.315 172.839 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 99.4 mtt180 -62.86 -47.26 84.11 Favored 'General case' 0 N--CA 1.475 0.82 0 C-N-CA 124.599 1.16 . . . . 10.0 111.395 177.938 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 28' ' ' TYR . . . . . . . . . . . . . 77.2 t80 -58.11 -53.59 56.5 Favored 'General case' 0 CA--C 1.538 0.507 0 C-N-CA 124.725 1.21 . . . . 10.0 112.296 177.731 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 29' ' ' TYR . . . . . . . . . . . . . 81.8 t80 -57.13 -51.43 69.33 Favored 'General case' 0 CA--C 1.535 0.382 0 C-N-CA 124.763 1.225 . . . . 10.0 112.153 175.846 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -50.28 -35.29 26.64 Favored 'General case' 0 CA--C 1.546 0.807 0 N-CA-C 113.794 1.035 . . . . 10.0 113.794 178.005 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -86.08 -29.76 23.12 Favored 'General case' 0 CA--C 1.552 1.032 0 C-N-CA 125.681 1.593 . . . . 10.0 115.118 175.739 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 32' ' ' ASN . . . . . . . . . . . . . 55.5 m-80 -123.61 10.9 9.12 Favored 'General case' 0 CA--C 1.548 0.891 0 N-CA-C 116.541 2.052 . . . . 10.0 116.541 -169.036 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 33' ' ' TYR . . . . . . . . . . . . . 45.9 p90 -48.05 -34.05 8.97 Favored 'General case' 0 N--CA 1.478 0.936 0 C-N-CA 126.448 1.899 . . . . 10.0 115.059 -176.602 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 34' ' ' TRP . . . . . . . . . . . . . 63.7 p-90 -50.14 -33.91 20.54 Favored 'General case' 0 CA--C 1.546 0.813 0 C-N-CA 126.017 1.727 . . . . 10.0 114.521 174.306 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 29.9 mt-30 -70.22 -37.7 75.07 Favored 'General case' 0 N--CA 1.473 0.691 0 C-N-CA 124.829 1.252 . . . . 10.0 113.789 177.103 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 36' ' ' PHE . . . . . . . . . . . . . 69.8 m-85 -72.8 156.11 90.17 Favored Pre-proline 0 CA--C 1.543 0.7 0 C-N-CA 126.04 1.736 . . . . 10.0 114.57 -169.468 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 90.5 Cg_endo -73.48 128.06 12.38 Favored 'Trans proline' 0 CA--C 1.539 0.755 0 C-N-CA 123.314 2.676 . . . . 10.0 110.355 169.503 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 9.7 m-20 -85.47 -32.68 22.13 Favored 'General case' 0 N--CA 1.472 0.632 0 C-N-CA 123.956 0.902 . . . . 10.0 111.003 173.312 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . -134.54 172.16 22.0 Favored Glycine 0 CA--C 1.536 1.402 0 C-N-CA 127.165 2.317 . . . . 10.0 110.917 169.448 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 40' ' ' ILE . . . . . . . . . . . . . 98.5 mt -136.39 124.71 35.76 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.83 0 C-N-CA 124.646 1.178 . . . . 10.0 108.906 175.112 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 41' ' ' TYR . . . . . . . . . . . . . 71.9 t80 -72.76 101.47 3.11 Favored 'General case' 0 CA--C 1.535 0.377 0 C-N-CA 124.958 1.303 . . . . 10.0 110.136 174.132 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 42' ' ' TYR . . . . . . . . . . . . . 59.9 t80 -152.78 145.78 24.53 Favored 'General case' 0 N--CA 1.469 0.492 0 C-N-CA 124.055 0.942 . . . . 10.0 111.592 176.551 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 50.6 mt-10 -128.0 86.56 2.49 Favored 'General case' 0 N--CA 1.47 0.532 0 C-N-CA 125.839 1.656 . . . . 10.0 110.238 -177.503 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . -103.23 37.84 3.52 Favored Glycine 0 CA--C 1.533 1.159 0 C-N-CA 125.075 1.321 . . . . 10.0 113.964 -176.687 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 45' ' ' CYS . . . . . . . . . . . . . 70.7 m -135.42 119.73 17.85 Favored 'General case' 0 CA--C 1.541 0.609 0 C-N-CA 125.772 1.629 . . . . 10.0 110.725 -176.287 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 38.7 p -136.87 -59.32 0.71 Allowed 'General case' 0 N--CA 1.472 0.642 0 C-N-CA 126.081 1.752 . . . . 10.0 112.146 178.639 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 12.0 pt-20 -147.1 158.79 44.05 Favored 'General case' 0 CA--C 1.542 0.667 0 C-N-CA 126.138 1.775 . . . . 10.0 112.908 -178.376 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -56.01 -19.72 13.75 Favored 'General case' 0 CA--C 1.546 0.824 0 N-CA-C 116.143 1.905 . . . . 10.0 116.143 -174.755 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 72.8 m-20 -61.96 -31.65 72.01 Favored 'General case' 0 CA--C 1.546 0.813 0 C-N-CA 123.979 0.912 . . . . 10.0 113.152 170.401 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . 47.1 t -70.28 130.35 34.59 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.865 0 C-N-CA 124.672 1.189 . . . . 10.0 109.898 170.477 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 73.5 p -112.72 170.85 7.9 Favored 'General case' 0 N--CA 1.477 0.903 0 C-N-CA 125.533 1.533 . . . . 10.0 111.532 -176.998 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 62.6 tttm -57.56 -54.55 45.53 Favored 'General case' 0 N--CA 1.473 0.718 0 O-C-N 121.619 -0.676 . . . . 10.0 112.189 176.803 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 12.8 pt-20 -53.0 -43.11 66.23 Favored 'General case' 0 CA--C 1.543 0.678 0 N-CA-C 113.009 0.744 . . . . 10.0 113.009 176.717 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 54' ' ' MET . . . . . . . . . . . . . 59.3 mtm -61.47 -44.98 96.13 Favored 'General case' 0 CA--C 1.538 0.508 0 C-N-CA 123.416 0.686 . . . . 10.0 112.826 171.925 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 3.0 tt -55.64 -59.55 4.69 Favored 'General case' 0 N--CA 1.47 0.569 0 CA-C-N 119.528 1.058 . . . . 10.0 111.358 173.656 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 56' ' ' VAL . . . . . 0.462 HG22 ' HA ' ' A' ' 94' ' ' SER . 18.5 t -54.25 -48.37 67.08 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.909 0 CA-C-N 119.364 0.984 . . . . 10.0 111.151 -177.543 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 57' ' ' THR . . . . . . . . . . . . . 57.9 m -61.3 -53.74 52.85 Favored 'General case' 0 N--CA 1.476 0.829 0 C-N-CA 124.942 1.297 . . . . 10.0 112.284 178.802 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 96.7 p -60.89 -36.94 80.53 Favored 'General case' 0 N--CA 1.472 0.673 0 O-C-N 121.491 -0.756 . . . . 10.0 112.642 177.915 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 59' ' ' CYS . . . . . . . . . . . . . 43.4 t -57.79 -51.35 69.94 Favored 'General case' 0 CA--C 1.536 0.441 0 C-N-CA 125.744 1.617 . . . . 10.0 112.646 170.843 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 60' ' ' VAL . . . . . . . . . . . . . 43.8 t -54.46 -49.11 67.86 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.071 0 CA-C-N 119.402 1.001 . . . . 10.0 111.466 172.29 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 61' ' ' ASN . . . . . . . . . . . . . 15.8 m-80 -59.45 -44.03 93.04 Favored 'General case' 0 CA--C 1.545 0.759 0 C-N-CA 124.155 0.982 . . . . 10.0 113.147 176.887 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -61.1 -49.15 78.47 Favored 'General case' 0 CA--C 1.539 0.549 0 C-N-CA 124.042 0.937 . . . . 10.0 111.11 173.823 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 63' ' ' THR . . . . . . . . . . . . . 33.1 m -52.95 -50.27 64.39 Favored 'General case' 0 N--CA 1.472 0.644 0 C-N-CA 125.779 1.632 . . . . 10.0 111.751 176.9 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 64' ' ' GLN . . . . . . . . . . . . . 79.6 mt-30 -48.36 -60.66 2.49 Favored 'General case' 0 CA--C 1.538 0.506 0 C-N-CA 125.433 1.493 . . . . 10.0 112.015 172.512 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -58.6 -38.65 78.43 Favored 'General case' 0 CA--C 1.546 0.815 0 C-N-CA 125.351 1.461 . . . . 10.0 114.165 -179.387 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -71.71 -38.61 70.5 Favored 'General case' 0 CA--C 1.542 0.659 0 N-CA-C 114.459 1.281 . . . . 10.0 114.459 179.68 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 67' ' ' ASN . . . . . . . . . . . . . 11.4 m-80 -117.82 40.14 3.19 Favored 'General case' 0 CA--C 1.546 0.811 0 C-N-CA 124.242 1.017 . . . . 10.0 112.411 -169.824 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 68' ' ' GLN . . . . . . . . . . . . . 37.8 mm-40 -48.96 -52.88 22.33 Favored 'General case' 0 N--CA 1.475 0.776 0 C-N-CA 126.394 1.878 . . . . 10.0 113.086 -179.69 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -53.18 -42.99 66.77 Favored 'General case' 0 CA--C 1.542 0.656 0 C-N-CA 125.222 1.409 . . . . 10.0 113.191 179.849 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 28.6 mm-40 -59.33 -58.68 7.54 Favored 'General case' 0 CA--C 1.537 0.444 0 C-N-CA 124.243 1.017 . . . . 10.0 110.725 175.473 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 71' ' ' PHE . . . . . . . . . . . . . 37.2 m-85 -58.32 -28.91 65.47 Favored 'General case' 0 CA--C 1.54 0.58 0 N-CA-C 114.468 1.284 . . . . 10.0 114.468 -178.956 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 72.7 m -62.32 -56.11 21.58 Favored 'General case' 0 N--CA 1.473 0.708 0 CA-C-N 119.105 0.866 . . . . 10.0 112.497 169.841 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 73' ' ' ARG . . . . . . . . . . . . . 68.4 mtm-85 -63.98 -58.6 6.22 Favored 'General case' 0 N--CA 1.478 0.934 0 C-N-CA 124.133 0.973 . . . . 10.0 112.556 178.808 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 54.9 mm-40 -74.49 43.67 0.19 Allowed 'General case' 0 CA--C 1.545 0.771 0 C-N-CA 128.688 2.795 . . . . 10.0 113.418 -169.418 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 41.6 ttmt -155.31 -62.47 0.12 Allowed 'General case' 0 N--CA 1.468 0.459 0 C-N-CA 129.582 3.153 . . . . 10.0 109.458 -173.747 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 76' ' ' GLN . . . . . . . . . . . . . 89.7 mm-40 -65.37 -52.79 51.24 Favored 'General case' 0 CA--C 1.54 0.558 0 C-N-CA 125.433 1.493 . . . . 10.0 111.472 173.617 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 25.1 t70 -71.5 -39.17 71.0 Favored 'General case' 0 CA--C 1.542 0.641 0 C-N-CA 124.181 0.993 . . . . 10.0 112.561 176.724 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 6.9 t -132.31 97.74 4.2 Favored 'General case' 0 N--CA 1.471 0.625 0 C-N-CA 124.599 1.159 . . . . 10.0 113.321 -175.676 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 88.1 tttt -60.39 -46.72 88.96 Favored 'General case' 0 N--CA 1.475 0.798 0 C-N-CA 125.942 1.697 . . . . 10.0 112.029 173.72 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -52.51 -49.51 64.65 Favored 'General case' 0 N--CA 1.472 0.67 0 C-N-CA 125.893 1.677 . . . . 10.0 111.145 177.736 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 81' ' ' HIS . . . . . . . . . . . . . 6.4 t-160 -51.42 -48.41 62.69 Favored 'General case' 0 N--CA 1.466 0.373 0 C-N-CA 125.591 1.556 . . . . 10.0 113.55 -170.691 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 82' ' ' GLN . . . . . . . . . . . . . 61.4 mm-40 -44.37 -60.84 1.75 Allowed 'General case' 0 N--CA 1.477 0.886 0 C-N-CA 125.055 1.342 . . . . 10.0 113.742 -178.011 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 83' ' ' ARG . . . . . . . . . . . . . 61.0 mtm180 -52.35 -51.75 57.11 Favored 'General case' 0 N--CA 1.479 1.001 0 C-N-CA 124.572 1.149 . . . . 10.0 112.223 -178.129 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 84' ' ' VAL . . . . . . . . . . . . . 3.4 t -59.71 -54.2 37.91 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.721 0 C-N-CA 125.893 1.677 . . . . 10.0 110.969 178.026 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 85' ' ' LEU . . . . . . . . . . . . . 33.8 tp -56.11 -51.75 66.79 Favored 'General case' 0 CA--C 1.536 0.406 0 C-N-CA 126.126 1.77 . . . . 10.0 112.312 -179.832 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 86' ' ' TRP . . . . . . . . . . . . . 58.6 m95 -59.48 -43.43 93.29 Favored 'General case' 0 N--CA 1.467 0.422 0 N-CA-C 113.446 0.906 . . . . 10.0 113.446 175.952 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 87' ' ' ARG . . . . . . . . . . . . . 14.4 tpt180 -56.67 -50.57 71.7 Favored 'General case' 0 N--CA 1.472 0.654 0 CA-C-N 118.864 0.756 . . . . 10.0 111.297 171.538 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 88' ' ' LEU . . . . . . . . . . . . . 1.2 tt -57.13 -52.79 63.88 Favored 'General case' 0 CA--C 1.544 0.736 0 C-N-CA 124.392 1.077 . . . . 10.0 112.011 177.573 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 89' ' ' ILE . . . . . . . . . . . . . 84.2 mt -49.94 -51.35 16.85 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.733 0 C-N-CA 124.86 1.264 . . . . 10.0 110.519 172.998 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 85.4 tttt -59.56 -46.44 88.9 Favored 'General case' 0 N--CA 1.471 0.585 0 CA-C-O 118.004 -0.998 . . . . 10.0 113.224 177.104 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 59.4 mm-40 -52.88 -50.68 63.36 Favored 'General case' 0 N--CA 1.474 0.774 0 CA-C-N 120.16 1.345 . . . . 10.0 111.811 172.33 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 92' ' ' ILE . . . . . . . . . . . . . 96.1 mt -57.54 -56.08 17.41 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.869 0 C-N-CA 124.225 1.01 . . . . 10.0 111.349 174.309 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 93' ' ' CYS . . . . . . . . . . . . . 68.9 m -57.3 -40.15 77.24 Favored 'General case' 0 CA--C 1.548 0.873 0 C-N-CA 124.701 1.2 . . . . 10.0 112.678 -179.774 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 94' ' ' SER . . . . . 0.462 ' HA ' HG22 ' A' ' 56' ' ' VAL . 16.1 t -64.06 -40.22 95.8 Favored 'General case' 0 N--CA 1.474 0.743 0 C-N-CA 126.445 1.898 . . . . 10.0 113.596 173.368 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . -59.15 -34.69 72.38 Favored 'General case' 0 CA--C 1.544 0.742 0 C-N-CA 124.001 0.92 . . . . 10.0 113.193 176.928 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 96' ' ' LYS . . . . . . . . . . . . . 28.1 mttm -55.59 130.25 42.23 Favored 'General case' 0 N--CA 1.478 0.969 0 C-N-CA 125.036 1.334 . . . . 10.0 111.949 177.573 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 97' ' ' HIS . . . . . 0.441 ' HA ' ' CZ3' ' A' ' 101' ' ' TRP . 26.6 m80 -131.88 154.5 49.14 Favored 'General case' 0 N--CA 1.473 0.722 0 C-N-CA 125.753 1.621 . . . . 10.0 111.908 175.181 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 98' ' ' CYS . . . . . . . . . . . . . 37.7 m -110.54 132.69 53.97 Favored 'General case' 0 CA--C 1.539 0.556 0 C-N-CA 124.934 1.294 . . . . 10.0 111.04 173.579 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 99' ' ' ASP . . . . . . . . . . . . . 32.2 t70 -58.29 -39.04 78.25 Favored 'General case' 0 N--CA 1.474 0.729 0 C-N-CA 124.835 1.254 . . . . 10.0 113.433 -177.801 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 100' ' ' PHE . . . . . . . . . . . . . 5.3 p90 -68.26 -11.32 59.18 Favored 'General case' 0 CA--C 1.545 0.769 0 N-CA-C 115.492 1.664 . . . . 10.0 115.492 -178.458 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 101' ' ' TRP . . . . . 0.441 ' CZ3' ' HA ' ' A' ' 97' ' ' HIS . 33.2 m0 . . . . . 0 N--CA 1.472 0.638 0 CA-C-N 120.038 1.29 . . . . 10.0 112.7 -177.993 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 5' ' ' ASN . . . . . . . . . . . . . 55.1 t30 . . . . . 0 CA--C 1.549 0.911 0 CA-C-O 122.343 1.068 . . . . 10.0 112.259 . . . . . . . . . 0 0 . 1 . 014 nuclear build core ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 15.4 ptt-85 -78.46 150.84 77.11 Favored Pre-proline 0 N--CA 1.474 0.737 0 C-N-CA 128.156 2.582 . . . . 10.0 111.977 176.683 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 7' ' ' PRO . . . . . . . . . . . . . 45.7 Cg_endo -61.51 118.49 5.37 Favored 'Trans proline' 0 CA--C 1.539 0.728 0 C-N-CA 122.53 2.153 . . . . 10.0 110.14 175.208 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . 113.77 -10.68 23.29 Favored Glycine 0 CA--C 1.539 1.539 0 C-N-CA 126.515 2.007 . . . . 10.0 113.94 -169.779 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -62.26 130.77 46.88 Favored 'General case' 0 CA--C 1.544 0.738 0 CA-C-N 119.602 1.701 . . . . 10.0 112.067 -179.633 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 10' ' ' PHE . . . . . . . . . . . . . 28.2 m-85 -62.27 151.42 36.47 Favored 'General case' 0 CA--C 1.54 0.559 0 C-N-CA 123.466 0.706 . . . . 10.0 112.073 172.988 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 71.8 mt -121.14 115.45 46.76 Favored 'Isoleucine or valine' 0 C--O 1.236 0.368 0 N-CA-C 106.594 -1.632 . . . . 10.0 106.594 169.612 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 57.4 mtmt -117.6 85.83 2.41 Favored 'General case' 0 N--CA 1.471 0.612 0 C-N-CA 126.282 1.833 . . . . 10.0 109.767 -175.514 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 35.8 mt-30 -76.82 -30.9 56.57 Favored 'General case' 0 CA--C 1.541 0.599 0 C-N-CA 126.518 1.927 . . . . 10.0 111.15 171.664 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . 87.47 62.56 1.47 Allowed Glycine 0 CA--C 1.529 0.964 0 C-N-CA 125.314 1.435 . . . . 10.0 110.229 -174.915 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 37.3 ttp85 -128.39 106.87 9.3 Favored 'General case' 0 N--CA 1.47 0.552 0 C-N-CA 126.865 2.066 . . . . 10.0 110.262 -169.703 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 75.4 tttt -69.87 104.96 2.63 Favored 'General case' 0 N--CA 1.473 0.693 0 C-N-CA 125.68 1.592 . . . . 10.0 110.761 -178.172 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 86.8 mt -75.14 173.7 10.42 Favored 'General case' 0 CA--C 1.543 0.709 0 C-N-CA 125.724 1.61 . . . . 10.0 112.812 -177.449 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 19.5 t0 -126.2 93.32 3.78 Favored 'General case' 0 CA--C 1.541 0.628 0 C-N-CA 125.852 1.661 . . . . 10.0 110.087 172.758 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . 88.7 mt -132.62 134.52 58.61 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.719 0 C-N-CA 127.44 2.296 . . . . 10.0 108.34 -179.121 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 24.4 t0 -85.23 102.43 13.32 Favored 'General case' 0 CA--C 1.538 0.508 0 CA-C-O 121.727 0.775 . . . . 10.0 109.594 169.361 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 21' ' ' PHE . . . . . . . . . . . . . 74.0 m-85 -81.9 -31.42 31.42 Favored 'General case' 0 CA--C 1.542 0.637 0 C-N-CA 126.907 2.083 . . . . 10.0 111.774 170.363 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 119.18 155.45 9.8 Favored Glycine 0 CA--C 1.533 1.184 0 C-N-CA 127.849 2.643 . . . . 10.0 109.754 -169.554 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -41.33 -56.08 2.55 Favored 'General case' 0 CA--C 1.548 0.891 0 N-CA-C 115.546 1.684 . . . . 10.0 115.546 -169.695 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 40.3 tt0 -60.72 -46.8 89.03 Favored 'General case' 0 CA--C 1.544 0.729 0 C-N-CA 125.026 1.33 . . . . 10.0 112.433 178.464 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -68.38 -40.19 87.13 Favored Glycine 0 CA--C 1.533 1.177 0 C-N-CA 125.258 1.408 . . . . 10.0 114.249 179.582 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 92.2 m-20 -55.25 -49.61 71.58 Favored 'General case' 0 CA--C 1.535 0.383 0 C-N-CA 126.253 1.821 . . . . 10.0 110.436 173.897 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 94.4 mtt-85 -60.46 -45.81 92.36 Favored 'General case' 0 N--CA 1.474 0.749 0 C-N-CA 124.845 1.258 . . . . 10.0 111.769 175.917 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 28' ' ' TYR . . . . . . . . . . . . . 73.4 t80 -59.7 -53.37 58.73 Favored 'General case' 0 CA--C 1.536 0.442 0 C-N-CA 123.945 0.898 . . . . 10.0 112.343 177.805 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 29' ' ' TYR . . . . . . . . . . . . . 79.5 t80 -56.05 -52.72 63.25 Favored 'General case' 0 CA--C 1.535 0.386 0 C-N-CA 124.145 0.978 . . . . 10.0 112.006 175.494 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -50.45 -32.8 18.88 Favored 'General case' 0 CA--C 1.546 0.809 0 N-CA-C 114.209 1.188 . . . . 10.0 114.209 178.686 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -88.75 -28.63 20.38 Favored 'General case' 0 CA--C 1.551 1.003 0 C-N-CA 125.741 1.616 . . . . 10.0 115.068 176.236 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 32' ' ' ASN . . . . . . . . . . . . . 55.7 m-80 -122.97 7.63 9.28 Favored 'General case' 0 CA--C 1.549 0.911 0 N-CA-C 116.289 1.959 . . . . 10.0 116.289 -169.101 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 33' ' ' TYR . . . . . . . . . . . . . 45.6 p90 -45.57 -34.21 3.23 Favored 'General case' 0 N--CA 1.476 0.859 0 C-N-CA 127.417 2.287 . . . . 10.0 115.505 -176.589 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 34' ' ' TRP . . . . . . . . . . . . . 63.3 p-90 -51.94 -34.31 41.35 Favored 'General case' 0 CA--C 1.546 0.8 0 C-N-CA 126.012 1.725 . . . . 10.0 114.497 175.532 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 31.1 mt-30 -67.84 -42.53 81.29 Favored 'General case' 0 N--CA 1.475 0.799 0 C-N-CA 124.21 1.004 . . . . 10.0 112.833 176.225 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 36' ' ' PHE . . . . . . . . . . . . . 76.4 m-85 -69.97 154.61 94.51 Favored Pre-proline 0 CA--C 1.542 0.663 0 C-N-CA 126.547 1.939 . . . . 10.0 114.086 -169.741 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 65.8 Cg_endo -72.9 153.13 52.85 Favored 'Trans proline' 0 CA--C 1.539 0.77 0 C-N-CA 123.024 2.482 . . . . 10.0 109.835 169.021 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 4.1 p30 -115.49 -29.04 6.63 Favored 'General case' 0 N--CA 1.474 0.729 0 C-N-CA 123.9 0.88 . . . . 10.0 111.492 169.882 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . -122.91 166.55 15.29 Favored Glycine 0 CA--C 1.539 1.558 0 C-N-CA 125.477 1.513 . . . . 10.0 110.907 168.36 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 40' ' ' ILE . . . . . . . . . . . . . 97.3 mt -138.71 125.41 25.47 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.956 0 C-N-CA 125.041 1.337 . . . . 10.0 108.492 171.941 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 41' ' ' TYR . . . . . . . . . . . . . 89.7 t80 -74.37 117.18 15.89 Favored 'General case' 0 CA--C 1.536 0.433 0 C-N-CA 124.262 1.025 . . . . 10.0 110.001 169.933 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 42' ' ' TYR . . . . . . . . . . . . . 67.8 t80 -152.9 156.24 38.58 Favored 'General case' 0 CA--C 1.542 0.64 0 C-N-CA 124.715 1.206 . . . . 10.0 111.408 179.591 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 46.5 mt-10 -124.8 95.46 4.52 Favored 'General case' 0 CA--C 1.539 0.546 0 C-N-CA 125.826 1.65 . . . . 10.0 110.072 -177.568 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . -104.91 -64.76 0.66 Allowed Glycine 0 CA--C 1.53 0.997 0 C-N-CA 125.225 1.393 . . . . 10.0 113.838 -170.897 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 45' ' ' CYS . . . . . . . . . . . . . 64.8 m -57.62 117.37 4.13 Favored 'General case' 0 CA--C 1.544 0.748 0 C-N-CA 125.264 1.426 . . . . 10.0 112.001 -178.103 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 23.3 t -140.76 -60.19 0.51 Allowed 'General case' 0 N--CA 1.472 0.64 0 C-N-CA 125.594 1.558 . . . . 10.0 111.981 -175.488 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 11.2 pt-20 -142.53 156.58 45.14 Favored 'General case' 0 N--CA 1.472 0.638 0 C-N-CA 125.074 1.35 . . . . 10.0 112.716 178.963 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -51.84 -31.82 29.27 Favored 'General case' 0 CA--C 1.544 0.721 0 C-N-CA 126.261 1.825 . . . . 10.0 115.265 -175.683 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 79.3 m-20 -64.36 -29.37 70.45 Favored 'General case' 0 CA--C 1.544 0.732 0 C-N-CA 124.767 1.227 . . . . 10.0 113.63 177.737 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . 64.5 t -65.19 111.3 1.3 Allowed 'Isoleucine or valine' 0 N--CA 1.477 0.879 0 C-N-CA 124.498 1.119 . . . . 10.0 109.175 172.365 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 72.3 p -85.0 174.84 9.44 Favored 'General case' 0 N--CA 1.479 1.019 0 C-N-CA 124.545 1.138 . . . . 10.0 112.029 175.187 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 88.2 tttt -60.57 -51.16 70.61 Favored 'General case' 0 N--CA 1.475 0.781 0 O-C-N 121.208 -0.932 . . . . 10.0 110.333 169.488 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 2.3 mp0 -47.51 -50.25 23.89 Favored 'General case' 0 CA--C 1.538 0.483 0 C-N-CA 125.097 1.359 . . . . 10.0 111.792 176.276 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 54' ' ' MET . . . . . . . . . . . . . 95.7 mtp -56.55 -58.78 6.57 Favored 'General case' 0 CA--C 1.536 0.432 0 C-N-CA 124.32 1.048 . . . . 10.0 112.336 171.216 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 6.9 tt -56.62 -54.09 50.05 Favored 'General case' 0 N--CA 1.468 0.442 0 C-N-CA 123.965 0.906 . . . . 10.0 112.32 -174.192 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 62.7 t -56.58 -48.32 80.65 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.779 0 C-N-CA 125.672 1.589 . . . . 10.0 111.053 179.803 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 57' ' ' THR . . . . . . . . . . . . . 87.8 m -60.08 -51.44 69.61 Favored 'General case' 0 N--CA 1.478 0.95 0 C-N-CA 124.355 1.062 . . . . 10.0 111.862 176.459 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 69.5 m -60.21 -36.3 77.37 Favored 'General case' 0 N--CA 1.469 0.52 0 C-N-CA 124.204 1.002 . . . . 10.0 112.845 176.58 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 59' ' ' CYS . . . . . . . . . . . . . 28.7 t -59.07 -50.2 74.97 Favored 'General case' 0 CA--C 1.539 0.521 0 C-N-CA 125.163 1.385 . . . . 10.0 112.648 170.751 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 60' ' ' VAL . . . . . . . . . . . . . 47.1 t -55.2 -49.35 72.9 Favored 'Isoleucine or valine' 0 N--CA 1.479 1.003 0 C-N-CA 123.818 0.847 . . . . 10.0 111.24 172.33 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 61' ' ' ASN . . . . . . . . . . . . . 15.7 m-80 -59.32 -44.0 92.62 Favored 'General case' 0 CA--C 1.545 0.759 0 C-N-CA 124.4 1.08 . . . . 10.0 113.103 176.5 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -61.48 -47.55 85.16 Favored 'General case' 0 CA--C 1.536 0.427 0 C-N-CA 124.151 0.981 . . . . 10.0 111.212 174.74 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 63' ' ' THR . . . . . . . . . . . . . 27.1 m -54.89 -48.98 72.3 Favored 'General case' 0 N--CA 1.472 0.669 0 C-N-CA 124.963 1.305 . . . . 10.0 111.513 175.465 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 64' ' ' GLN . . . . . . . . . . . . . 77.1 mt-30 -51.52 -64.11 0.92 Allowed 'General case' 0 CA--C 1.538 0.506 0 C-N-CA 124.813 1.245 . . . . 10.0 111.5 170.687 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -51.58 -44.02 62.65 Favored 'General case' 0 CA--C 1.544 0.75 0 C-N-CA 126.073 1.749 . . . . 10.0 113.882 -177.994 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -66.87 -28.62 68.48 Favored 'General case' 0 CA--C 1.543 0.685 0 C-N-CA 125.136 1.374 . . . . 10.0 114.381 177.652 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 67' ' ' ASN . . . . . . . . . . . . . 18.6 m-80 -132.12 38.32 3.51 Favored 'General case' 0 CA--C 1.547 0.832 0 CA-C-N 119.641 1.11 . . . . 10.0 113.117 -170.435 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 68' ' ' GLN . . . . . . . . . . . . . 16.4 mm-40 -54.38 -52.85 60.38 Favored 'General case' 0 N--CA 1.475 0.805 0 C-N-CA 125.025 1.33 . . . . 10.0 113.008 -173.162 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -57.9 -46.56 84.75 Favored 'General case' 0 CA--C 1.543 0.681 0 C-N-CA 124.728 1.211 . . . . 10.0 112.741 178.99 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 33.8 mm-40 -54.27 -48.52 71.12 Favored 'General case' 0 N--CA 1.472 0.67 0 C-N-CA 125.085 1.354 . . . . 10.0 111.697 -179.942 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 71' ' ' PHE . . . . . . . . . . . . . 52.7 m-85 -64.01 -61.14 2.46 Favored 'General case' 0 CA--C 1.536 0.433 0 C-N-CA 123.598 0.759 . . . . 10.0 111.877 171.183 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 70.2 m -52.11 -47.49 65.28 Favored 'General case' 0 N--CA 1.474 0.757 0 C-N-CA 125.95 1.7 . . . . 10.0 114.584 -169.816 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 73' ' ' ARG . . . . . . . . . . . . . 29.8 mmt85 -60.81 -47.6 85.62 Favored 'General case' 0 N--CA 1.476 0.842 0 C-N-CA 124.512 1.125 . . . . 10.0 112.466 -179.953 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 14.5 mt-10 -68.52 -46.69 68.88 Favored 'General case' 0 N--CA 1.471 0.599 0 C-N-CA 123.89 0.876 . . . . 10.0 113.341 175.474 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 40.2 ttpt -45.31 -31.53 1.63 Allowed 'General case' 0 N--CA 1.481 1.122 0 C-N-CA 127.844 2.457 . . . . 10.0 115.093 -175.243 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 76' ' ' GLN . . . . . . . . . . . . . 77.6 mm-40 -51.71 -35.14 41.79 Favored 'General case' 0 CA--C 1.545 0.77 0 C-N-CA 125.589 1.556 . . . . 10.0 113.828 174.921 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 31.8 t70 -136.72 -36.78 0.69 Allowed 'General case' 0 N--CA 1.475 0.775 0 C-N-CA 125.633 1.573 . . . . 10.0 114.029 -173.504 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -77.42 53.68 1.07 Allowed 'General case' 0 CA--C 1.547 0.829 0 C-N-CA 127.363 2.265 . . . . 10.0 113.309 -171.176 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 16.4 tppt? -56.75 -51.38 69.09 Favored 'General case' 0 N--CA 1.476 0.831 0 C-N-CA 126.514 1.926 . . . . 10.0 112.969 -174.22 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 38.2 tp -57.44 -45.39 84.74 Favored 'General case' 0 N--CA 1.469 0.507 0 C-N-CA 124.38 1.072 . . . . 10.0 111.828 175.326 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 81' ' ' HIS . . . . . . . . . . . . . 14.1 t-160 -56.86 -53.45 57.74 Favored 'General case' 0 N--CA 1.469 0.505 0 CA-C-O 118.185 -0.912 . . . . 10.0 111.35 175.049 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 82' ' ' GLN . . . . . . . . . . . . . 95.6 mm-40 -48.93 -56.41 8.93 Favored 'General case' 0 N--CA 1.473 0.691 0 C-N-CA 124.432 1.093 . . . . 10.0 112.071 176.093 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 83' ' ' ARG . . . . . . . . . . . . . 51.4 mtp180 -48.21 -57.14 6.34 Favored 'General case' 0 N--CA 1.479 1.023 0 C-N-CA 125.491 1.516 . . . . 10.0 112.735 178.277 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 84' ' ' VAL . . . . . . . . . . . . . 56.3 t -61.73 -51.48 72.16 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.872 0 C-N-CA 125.611 1.565 . . . . 10.0 111.237 178.834 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 85' ' ' LEU . . . . . . . . . . . . . 49.5 tp -55.71 -47.55 76.67 Favored 'General case' 0 N--CA 1.469 0.502 0 C-N-CA 126.203 1.801 . . . . 10.0 112.813 -179.495 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 86' ' ' TRP . . . . . . . . . . . . . 63.2 m95 -62.17 -43.38 98.95 Favored 'General case' 0 N--CA 1.468 0.439 0 N-CA-C 113.786 1.032 . . . . 10.0 113.786 176.7 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 87' ' ' ARG . . . . . . . . . . . . . 24.2 tpt180 -55.45 -46.81 76.76 Favored 'General case' 0 N--CA 1.479 0.979 0 C-N-CA 123.836 0.855 . . . . 10.0 111.467 170.204 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 88' ' ' LEU . . . . . . . . . . . . . 1.9 tt -57.47 -57.14 13.99 Favored 'General case' 0 CA--C 1.546 0.796 0 C-N-CA 124.712 1.205 . . . . 10.0 112.087 174.781 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 89' ' ' ILE . . . . . . . . . . . . . 86.9 mt -50.88 -49.16 27.6 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.818 0 C-N-CA 125.038 1.335 . . . . 10.0 110.913 176.167 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 24.1 tptm -58.23 -45.96 86.8 Favored 'General case' 0 N--CA 1.47 0.539 0 C-N-CA 124.344 1.058 . . . . 10.0 112.905 176.971 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 21.4 mm-40 -56.58 -47.27 79.93 Favored 'General case' 0 N--CA 1.473 0.681 0 CA-C-N 119.624 1.102 . . . . 10.0 112.579 172.433 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 92' ' ' ILE . . . . . . . . . . . . . 97.4 mt -56.22 -54.12 31.48 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.922 0 C-N-CA 123.731 0.813 . . . . 10.0 110.997 172.987 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 93' ' ' CYS . . . . . . . . . . . . . 93.5 m -58.23 -46.43 85.92 Favored 'General case' 0 CA--C 1.545 0.76 0 C-N-CA 123.752 0.821 . . . . 10.0 112.351 179.031 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 21.6 t -52.65 -41.53 63.86 Favored 'General case' 0 N--CA 1.476 0.855 0 C-N-CA 125.724 1.61 . . . . 10.0 113.472 175.567 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . -60.87 -27.01 67.81 Favored 'General case' 0 CA--C 1.548 0.903 0 N-CA-C 114.229 1.196 . . . . 10.0 114.229 177.994 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 96' ' ' LYS . . . . . . . . . . . . . 43.2 mttm -69.05 106.26 2.72 Favored 'General case' 0 N--CA 1.475 0.823 0 C-N-CA 125.266 1.426 . . . . 10.0 111.559 -177.887 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 97' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -123.64 148.51 46.38 Favored 'General case' 0 N--CA 1.469 0.511 0 C-N-CA 126.291 1.836 . . . . 10.0 114.132 -173.978 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 98' ' ' CYS . . . . . . . . . . . . . 32.8 m -113.83 135.32 54.09 Favored 'General case' 0 N--CA 1.47 0.551 0 C-N-CA 124.615 1.166 . . . . 10.0 112.429 -177.289 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 99' ' ' ASP . . . . . . . . . . . . . 32.9 t70 -59.58 -38.65 81.77 Favored 'General case' 0 CA--C 1.542 0.652 0 C-N-CA 125.021 1.328 . . . . 10.0 113.063 177.536 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 100' ' ' PHE . . . . . . . . . . . . . 5.8 p90 -66.74 -15.23 63.4 Favored 'General case' 0 CA--C 1.543 0.695 0 N-CA-C 115.534 1.679 . . . . 10.0 115.534 -176.631 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 101' ' ' TRP . . . . . . . . . . . . . 31.4 m0 . . . . . 0 N--CA 1.473 0.675 0 CA-C-N 120.02 1.282 . . . . 10.0 114.035 -174.114 . . . . . . . . 0 0 . 1 . 015 nuclear build core ' A' A ' 5' ' ' ASN . . . . . . . . . . . . . 1.0 OUTLIER . . . . . 0 CA--C 1.544 0.735 0 CA-C-O 122.826 1.298 . . . . 10.0 109.03 . . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 24.8 ptt-85 -86.4 146.37 41.95 Favored Pre-proline 0 N--CA 1.474 0.773 0 C-N-CA 127.925 2.49 . . . . 10.0 112.069 176.869 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 7' ' ' PRO . . . . . . . . . . . . . 73.4 Cg_exo -49.12 117.59 2.94 Favored 'Trans proline' 0 CA--C 1.54 0.799 0 C-N-CA 123.789 2.993 . . . . 10.0 113.087 176.42 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . 115.44 -20.37 13.82 Favored Glycine 0 CA--C 1.538 1.478 0 C-N-CA 127.252 2.358 . . . . 10.0 113.968 -170.681 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -59.86 134.99 57.55 Favored 'General case' 0 CA--C 1.544 0.732 0 CA-C-N 119.505 1.652 . . . . 10.0 113.19 -172.11 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 10' ' ' PHE . . . . . . . . . . . . . 21.1 m-85 -60.91 148.4 39.79 Favored 'General case' 0 CA--C 1.54 0.588 0 C-N-CA 123.598 0.759 . . . . 10.0 112.874 173.547 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 68.4 mt -118.67 98.23 6.21 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.519 0 C-N-CA 125.952 1.701 . . . . 10.0 106.562 169.623 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 85.6 mttt -93.1 97.5 10.72 Favored 'General case' 0 N--CA 1.473 0.701 0 C-N-CA 125.153 1.381 . . . . 10.0 110.383 -177.2 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 27.0 mt-30 -90.18 -16.1 30.16 Favored 'General case' 0 N--CA 1.472 0.667 0 C-N-CA 124.449 1.1 . . . . 10.0 112.486 174.548 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . 78.02 7.47 87.56 Favored Glycine 0 CA--C 1.537 1.439 0 C-N-CA 125.027 1.299 . . . . 10.0 114.429 -178.535 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 42.7 ttp180 -70.4 125.04 25.68 Favored 'General case' 0 N--CA 1.471 0.581 0 C-N-CA 126.711 2.004 . . . . 10.0 111.109 178.478 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 59.5 tttm -72.0 107.72 4.86 Favored 'General case' 0 N--CA 1.473 0.705 0 C-N-CA 124.83 1.252 . . . . 10.0 110.322 173.174 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 95.4 mt -75.28 172.75 11.88 Favored 'General case' 0 CA--C 1.544 0.713 0 C-N-CA 125.767 1.627 . . . . 10.0 112.538 178.233 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 19.1 t0 -123.09 91.06 3.41 Favored 'General case' 0 CA--C 1.541 0.625 0 C-N-CA 125.97 1.708 . . . . 10.0 110.191 175.141 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . 70.9 mt -133.14 126.32 52.91 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.634 0 C-N-CA 127.241 2.216 . . . . 10.0 107.804 -178.058 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 23.2 t0 -83.96 86.18 7.22 Favored 'General case' 0 CA--C 1.537 0.473 0 CA-C-O 122.026 0.917 . . . . 10.0 110.223 170.037 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 21' ' ' PHE . . . . . . . . . . . . . 86.3 m-85 -62.08 -46.4 89.24 Favored 'General case' 0 CA--C 1.539 0.543 0 C-N-CA 125.999 1.72 . . . . 10.0 110.944 170.32 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 132.7 162.65 10.34 Favored Glycine 0 CA--C 1.532 1.141 0 C-N-CA 127.359 2.409 . . . . 10.0 110.36 -169.578 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -42.96 -55.75 3.61 Favored 'General case' 0 CA--C 1.545 0.787 0 N-CA-C 115.414 1.635 . . . . 10.0 115.414 -169.805 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 8.4 mm-40 -64.12 -50.13 69.47 Favored 'General case' 0 N--CA 1.473 0.704 0 O-C-N 121.508 -0.745 . . . . 10.0 112.112 178.401 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -64.51 -39.6 96.97 Favored Glycine 0 CA--C 1.529 0.945 0 C-N-CA 124.291 0.948 . . . . 10.0 114.002 -177.058 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 89.3 m-20 -56.56 -51.14 69.73 Favored 'General case' 0 CA--C 1.535 0.392 0 C-N-CA 125.904 1.682 . . . . 10.0 110.251 172.937 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 69.3 mtm180 -63.72 -43.2 97.24 Favored 'General case' 0 N--CA 1.474 0.767 0 C-N-CA 123.599 0.76 . . . . 10.0 112.03 177.836 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 28' ' ' TYR . . . . . . . . . . . . . 77.0 t80 -59.54 -53.47 57.75 Favored 'General case' 0 CA--C 1.537 0.474 0 C-N-CA 123.996 0.918 . . . . 10.0 111.772 176.784 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 29' ' ' TYR . . . . . . . . . . . . . 77.4 t80 -57.12 -52.25 66.04 Favored 'General case' 0 CA--C 1.536 0.415 0 C-N-CA 124.752 1.221 . . . . 10.0 112.14 177.216 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -49.68 -36.6 25.59 Favored 'General case' 0 CA--C 1.547 0.836 0 N-CA-C 113.952 1.093 . . . . 10.0 113.952 176.813 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -85.36 -20.58 29.7 Favored 'General case' 0 CA--C 1.551 1.0 0 N-CA-C 115.219 1.563 . . . . 10.0 115.219 176.734 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 32' ' ' ASN . . . . . . . . . . . . . 60.9 m-80 -131.53 8.44 4.59 Favored 'General case' 0 N--CA 1.477 0.893 0 N-CA-C 116.65 2.093 . . . . 10.0 116.65 -169.185 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 33' ' ' TYR . . . . . . . . . . . . . 50.2 p90 -50.77 -29.64 12.06 Favored 'General case' 0 N--CA 1.478 0.971 0 C-N-CA 125.887 1.675 . . . . 10.0 115.269 -174.532 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 34' ' ' TRP . . . . . . . . . . . . . 64.8 p-90 -50.98 -34.64 29.85 Favored 'General case' 0 CA--C 1.545 0.781 0 C-N-CA 125.959 1.704 . . . . 10.0 114.335 173.335 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 31.3 mt-30 -70.46 -36.74 74.08 Favored 'General case' 0 N--CA 1.474 0.774 0 C-N-CA 124.676 1.191 . . . . 10.0 113.825 177.675 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 36' ' ' PHE . . . . . . . . . . . . . 78.0 m-85 -74.34 157.94 85.89 Favored Pre-proline 0 CA--C 1.546 0.812 0 C-N-CA 126.71 2.004 . . . . 10.0 114.976 -169.297 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 60.4 Cg_endo -73.37 156.55 50.4 Favored 'Trans proline' 0 CA--C 1.541 0.872 0 C-N-CA 123.719 2.946 . . . . 10.0 111.524 169.661 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 11.9 t70 -109.86 -38.28 5.4 Favored 'General case' 0 N--CA 1.473 0.676 0 C-N-CA 125.726 1.61 . . . . 10.0 111.03 171.232 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . -128.23 175.29 18.57 Favored Glycine 0 CA--C 1.535 1.312 0 C-N-CA 126.006 1.765 . . . . 10.0 111.993 169.795 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 40' ' ' ILE . . . . . . . . . . . . . 96.6 mt -135.32 125.61 43.78 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.679 0 C-N-CA 125.335 1.454 . . . . 10.0 108.524 174.611 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 41' ' ' TYR . . . . . . . . . . . . . 88.8 t80 -72.52 97.74 2.16 Favored 'General case' 0 CA--C 1.535 0.398 0 C-N-CA 124.222 1.009 . . . . 10.0 109.586 169.98 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 42' ' ' TYR . . . . . . . . . . . . . 63.4 t80 -150.73 133.31 15.68 Favored 'General case' 0 CA--C 1.534 0.362 0 C-N-CA 123.819 0.848 . . . . 10.0 111.337 174.675 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 48.7 mt-10 -128.97 64.98 1.45 Allowed 'General case' 0 CA--C 1.54 0.574 0 C-N-CA 125.747 1.619 . . . . 10.0 110.222 -175.764 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . -60.98 -44.85 97.67 Favored Glycine 0 CA--C 1.533 1.208 0 C-N-CA 125.22 1.391 . . . . 10.0 113.237 177.323 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 45' ' ' CYS . . . . . . . . . . . . . 56.7 m -61.11 135.49 57.78 Favored 'General case' 0 CA--C 1.541 0.605 0 C-N-CA 126.102 1.761 . . . . 10.0 113.757 179.404 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 22.8 t -147.3 -47.23 0.17 Allowed 'General case' 0 N--CA 1.473 0.675 0 C-N-CA 126.343 1.857 . . . . 10.0 111.218 176.907 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 11.4 pt-20 -137.06 158.53 44.25 Favored 'General case' 0 CA--C 1.542 0.641 0 C-N-CA 126.577 1.951 . . . . 10.0 111.852 179.71 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -52.61 -25.65 11.3 Favored 'General case' 0 CA--C 1.546 0.79 0 C-N-CA 126.202 1.801 . . . . 10.0 115.594 -175.206 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 74.6 m-20 -61.49 -30.78 70.83 Favored 'General case' 0 CA--C 1.544 0.738 0 C-N-CA 124.466 1.106 . . . . 10.0 113.27 174.07 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . 61.6 t -71.19 108.16 2.7 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.833 0 C-N-CA 124.359 1.064 . . . . 10.0 109.752 172.392 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 82.6 p -89.67 174.56 7.67 Favored 'General case' 0 N--CA 1.475 0.782 0 C-N-CA 124.78 1.232 . . . . 10.0 112.246 179.753 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 85.0 tttt -58.88 -57.04 14.79 Favored 'General case' 0 N--CA 1.472 0.628 0 C-N-CA 123.705 0.802 . . . . 10.0 111.434 169.807 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 12.2 pt-20 -51.79 -40.19 59.94 Favored 'General case' 0 N--CA 1.474 0.745 0 C-N-CA 124.412 1.085 . . . . 10.0 113.056 177.365 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 54' ' ' MET . . . . . . . . . . . . . 88.6 mtp -60.13 -54.17 49.13 Favored 'General case' 0 N--CA 1.47 0.573 0 C-N-CA 123.399 0.68 . . . . 10.0 111.492 169.331 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 8.3 tt -56.27 -49.74 73.38 Favored 'General case' 0 CA--C 1.533 0.309 0 CA-C-O 117.819 -1.086 . . . . 10.0 113.163 -178.977 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 56' ' ' VAL . . . . . 0.487 HG22 ' HA ' ' A' ' 94' ' ' SER . 22.6 t -55.58 -52.22 49.69 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.076 0 CA-C-N 120.431 1.468 . . . . 10.0 111.052 -177.455 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 57' ' ' THR . . . . . . . . . . . . . 31.8 m -59.99 -50.44 73.75 Favored 'General case' 0 N--CA 1.473 0.721 0 C-N-CA 124.976 1.311 . . . . 10.0 111.636 177.681 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 21.7 m -62.32 -38.4 89.29 Favored 'General case' 0 N--CA 1.472 0.627 0 C-N-CA 124.088 0.955 . . . . 10.0 112.569 179.676 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 59' ' ' CYS . . . . . . . . . . . . . 39.5 t -59.56 -50.05 75.41 Favored 'General case' 0 CA--C 1.534 0.355 0 C-N-CA 126.631 1.972 . . . . 10.0 112.253 173.427 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 60' ' ' VAL . . . . . . . . . . . . . 52.0 t -53.95 -50.01 56.14 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.028 0 CA-C-N 119.17 0.895 . . . . 10.0 111.37 171.74 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 61' ' ' ASN . . . . . . . . . . . . . 20.9 m-80 -58.79 -46.11 88.31 Favored 'General case' 0 CA--C 1.545 0.773 0 C-N-CA 124.58 1.152 . . . . 10.0 113.192 176.46 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -61.0 -47.58 85.82 Favored 'General case' 0 CA--C 1.537 0.479 0 C-N-CA 124.177 0.991 . . . . 10.0 111.271 175.179 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 63' ' ' THR . . . . . . . . . . . . . 31.0 m -55.18 -49.03 72.92 Favored 'General case' 0 N--CA 1.471 0.605 0 C-N-CA 125.287 1.435 . . . . 10.0 111.532 177.215 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 64' ' ' GLN . . . . . . . . . . . . . 66.5 mt-30 -49.56 -60.35 2.94 Favored 'General case' 0 N--CA 1.47 0.559 0 C-N-CA 124.821 1.248 . . . . 10.0 112.006 170.865 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -56.7 -42.05 78.43 Favored 'General case' 0 CA--C 1.544 0.724 0 C-N-CA 125.633 1.573 . . . . 10.0 113.817 -178.735 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -70.21 -46.5 64.41 Favored 'General case' 0 CA--C 1.54 0.574 0 C-N-CA 124.792 1.237 . . . . 10.0 113.879 -179.856 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 67' ' ' ASN . . . . . . . . . . . . . 9.7 m-80 -109.22 38.87 2.19 Favored 'General case' 0 CA--C 1.544 0.726 0 C-N-CA 124.445 1.098 . . . . 10.0 112.199 -169.692 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 68' ' ' GLN . . . . . . . . . . . . . 57.1 mt-30 -51.35 -48.07 62.57 Favored 'General case' 0 N--CA 1.471 0.622 0 C-N-CA 125.534 1.533 . . . . 10.0 112.912 -178.256 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -56.48 -46.33 80.49 Favored 'General case' 0 CA--C 1.543 0.684 0 C-N-CA 125.003 1.321 . . . . 10.0 113.32 179.724 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 8.1 mm-40 -56.07 -55.26 35.1 Favored 'General case' 0 N--CA 1.473 0.697 0 C-N-CA 124.986 1.314 . . . . 10.0 111.234 177.805 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 71' ' ' PHE . . . . . . . . . . . . . 25.2 m-85 -59.62 -50.58 73.33 Favored 'General case' 0 CA--C 1.536 0.441 0 C-N-CA 123.95 0.9 . . . . 10.0 112.0 176.603 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 70.4 m -54.61 -50.71 67.43 Favored 'General case' 0 N--CA 1.474 0.763 0 C-N-CA 125.206 1.403 . . . . 10.0 113.231 -179.487 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 73' ' ' ARG . . . . . . . . . . . . . 26.1 mtm105 -58.25 -53.55 57.06 Favored 'General case' 0 N--CA 1.475 0.818 0 C-N-CA 124.551 1.14 . . . . 10.0 112.41 177.017 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 42.1 mm-40 -69.45 -59.55 2.91 Favored 'General case' 0 CA--C 1.541 0.612 0 C-N-CA 124.28 1.032 . . . . 10.0 113.742 -175.896 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 85.5 tttt -46.17 -35.05 4.74 Favored 'General case' 0 N--CA 1.481 1.12 0 C-N-CA 127.65 2.38 . . . . 10.0 116.167 -169.701 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 76' ' ' GLN . . . . . . . . . . . . . 87.4 mm-40 -54.98 -27.61 45.35 Favored 'General case' 0 CA--C 1.546 0.802 0 C-N-CA 124.871 1.268 . . . . 10.0 114.252 176.999 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 32.2 t70 -135.76 -40.31 0.7 Allowed 'General case' 0 N--CA 1.475 0.778 0 C-N-CA 125.502 1.521 . . . . 10.0 113.549 -178.907 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -78.59 61.38 2.92 Favored 'General case' 0 CA--C 1.545 0.763 0 C-N-CA 127.714 2.406 . . . . 10.0 113.288 -169.993 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 88.0 tttt -53.75 -55.03 29.91 Favored 'General case' 0 N--CA 1.476 0.873 0 C-N-CA 126.826 2.05 . . . . 10.0 112.869 -176.853 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -55.58 -49.97 71.33 Favored 'General case' 0 N--CA 1.472 0.647 0 C-N-CA 124.95 1.3 . . . . 10.0 111.08 177.502 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 81' ' ' HIS . . . . . . . . . . . . . 13.0 t-160 -53.36 -54.0 42.94 Favored 'General case' 0 N--CA 1.468 0.451 0 C-N-CA 124.132 0.973 . . . . 10.0 112.147 -179.65 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 82' ' ' GLN . . . . . . . . . . . . . 93.7 mm-40 -50.87 -54.73 21.42 Favored 'General case' 0 N--CA 1.472 0.653 0 CA-C-N 118.891 0.769 . . . . 10.0 112.389 179.182 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 83' ' ' ARG . . . . . . . . . . . . . 3.6 tmt_? -50.59 -55.02 18.18 Favored 'General case' 0 N--CA 1.474 0.771 0 C-N-CA 125.043 1.337 . . . . 10.0 111.745 179.81 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 84' ' ' VAL . . . . . . . . . . . . . 44.7 t -60.43 -51.95 67.07 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.975 0 C-N-CA 126.085 1.754 . . . . 10.0 111.475 177.553 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 85' ' ' LEU . . . . . . . . . . . . . 50.3 tp -55.22 -49.19 72.59 Favored 'General case' 0 CA--C 1.537 0.478 0 C-N-CA 126.112 1.765 . . . . 10.0 112.722 179.016 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 86' ' ' TRP . . . . . . . . . . . . . 71.7 m95 -61.09 -42.63 98.86 Favored 'General case' 0 N--CA 1.468 0.471 0 N-CA-C 113.663 0.986 . . . . 10.0 113.663 175.678 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 87' ' ' ARG . . . . . . . . . . . . . 13.8 tpt180 -55.88 -50.21 71.26 Favored 'General case' 0 N--CA 1.475 0.778 0 CA-C-N 118.591 0.632 . . . . 10.0 111.267 169.895 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 88' ' ' LEU . . . . . . . . . . . . . 2.2 tt -55.55 -52.37 63.96 Favored 'General case' 0 CA--C 1.544 0.747 0 C-N-CA 124.78 1.232 . . . . 10.0 111.958 176.38 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 89' ' ' ILE . . . . . . . . . . . . . 72.9 mt -50.39 -51.05 19.64 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.703 0 C-N-CA 124.813 1.245 . . . . 10.0 110.938 173.742 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 39.4 ttmt -59.75 -44.84 93.65 Favored 'General case' 0 N--CA 1.472 0.66 0 C-N-CA 124.068 0.947 . . . . 10.0 113.27 176.242 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 76.7 mm-40 -52.24 -50.1 62.69 Favored 'General case' 0 N--CA 1.474 0.727 0 CA-C-N 119.74 1.154 . . . . 10.0 111.803 171.061 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 92' ' ' ILE . . . . . . . . . . . . . 97.4 mt -58.28 -56.23 17.41 Favored 'Isoleucine or valine' 0 N--CA 1.479 0.976 0 CA-C-N 119.422 1.01 . . . . 10.0 111.463 174.274 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 93' ' ' CYS . . . . . . . . . . . . . 92.4 m -56.74 -43.21 80.47 Favored 'General case' 0 CA--C 1.545 0.755 0 C-N-CA 124.715 1.206 . . . . 10.0 112.898 -177.399 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 94' ' ' SER . . . . . 0.487 ' HA ' HG22 ' A' ' 56' ' ' VAL . 78.9 p -71.43 -37.56 71.44 Favored 'General case' 0 N--CA 1.475 0.822 0 N-CA-C 114.219 1.192 . . . . 10.0 114.219 174.372 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . -64.16 -52.08 60.77 Favored 'General case' 0 CA--C 1.541 0.602 0 C-N-CA 124.324 1.049 . . . . 10.0 113.24 177.63 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 96' ' ' LYS . . . . . . . . . . . . . 6.9 ptmm? -60.51 136.08 57.94 Favored 'General case' 0 N--CA 1.478 0.956 0 C-N-CA 123.871 0.869 . . . . 10.0 112.792 -174.055 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 97' ' ' HIS . . . . . . . . . . . . . 10.7 m80 -124.37 168.24 13.29 Favored 'General case' 0 N--CA 1.481 1.082 0 C-N-CA 126.5 1.92 . . . . 10.0 113.254 -172.185 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 98' ' ' CYS . . . . . . . . . . . . . 57.2 m -127.64 138.03 52.71 Favored 'General case' 0 CA--C 1.538 0.512 0 C-N-CA 126.213 1.805 . . . . 10.0 111.857 -179.479 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 99' ' ' ASP . . . . . . . . . . . . . 31.5 t70 -57.97 -45.15 87.17 Favored 'General case' 0 N--CA 1.472 0.642 0 C-N-CA 125.423 1.489 . . . . 10.0 113.697 -173.177 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 100' ' ' PHE . . . . . . . . . . . . . 9.3 p90 -72.18 -12.13 61.04 Favored 'General case' 0 CA--C 1.542 0.671 0 N-CA-C 115.231 1.567 . . . . 10.0 115.231 -175.379 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 101' ' ' TRP . . . . . . . . . . . . . 32.3 m0 . . . . . 0 N--CA 1.474 0.763 0 CA-C-N 119.995 1.271 . . . . 10.0 112.792 -176.937 . . . . . . . . 0 0 . 1 . 016 nuclear build core ' A' A ' 5' ' ' ASN . . . . . . . . . . . . . 49.2 t30 . . . . . 0 CA--C 1.55 0.952 0 CA-C-O 121.584 0.707 . . . . 10.0 111.804 . . . . . . . . . 0 0 . 1 . 016 nuclear build core ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 12.3 ptp180 -76.28 151.14 83.34 Favored Pre-proline 0 N--CA 1.477 0.888 0 C-N-CA 124.901 1.281 . . . . 10.0 111.745 171.3 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 7' ' ' PRO . . . . . . . . . . . . . 74.0 Cg_exo -48.84 121.12 6.15 Favored 'Trans proline' 0 CA--C 1.539 0.75 0 C-N-CA 123.403 2.735 . . . . 10.0 112.341 172.377 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . 112.4 -18.16 23.24 Favored Glycine 0 CA--C 1.538 1.477 0 C-N-CA 126.597 2.046 . . . . 10.0 114.462 -170.482 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -61.36 134.11 56.56 Favored 'General case' 0 CA--C 1.546 0.8 0 CA-C-N 119.609 1.704 . . . . 10.0 113.019 -174.055 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 10' ' ' PHE . . . . . . . . . . . . . 23.0 m-85 -61.54 150.84 34.74 Favored 'General case' 0 CA--C 1.542 0.669 0 C-N-CA 124.042 0.937 . . . . 10.0 112.884 175.027 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 81.6 mt -123.94 116.27 47.49 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.426 0 C-N-CA 125.8 1.64 . . . . 10.0 106.836 169.655 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 92.3 mttt -123.68 106.89 10.91 Favored 'General case' 0 N--CA 1.472 0.659 0 C-N-CA 126.496 1.918 . . . . 10.0 110.284 -172.918 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 34.3 mt-30 -120.55 -0.89 10.19 Favored 'General case' 0 CA--C 1.545 0.763 0 C-N-CA 128.097 2.559 . . . . 10.0 112.595 -169.972 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . 66.75 37.17 92.17 Favored Glycine 0 CA--C 1.535 1.306 0 C-N-CA 125.133 1.349 . . . . 10.0 112.786 -174.116 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 33.0 ttp85 -103.91 93.96 5.16 Favored 'General case' 0 N--CA 1.471 0.62 0 C-N-CA 126.192 1.797 . . . . 10.0 110.893 -171.476 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 72.6 tttt -64.32 124.08 20.8 Favored 'General case' 0 N--CA 1.473 0.7 0 C-N-CA 125.765 1.626 . . . . 10.0 110.17 174.217 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 2.7 pp -134.5 165.91 24.09 Favored 'General case' 0 N--CA 1.474 0.736 0 C-N-CA 124.734 1.214 . . . . 10.0 113.569 -174.494 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 22.3 t70 -100.08 106.94 18.73 Favored 'General case' 0 CA--C 1.543 0.707 0 C-N-CA 124.711 1.205 . . . . 10.0 113.261 -169.663 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . 73.4 mt -135.78 131.13 50.12 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.778 0 C-N-CA 127.43 2.292 . . . . 10.0 108.076 172.409 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 22.4 t0 -87.48 85.45 7.12 Favored 'General case' 0 N--CA 1.471 0.577 0 CA-C-O 121.982 0.896 . . . . 10.0 110.683 171.457 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 21' ' ' PHE . . . . . . . . . . . . . 79.6 m-85 -63.48 -41.74 98.57 Favored 'General case' 0 CA--C 1.541 0.598 0 C-N-CA 126.725 2.01 . . . . 10.0 112.008 172.796 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 130.76 159.28 9.56 Favored Glycine 0 CA--C 1.532 1.139 0 C-N-CA 127.479 2.466 . . . . 10.0 110.303 -169.582 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -42.21 -57.11 2.64 Favored 'General case' 0 CA--C 1.547 0.851 0 N-CA-C 115.398 1.629 . . . . 10.0 115.398 -169.739 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 46.9 mt-10 -63.61 -48.04 78.96 Favored 'General case' 0 N--CA 1.474 0.773 0 C-N-CA 124.221 1.008 . . . . 10.0 112.284 178.754 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -65.17 -39.26 96.06 Favored Glycine 0 CA--C 1.532 1.142 0 C-N-CA 124.539 1.066 . . . . 10.0 114.183 -179.368 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 91.0 m-20 -57.11 -52.14 66.48 Favored 'General case' 0 CA--C 1.534 0.364 0 C-N-CA 125.995 1.718 . . . . 10.0 110.212 173.752 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 80.2 mtp180 -58.92 -46.47 87.84 Favored 'General case' 0 N--CA 1.474 0.751 0 C-N-CA 125.056 1.342 . . . . 10.0 111.691 176.103 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 28' ' ' TYR . . . . . . . . . . . . . 79.8 t80 -59.22 -54.62 44.77 Favored 'General case' 0 CA--C 1.536 0.415 0 C-N-CA 124.403 1.081 . . . . 10.0 111.976 178.106 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 29' ' ' TYR . . . . . . . . . . . . . 87.1 t80 -56.32 -51.4 68.38 Favored 'General case' 0 CA--C 1.535 0.39 0 C-N-CA 124.319 1.048 . . . . 10.0 112.324 175.662 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -51.1 -34.03 28.73 Favored 'General case' 0 CA--C 1.546 0.797 0 N-CA-C 113.678 0.992 . . . . 10.0 113.678 178.954 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -88.23 -28.55 21.07 Favored 'General case' 0 CA--C 1.552 1.035 0 C-N-CA 125.836 1.654 . . . . 10.0 115.087 176.026 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 32' ' ' ASN . . . . . . . . . . . . . 52.2 m-80 -124.41 12.47 8.75 Favored 'General case' 0 CA--C 1.548 0.9 0 N-CA-C 116.263 1.949 . . . . 10.0 116.263 -169.231 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 33' ' ' TYR . . . . . . . . . . . . . 53.4 p90 -47.91 -34.68 9.37 Favored 'General case' 0 N--CA 1.476 0.859 0 C-N-CA 126.828 2.051 . . . . 10.0 114.957 -177.21 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 34' ' ' TRP . . . . . . . . . . . . . 66.5 p-90 -49.89 -33.95 18.78 Favored 'General case' 0 CA--C 1.545 0.765 0 C-N-CA 126.356 1.862 . . . . 10.0 114.388 176.112 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 32.1 mt-30 -68.97 -38.58 79.45 Favored 'General case' 0 N--CA 1.472 0.654 0 C-N-CA 124.634 1.174 . . . . 10.0 113.756 177.575 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 36' ' ' PHE . . . . . . . . . . . . . 72.5 m-85 -73.64 151.6 89.24 Favored Pre-proline 0 CA--C 1.545 0.764 0 C-N-CA 126.161 1.784 . . . . 10.0 115.2 -169.008 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 83.1 Cg_endo -74.76 116.74 4.7 Favored 'Trans proline' 0 CA--C 1.537 0.652 0 C-N-CA 123.692 2.928 . . . . 10.0 108.898 168.798 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 4.2 p30 -80.57 -30.3 37.0 Favored 'General case' 0 N--CA 1.473 0.687 0 O-C-N 121.353 -0.842 . . . . 10.0 111.764 173.877 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . -124.55 167.42 16.88 Favored Glycine 0 CA--C 1.536 1.355 0 C-N-CA 125.037 1.303 . . . . 10.0 111.742 169.194 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 40' ' ' ILE . . . . . . . . . . . . . 86.0 mt -138.66 125.19 25.25 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.764 0 C-N-CA 124.947 1.299 . . . . 10.0 108.442 172.509 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 41' ' ' TYR . . . . . . . . . . . . . 75.0 t80 -71.85 102.94 3.0 Favored 'General case' 0 CA--C 1.536 0.424 0 C-N-CA 123.695 0.798 . . . . 10.0 109.832 169.892 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 42' ' ' TYR . . . . . . . . . . . . . 87.4 t80 -156.61 137.56 13.51 Favored 'General case' 0 C--O 1.236 0.361 0 C-N-CA 124.878 1.271 . . . . 10.0 110.172 173.171 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 45.4 mt-10 -133.01 76.16 1.67 Allowed 'General case' 0 CA--C 1.54 0.558 0 C-N-CA 125.569 1.548 . . . . 10.0 110.494 -175.245 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . -72.48 -30.42 64.48 Favored Glycine 0 CA--C 1.535 1.293 0 C-N-CA 125.091 1.329 . . . . 10.0 114.235 -179.782 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 45' ' ' CYS . . . . . . . . . . . . . 74.7 m -58.29 121.14 10.04 Favored 'General case' 0 CA--C 1.543 0.688 0 C-N-CA 125.858 1.663 . . . . 10.0 112.796 -178.137 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 16.5 p -139.94 -59.47 0.55 Allowed 'General case' 0 N--CA 1.473 0.693 0 C-N-CA 126.189 1.796 . . . . 10.0 111.855 176.912 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 11.9 pt-20 -144.91 156.1 43.8 Favored 'General case' 0 N--CA 1.473 0.693 0 C-N-CA 125.679 1.592 . . . . 10.0 112.79 179.679 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -55.05 -23.02 18.02 Favored 'General case' 0 CA--C 1.543 0.704 0 N-CA-C 115.742 1.756 . . . . 10.0 115.742 -175.414 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 73.9 m-20 -59.57 -31.39 69.4 Favored 'General case' 0 CA--C 1.545 0.77 0 C-N-CA 123.774 0.83 . . . . 10.0 112.944 171.943 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . 60.4 t -67.84 109.88 1.75 Allowed 'Isoleucine or valine' 0 N--CA 1.474 0.758 0 C-N-CA 124.717 1.207 . . . . 10.0 109.345 169.89 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 41.9 p -80.7 172.01 14.3 Favored 'General case' 0 N--CA 1.475 0.784 0 C-N-CA 123.591 0.756 . . . . 10.0 111.513 174.452 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 83.8 tttt -60.53 -49.56 77.08 Favored 'General case' 0 N--CA 1.471 0.599 0 O-C-N 121.368 -0.832 . . . . 10.0 111.429 169.823 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 44.4 mt-10 -51.58 -47.77 63.39 Favored 'General case' 0 N--CA 1.473 0.705 0 C-N-CA 123.849 0.86 . . . . 10.0 112.216 175.756 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 54' ' ' MET . . . . . . . . . . . . . 94.8 mtp -55.29 -55.61 29.49 Favored 'General case' 0 N--CA 1.469 0.485 0 C-N-CA 124.098 0.959 . . . . 10.0 112.228 171.303 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 9.5 tt -58.54 -54.02 51.79 Favored 'General case' 0 N--CA 1.466 0.374 0 C-N-CA 123.954 0.901 . . . . 10.0 112.883 -177.746 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 29.3 t -58.87 -45.98 91.42 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.922 0 C-N-CA 124.034 0.934 . . . . 10.0 110.732 -177.238 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 57' ' ' THR . . . . . . . . . . . . . 61.4 m -57.62 -51.75 68.25 Favored 'General case' 0 N--CA 1.477 0.886 0 C-N-CA 124.367 1.067 . . . . 10.0 111.919 172.77 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 48.6 m -60.2 -40.93 91.81 Favored 'General case' 0 N--CA 1.474 0.75 0 C-N-CA 124.522 1.129 . . . . 10.0 112.683 179.057 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 59' ' ' CYS . . . . . . . . . . . . . 43.0 t -59.39 -50.24 74.74 Favored 'General case' 0 CA--C 1.536 0.436 0 C-N-CA 126.204 1.801 . . . . 10.0 112.381 172.991 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 60' ' ' VAL . . . . . . . . . . . . . 39.9 t -56.34 -43.84 78.26 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.95 0 C-N-CA 124.488 1.115 . . . . 10.0 111.785 172.638 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 61' ' ' ASN . . . . . . . . . . . . . 12.6 m-80 -61.31 -47.27 86.71 Favored 'General case' 0 CA--C 1.544 0.724 0 C-N-CA 124.414 1.086 . . . . 10.0 112.956 173.26 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -60.09 -46.5 89.4 Favored 'General case' 0 CA--C 1.537 0.473 0 C-N-CA 124.251 1.02 . . . . 10.0 111.496 175.968 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 63' ' ' THR . . . . . . . . . . . . . 30.9 m -55.04 -50.94 67.84 Favored 'General case' 0 N--CA 1.473 0.695 0 C-N-CA 125.264 1.425 . . . . 10.0 111.369 176.356 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 64' ' ' GLN . . . . . . . . . . . . . 42.2 mt-30 -51.21 -59.49 4.14 Favored 'General case' 0 CA--C 1.539 0.533 0 C-N-CA 124.222 1.009 . . . . 10.0 111.663 171.927 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -55.7 -42.85 75.83 Favored 'General case' 0 CA--C 1.544 0.727 0 C-N-CA 126.06 1.744 . . . . 10.0 113.971 -177.405 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -69.26 -34.95 75.56 Favored 'General case' 0 CA--C 1.544 0.716 0 C-N-CA 124.692 1.197 . . . . 10.0 113.984 178.543 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 67' ' ' ASN . . . . . . . . . . . . . 11.5 m-80 -122.68 41.09 3.53 Favored 'General case' 0 CA--C 1.548 0.899 0 C-N-CA 124.281 1.032 . . . . 10.0 112.568 -170.2 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 68' ' ' GLN . . . . . . . . . . . . . 61.4 mt-30 -55.63 -54.14 47.78 Favored 'General case' 0 N--CA 1.475 0.776 0 C-N-CA 125.398 1.479 . . . . 10.0 112.923 -174.468 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -55.89 -45.82 78.49 Favored 'General case' 0 CA--C 1.541 0.598 0 C-N-CA 124.828 1.251 . . . . 10.0 112.612 -179.677 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 21.7 mp0 -57.19 -54.58 45.13 Favored 'General case' 0 CA--C 1.537 0.47 0 C-N-CA 125.688 1.595 . . . . 10.0 111.381 -179.631 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 71' ' ' PHE . . . . . . . . . . . . . 47.2 m-85 -58.93 -53.17 61.38 Favored 'General case' 0 N--CA 1.468 0.451 0 C-N-CA 123.687 0.795 . . . . 10.0 112.264 174.043 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 32.2 t -52.11 -57.77 8.57 Favored 'General case' 0 N--CA 1.469 0.518 0 C-N-CA 125.352 1.461 . . . . 10.0 112.638 -177.357 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 73' ' ' ARG . . . . . . . . . . . . . 76.2 mtp85 -56.9 -49.08 76.66 Favored 'General case' 0 N--CA 1.476 0.833 0 C-N-CA 125.831 1.652 . . . . 10.0 112.664 179.942 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 50.9 tp10 -57.92 -55.24 37.43 Favored 'General case' 0 CA--C 1.543 0.682 0 C-N-CA 124.903 1.281 . . . . 10.0 111.913 177.654 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 61.3 tttm -58.4 -19.84 39.32 Favored 'General case' 0 N--CA 1.475 0.814 0 C-N-CA 127.115 2.166 . . . . 10.0 115.109 -176.707 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 76' ' ' GLN . . . . . . . . . . . . . 76.9 mm-40 -55.53 -36.09 66.39 Favored 'General case' 0 N--CA 1.476 0.858 0 CA-C-N 119.514 1.052 . . . . 10.0 113.175 172.966 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 31.8 t70 -126.01 -41.42 1.95 Allowed 'General case' 0 CA--C 1.542 0.66 0 C-N-CA 125.552 1.541 . . . . 10.0 113.056 -174.467 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 1.8 t -66.65 145.13 55.9 Favored 'General case' 0 CA--C 1.537 0.476 0 C-N-CA 125.451 1.5 . . . . 10.0 113.536 -175.798 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 65.4 tttm -121.33 -77.76 0.59 Allowed 'General case' 0 N--CA 1.476 0.844 0 C-N-CA 125.838 1.655 . . . . 10.0 111.944 -178.104 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 51.8 tp -56.3 -40.91 75.08 Favored 'General case' 0 N--CA 1.473 0.702 0 C-N-CA 124.801 1.241 . . . . 10.0 112.654 -177.83 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 81' ' ' HIS . . . . . . . . . . . . . 13.9 t-160 -49.78 -51.66 37.67 Favored 'General case' 0 N--CA 1.47 0.535 0 C-N-CA 123.916 0.887 . . . . 10.0 112.252 -178.523 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 82' ' ' GLN . . . . . . . . . . . . . 99.2 mm-40 -50.49 -54.39 22.59 Favored 'General case' 0 N--CA 1.472 0.634 0 C-N-CA 124.682 1.193 . . . . 10.0 112.118 177.999 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 83' ' ' ARG . . . . . . . . . . . . . 53.2 tpt85 -53.27 -47.22 69.3 Favored 'General case' 0 N--CA 1.477 0.9 0 C-N-CA 124.876 1.27 . . . . 10.0 112.973 -179.765 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 84' ' ' VAL . . . . . . . . . . . . . 25.2 t -67.27 -52.65 40.33 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.864 0 C-N-CA 125.959 1.703 . . . . 10.0 110.939 177.088 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 85' ' ' LEU . . . . . . . . . . . . . 56.1 tp -54.46 -51.32 65.35 Favored 'General case' 0 N--CA 1.467 0.422 0 C-N-CA 127.096 2.158 . . . . 10.0 112.559 -179.568 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 86' ' ' TRP . . . . . . . . . . . . . 73.7 m95 -60.72 -43.63 97.63 Favored 'General case' 0 N--CA 1.465 0.309 0 N-CA-C 113.456 0.91 . . . . 10.0 113.456 176.684 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 87' ' ' ARG . . . . . . . . . . . . . 13.8 tpt180 -54.23 -49.3 69.77 Favored 'General case' 0 N--CA 1.476 0.834 0 CA-C-N 118.981 0.809 . . . . 10.0 111.183 170.186 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 88' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -55.4 -51.26 67.44 Favored 'General case' 0 CA--C 1.545 0.752 0 C-N-CA 124.354 1.062 . . . . 10.0 112.145 175.851 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 89' ' ' ILE . . . . . . . . . . . . . 90.7 mt -52.61 -52.51 26.31 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.738 0 C-N-CA 124.683 1.193 . . . . 10.0 110.931 173.962 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 12.5 mptt -55.3 -48.31 74.28 Favored 'General case' 0 N--CA 1.476 0.832 0 CA-C-N 119.2 0.909 . . . . 10.0 113.057 174.871 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 62.5 mm-40 -54.22 -49.31 69.71 Favored 'General case' 0 N--CA 1.473 0.719 0 CA-C-N 119.462 1.028 . . . . 10.0 112.128 175.013 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 92' ' ' ILE . . . . . . . . . . . . . 96.7 mt -57.64 -52.71 54.08 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.863 0 C-N-CA 124.0 0.92 . . . . 10.0 111.364 173.629 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 93' ' ' CYS . . . . . . . . . . . . . 68.3 m -57.61 -41.13 80.64 Favored 'General case' 0 CA--C 1.546 0.824 0 C-N-CA 124.33 1.052 . . . . 10.0 112.689 179.72 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 33.1 t -60.05 -47.09 87.32 Favored 'General case' 0 N--CA 1.473 0.678 0 C-N-CA 126.373 1.869 . . . . 10.0 112.682 170.728 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . -60.52 -40.07 90.11 Favored 'General case' 0 CA--C 1.544 0.735 0 C-N-CA 125.425 1.49 . . . . 10.0 114.555 -175.218 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 96' ' ' LYS . . . . . . . . . . . . . 1.2 ptpm? -72.52 55.51 0.35 Allowed 'General case' 0 N--CA 1.485 1.321 0 C-N-CA 125.896 1.678 . . . . 10.0 113.948 -179.781 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 97' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -64.4 143.44 57.9 Favored 'General case' 0 N--CA 1.472 0.67 0 C-N-CA 126.889 2.076 . . . . 10.0 113.903 -179.173 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 98' ' ' CYS . . . . . . . . . . . . . 55.8 m -80.53 140.29 35.91 Favored 'General case' 0 CA--C 1.539 0.522 0 C-N-CA 123.635 0.774 . . . . 10.0 112.8 178.077 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 99' ' ' ASP . . . . . . . . . . . . . 32.1 t70 -62.48 -39.43 93.43 Favored 'General case' 0 CA--C 1.543 0.703 0 C-N-CA 124.866 1.266 . . . . 10.0 113.015 176.409 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 100' ' ' PHE . . . . . . . . . . . . . 7.0 p90 -69.15 -15.45 63.41 Favored 'General case' 0 CA--C 1.543 0.701 0 N-CA-C 115.449 1.648 . . . . 10.0 115.449 -177.12 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 101' ' ' TRP . . . . . . . . . . . . . 46.6 m0 . . . . . 0 N--CA 1.474 0.731 0 CA-C-N 119.917 1.235 . . . . 10.0 111.497 175.905 . . . . . . . . 0 0 . 1 . 017 nuclear build core ' A' A ' 5' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER . . . . . 0 CA--C 1.547 0.838 0 CA-C-O 121.829 0.823 . . . . 10.0 109.478 . . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 7.9 ptm180 -69.66 159.89 81.95 Favored Pre-proline 0 N--CA 1.477 0.883 0 C-N-CA 125.099 1.36 . . . . 10.0 112.631 174.632 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 7' ' ' PRO . . . . . . . . . . . . . 87.9 Cg_exo -47.61 122.78 7.29 Favored 'Trans proline' 0 CA--C 1.538 0.683 0 C-N-CA 123.608 2.872 . . . . 10.0 112.326 169.915 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . 115.75 -21.22 12.71 Favored Glycine 0 CA--C 1.537 1.459 0 C-N-CA 127.326 2.393 . . . . 10.0 113.69 -169.851 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -60.44 134.44 57.07 Favored 'General case' 0 CA--C 1.546 0.807 0 CA-C-N 119.465 1.632 . . . . 10.0 113.462 -172.117 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 10' ' ' PHE . . . . . . . . . . . . . 20.5 m-85 -60.86 148.96 37.62 Favored 'General case' 0 CA--C 1.542 0.638 0 C-N-CA 124.156 0.982 . . . . 10.0 113.262 174.742 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 66.1 mt -122.45 97.22 4.63 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.504 0 C-N-CA 126.118 1.767 . . . . 10.0 107.111 169.654 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 93.0 mttt -92.17 85.44 5.46 Favored 'General case' 0 N--CA 1.473 0.697 0 C-N-CA 125.049 1.34 . . . . 10.0 111.197 -176.407 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 27.2 mt-30 -76.94 -27.75 54.96 Favored 'General case' 0 N--CA 1.473 0.676 0 C-N-CA 123.624 0.77 . . . . 10.0 111.339 169.729 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . 76.88 17.42 79.86 Favored Glycine 0 CA--C 1.536 1.369 0 C-N-CA 125.044 1.307 . . . . 10.0 113.993 -179.052 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 38.6 ttp180 -69.77 132.31 45.89 Favored 'General case' 0 N--CA 1.47 0.574 0 C-N-CA 126.562 1.945 . . . . 10.0 110.727 176.29 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 73.6 tttt -77.27 99.53 5.53 Favored 'General case' 0 N--CA 1.473 0.698 0 C-N-CA 124.983 1.313 . . . . 10.0 110.691 178.287 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 90.7 mt -74.1 174.89 8.03 Favored 'General case' 0 CA--C 1.544 0.748 0 C-N-CA 126.014 1.726 . . . . 10.0 112.854 -178.783 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 19.2 t0 -125.4 93.84 3.98 Favored 'General case' 0 CA--C 1.542 0.635 0 C-N-CA 125.94 1.696 . . . . 10.0 110.337 174.789 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . 85.7 mt -134.37 134.69 54.71 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.693 0 C-N-CA 127.411 2.285 . . . . 10.0 108.602 -179.11 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 24.2 t0 -85.97 101.12 12.62 Favored 'General case' 0 CA--C 1.537 0.474 0 CA-C-O 121.823 0.821 . . . . 10.0 109.226 169.247 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 21' ' ' PHE . . . . . . . . . . . . . 82.3 m-85 -80.41 -36.86 33.2 Favored 'General case' 0 CA--C 1.539 0.548 0 C-N-CA 126.594 1.957 . . . . 10.0 111.521 171.82 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 124.15 165.71 12.3 Favored Glycine 0 CA--C 1.534 1.259 0 C-N-CA 127.463 2.459 . . . . 10.0 110.698 -169.731 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -48.58 -47.14 39.88 Favored 'General case' 0 CA--C 1.545 0.788 0 N-CA-C 115.266 1.58 . . . . 10.0 115.266 -170.195 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 35.3 mt-10 -62.68 -55.45 26.69 Favored 'General case' 0 N--CA 1.473 0.687 0 C-N-CA 125.82 1.648 . . . . 10.0 111.498 175.333 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -68.69 -36.86 83.74 Favored Glycine 0 CA--C 1.528 0.894 0 C-N-CA 125.031 1.3 . . . . 10.0 114.141 -173.793 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 91.3 m-20 -57.26 -51.15 70.52 Favored 'General case' 0 CA--C 1.536 0.409 0 C-N-CA 125.476 1.511 . . . . 10.0 109.997 173.799 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 77.2 mtt85 -59.98 -47.48 85.66 Favored 'General case' 0 N--CA 1.477 0.876 0 C-N-CA 124.369 1.067 . . . . 10.0 112.127 175.462 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 28' ' ' TYR . . . . . . . . . . . . . 75.5 t80 -59.36 -54.42 46.99 Favored 'General case' 0 CA--C 1.536 0.435 0 C-N-CA 124.246 1.019 . . . . 10.0 112.407 178.526 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 29' ' ' TYR . . . . . . . . . . . . . 77.1 t80 -56.63 -50.94 70.55 Favored 'General case' 0 CA--C 1.533 0.323 0 C-N-CA 124.692 1.197 . . . . 10.0 112.104 177.785 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -49.65 -31.59 11.27 Favored 'General case' 0 CA--C 1.547 0.836 0 N-CA-C 114.089 1.144 . . . . 10.0 114.089 176.545 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -92.26 -25.93 18.39 Favored 'General case' 0 CA--C 1.552 1.04 0 C-N-CA 126.086 1.754 . . . . 10.0 115.17 176.812 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 32' ' ' ASN . . . . . . . . . . . . . 57.7 m-80 -124.96 6.76 7.98 Favored 'General case' 0 N--CA 1.478 0.97 0 N-CA-C 116.238 1.94 . . . . 10.0 116.238 -169.314 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 33' ' ' TYR . . . . . . . . . . . . . 52.3 p90 -45.04 -36.18 3.37 Favored 'General case' 0 N--CA 1.477 0.886 0 C-N-CA 127.461 2.304 . . . . 10.0 115.375 -176.841 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 34' ' ' TRP . . . . . . . . . . . . . 62.5 p-90 -49.83 -35.25 22.34 Favored 'General case' 0 CA--C 1.546 0.804 0 C-N-CA 126.466 1.906 . . . . 10.0 114.688 176.628 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 32.0 mt-30 -70.2 -35.47 73.95 Favored 'General case' 0 N--CA 1.475 0.819 0 N-CA-C 114.244 1.202 . . . . 10.0 114.244 179.139 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 36' ' ' PHE . . . . . . . . . . . . . 76.8 m-85 -72.65 155.05 91.27 Favored Pre-proline 0 CA--C 1.544 0.749 0 C-N-CA 126.331 1.852 . . . . 10.0 115.341 -168.945 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 83.8 Cg_endo -73.41 135.15 21.84 Favored 'Trans proline' 0 CA--C 1.541 0.861 0 C-N-CA 123.492 2.795 . . . . 10.0 110.241 169.457 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 5.4 t70 -86.08 -37.15 19.16 Favored 'General case' 0 CA--C 1.541 0.633 0 C-N-CA 124.875 1.27 . . . . 10.0 111.381 171.615 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . -133.19 173.93 20.84 Favored Glycine 0 CA--C 1.531 1.082 0 C-N-CA 125.788 1.661 . . . . 10.0 112.161 173.273 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 40' ' ' ILE . . . . . . . . . . . . . 96.1 mt -135.84 123.82 36.56 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.575 0 C-N-CA 125.216 1.406 . . . . 10.0 108.32 175.887 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 41' ' ' TYR . . . . . . . . . . . . . 85.9 t80 -70.44 105.7 3.15 Favored 'General case' 0 CA--C 1.535 0.375 0 C-N-CA 124.907 1.283 . . . . 10.0 109.704 172.695 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 42' ' ' TYR . . . . . . . . . . . . . 61.3 t80 -152.47 144.12 23.51 Favored 'General case' 0 CA--C 1.538 0.482 0 C-N-CA 123.773 0.829 . . . . 10.0 111.934 179.263 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 53.2 mt-10 -132.71 84.07 2.12 Favored 'General case' 0 N--CA 1.471 0.614 0 C-N-CA 125.806 1.643 . . . . 10.0 110.362 -176.83 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . -84.19 -56.84 2.48 Favored Glycine 0 CA--C 1.534 1.23 0 C-N-CA 124.961 1.267 . . . . 10.0 113.624 -176.466 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 45' ' ' CYS . . . . . . . . . . . . . 20.0 m -63.46 141.9 58.59 Favored 'General case' 0 CA--C 1.54 0.586 0 C-N-CA 125.524 1.53 . . . . 10.0 114.14 -176.24 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 50.5 p -145.52 -52.61 0.27 Allowed 'General case' 0 N--CA 1.471 0.62 0 C-N-CA 126.769 2.027 . . . . 10.0 111.362 178.343 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 11.2 pt-20 -139.63 162.14 35.82 Favored 'General case' 0 CA--C 1.542 0.65 0 C-N-CA 126.822 2.049 . . . . 10.0 112.454 178.58 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -51.3 -28.51 12.24 Favored 'General case' 0 CA--C 1.545 0.771 0 C-N-CA 126.56 1.944 . . . . 10.0 115.769 -174.891 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 72.0 m-20 -62.2 -29.82 70.64 Favored 'General case' 0 CA--C 1.546 0.798 0 C-N-CA 124.516 1.126 . . . . 10.0 113.503 175.515 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . 59.4 t -69.95 112.33 4.66 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.882 0 C-N-CA 124.627 1.171 . . . . 10.0 109.75 172.97 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 34.5 p -90.24 172.94 8.43 Favored 'General case' 0 N--CA 1.478 0.959 0 C-N-CA 123.862 0.865 . . . . 10.0 112.321 -179.842 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 82.2 tttt -62.27 -48.38 80.17 Favored 'General case' 0 N--CA 1.472 0.648 0 O-C-N 121.411 -0.806 . . . . 10.0 111.679 169.765 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 44.7 mt-10 -52.6 -46.22 66.87 Favored 'General case' 0 N--CA 1.473 0.677 0 C-N-CA 124.157 0.983 . . . . 10.0 112.072 175.65 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 54' ' ' MET . . . . . . . . . . . . . 94.0 mtp -55.82 -58.81 6.29 Favored 'General case' 0 CA--C 1.536 0.439 0 C-N-CA 124.121 0.968 . . . . 10.0 111.832 169.975 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 9.7 tt -58.18 -54.23 49.37 Favored 'General case' 0 CA--C 1.535 0.383 0 C-N-CA 124.253 1.021 . . . . 10.0 113.37 -174.729 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 84.5 t -56.03 -48.78 78.34 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.918 0 C-N-CA 124.947 1.299 . . . . 10.0 110.627 -177.312 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 57' ' ' THR . . . . . . . . . . . . . 35.4 m -61.63 -49.14 77.77 Favored 'General case' 0 N--CA 1.476 0.87 0 C-N-CA 124.761 1.225 . . . . 10.0 111.822 175.817 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 49.3 m -60.7 -37.61 82.24 Favored 'General case' 0 N--CA 1.472 0.643 0 C-N-CA 124.206 1.003 . . . . 10.0 112.591 178.286 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 59' ' ' CYS . . . . . . . . . . . . . 31.6 t -58.12 -50.39 73.66 Favored 'General case' 0 CA--C 1.538 0.518 0 C-N-CA 125.951 1.7 . . . . 10.0 112.425 171.58 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 60' ' ' VAL . . . . . . . . . . . . . 50.6 t -56.31 -43.53 77.22 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.122 0 O-C-N 121.172 -0.955 . . . . 10.0 111.96 173.19 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 61' ' ' ASN . . . . . . . . . . . . . 19.2 m-80 -63.29 -46.5 86.46 Favored 'General case' 0 CA--C 1.544 0.739 0 C-N-CA 124.481 1.113 . . . . 10.0 112.967 174.43 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -60.65 -45.13 95.24 Favored 'General case' 0 CA--C 1.537 0.472 0 C-N-CA 124.554 1.141 . . . . 10.0 111.488 176.271 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 63' ' ' THR . . . . . . . . . . . . . 29.1 m -55.78 -48.59 75.05 Favored 'General case' 0 N--CA 1.472 0.632 0 C-N-CA 125.16 1.384 . . . . 10.0 111.558 177.072 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 64' ' ' GLN . . . . . . . . . . . . . 42.6 mt-30 -51.24 -59.22 4.44 Favored 'General case' 0 N--CA 1.469 0.487 0 C-N-CA 124.108 0.963 . . . . 10.0 111.666 171.463 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -56.36 -42.82 78.42 Favored 'General case' 0 CA--C 1.546 0.789 0 C-N-CA 125.898 1.679 . . . . 10.0 114.025 -178.221 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -68.8 -42.71 76.96 Favored 'General case' 0 CA--C 1.542 0.639 0 C-N-CA 125.044 1.338 . . . . 10.0 114.022 178.377 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 67' ' ' ASN . . . . . . . . . . . . . 8.4 m-80 -114.89 37.27 3.52 Favored 'General case' 0 CA--C 1.544 0.718 0 C-N-CA 124.21 1.004 . . . . 10.0 112.583 -169.849 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 68' ' ' GLN . . . . . . . . . . . . . 60.3 mt-30 -50.16 -52.77 32.63 Favored 'General case' 0 N--CA 1.474 0.744 0 C-N-CA 125.921 1.688 . . . . 10.0 112.224 -179.342 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -51.55 -52.01 50.69 Favored 'General case' 0 CA--C 1.54 0.575 0 C-N-CA 125.286 1.434 . . . . 10.0 112.742 178.538 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 6.4 mm-40 -57.19 -48.21 79.34 Favored 'General case' 0 N--CA 1.473 0.693 0 C-N-CA 124.996 1.318 . . . . 10.0 112.847 -179.259 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 71' ' ' PHE . . . . . . . . . . . . . 37.0 m-85 -60.67 -58.26 9.23 Favored 'General case' 0 CA--C 1.537 0.472 0 C-N-CA 122.797 0.439 . . . . 10.0 111.409 174.27 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 66.7 m -56.11 -51.51 67.67 Favored 'General case' 0 N--CA 1.472 0.643 0 C-N-CA 125.231 1.412 . . . . 10.0 114.047 -176.551 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 73' ' ' ARG . . . . . . . . . . . . . 7.1 ppt_? -58.84 -46.13 88.41 Favored 'General case' 0 N--CA 1.479 0.993 0 C-N-CA 124.605 1.162 . . . . 10.0 113.142 -176.472 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 18.2 mt-10 -64.98 -52.12 57.98 Favored 'General case' 0 N--CA 1.467 0.416 0 C-N-CA 123.822 0.849 . . . . 10.0 112.851 173.25 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 58.5 tptt -48.41 -26.67 2.2 Favored 'General case' 0 N--CA 1.482 1.143 0 C-N-CA 126.875 2.07 . . . . 10.0 115.188 -175.33 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 76' ' ' GLN . . . . . . . . . . . . . 73.0 mm-40 -53.34 -32.45 49.16 Favored 'General case' 0 CA--C 1.546 0.803 0 C-N-CA 124.711 1.204 . . . . 10.0 113.8 172.873 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 32.1 t70 -135.25 -44.27 0.7 Allowed 'General case' 0 CA--C 1.545 0.766 0 C-N-CA 126.061 1.744 . . . . 10.0 113.223 -176.051 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 6.8 t -62.19 135.97 57.73 Favored 'General case' 0 N--CA 1.47 0.545 0 C-N-CA 126.546 1.939 . . . . 10.0 112.647 -179.499 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 40.3 ttpt -120.4 -76.38 0.58 Allowed 'General case' 0 N--CA 1.476 0.837 0 C-N-CA 125.817 1.647 . . . . 10.0 111.751 -174.337 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 42.6 tp -57.74 -38.18 74.89 Favored 'General case' 0 N--CA 1.471 0.611 0 C-N-CA 124.508 1.123 . . . . 10.0 112.851 -177.288 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 81' ' ' HIS . . . . . . . . . . . . . 16.9 t-160 -50.43 -48.57 56.25 Favored 'General case' 0 N--CA 1.471 0.577 0 CA-C-N 118.959 0.8 . . . . 10.0 112.55 -178.886 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 82' ' ' GLN . . . . . . . . . . . . . 87.8 mm-40 -51.73 -52.67 46.75 Favored 'General case' 0 N--CA 1.471 0.601 0 C-N-CA 124.641 1.176 . . . . 10.0 111.974 -179.89 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 83' ' ' ARG . . . . . . . . . . . . . 76.6 mtp180 -51.13 -55.37 18.12 Favored 'General case' 0 N--CA 1.48 1.065 0 C-N-CA 125.453 1.501 . . . . 10.0 111.748 178.006 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 84' ' ' VAL . . . . . . . . . . . . . 18.8 t -60.45 -52.93 55.71 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.807 0 C-N-CA 126.086 1.755 . . . . 10.0 111.121 178.801 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 85' ' ' LEU . . . . . . . . . . . . . 49.0 tp -54.31 -49.8 68.83 Favored 'General case' 0 CA--C 1.538 0.49 0 C-N-CA 126.5 1.92 . . . . 10.0 112.619 178.706 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 86' ' ' TRP . . . . . . . . . . . . . 68.0 m95 -61.81 -43.31 99.11 Favored 'General case' 0 N--CA 1.469 0.523 0 N-CA-C 113.845 1.054 . . . . 10.0 113.845 176.363 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 87' ' ' ARG . . . . . . . . . . . . . 26.2 tpt180 -55.17 -47.93 74.5 Favored 'General case' 0 N--CA 1.476 0.854 0 C-N-CA 123.529 0.732 . . . . 10.0 111.396 169.971 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 88' ' ' LEU . . . . . . . . . . . . . 1.3 tt -57.91 -54.39 47.45 Favored 'General case' 0 CA--C 1.546 0.794 0 C-N-CA 124.677 1.191 . . . . 10.0 112.139 175.117 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 89' ' ' ILE . . . . . . . . . . . . . 76.5 mt -50.14 -51.63 16.85 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.855 0 C-N-CA 125.202 1.401 . . . . 10.0 110.86 174.617 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 86.5 tttt -58.82 -45.59 89.64 Favored 'General case' 0 N--CA 1.469 0.482 0 C-N-CA 124.11 0.964 . . . . 10.0 112.747 177.198 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 18.4 mm-40 -56.64 -47.06 80.54 Favored 'General case' 0 CA--C 1.542 0.651 0 CA-C-N 119.73 1.15 . . . . 10.0 112.553 172.476 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 92' ' ' ILE . . . . . . . . . . . . . 93.3 mt -55.35 -55.9 14.45 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.958 0 C-N-CA 123.892 0.877 . . . . 10.0 110.791 172.224 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 93' ' ' CYS . . . . . . . . . . . . . 90.2 m -56.12 -46.83 79.02 Favored 'General case' 0 CA--C 1.543 0.708 0 C-N-CA 123.726 0.81 . . . . 10.0 112.164 179.032 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 57.5 m -57.78 -37.02 72.96 Favored 'General case' 0 N--CA 1.476 0.829 0 C-N-CA 126.132 1.773 . . . . 10.0 113.813 176.432 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . -66.11 -28.02 68.49 Favored 'General case' 0 CA--C 1.548 0.874 0 N-CA-C 113.97 1.1 . . . . 10.0 113.97 177.572 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 96' ' ' LYS . . . . . . . . . . . . . 41.8 mttm -59.97 120.07 8.96 Favored 'General case' 0 N--CA 1.477 0.92 0 C-N-CA 125.01 1.324 . . . . 10.0 111.83 -177.66 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 97' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -126.19 146.8 49.82 Favored 'General case' 0 N--CA 1.468 0.448 0 C-N-CA 126.696 1.998 . . . . 10.0 113.449 -174.036 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 98' ' ' CYS . . . . . . . . . . . . . 56.1 m -128.84 129.1 45.14 Favored 'General case' 0 N--CA 1.47 0.536 0 C-N-CA 124.863 1.265 . . . . 10.0 111.367 -177.25 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 99' ' ' ASP . . . . . . . . . . . . . 12.8 m-20 -57.58 -36.98 72.43 Favored 'General case' 0 N--CA 1.472 0.626 0 C-N-CA 125.36 1.464 . . . . 10.0 113.756 -174.006 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 100' ' ' PHE . . . . . . . . . . . . . 5.4 p90 -70.29 -15.76 62.93 Favored 'General case' 0 CA--C 1.542 0.653 0 N-CA-C 115.249 1.574 . . . . 10.0 115.249 -177.923 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 101' ' ' TRP . . . . . . . . . . . . . 43.9 m0 . . . . . 0 N--CA 1.472 0.663 0 CA-C-N 119.862 1.21 . . . . 10.0 111.981 179.686 . . . . . . . . 0 0 . 1 . 018 nuclear build core ' A' A ' 5' ' ' ASN . . . . . . . . . . . . . 56.5 t30 . . . . . 0 CA--C 1.542 0.64 0 CA-C-O 122.733 1.254 . . . . 10.0 109.987 . . . . . . . . . 0 0 . 1 . 018 nuclear build core ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 67.2 mtm-85 -66.16 143.82 98.51 Favored Pre-proline 0 N--CA 1.475 0.81 0 C-N-CA 126.972 2.109 . . . . 10.0 111.391 178.165 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 7' ' ' PRO . . . . . . . . . . . . . 51.8 Cg_exo -53.79 116.09 2.78 Favored 'Trans proline' 0 CA--C 1.542 0.879 0 C-N-CA 122.656 2.237 . . . . 10.0 110.78 169.467 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . 112.62 -14.73 24.7 Favored Glycine 0 CA--C 1.538 1.515 0 C-N-CA 126.393 1.949 . . . . 10.0 114.223 -169.891 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -61.74 134.76 57.14 Favored 'General case' 0 CA--C 1.542 0.636 0 CA-C-N 119.803 1.801 . . . . 10.0 113.469 -171.135 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 10' ' ' PHE . . . . . . . . . . . . . 20.8 m-30 -58.06 145.56 36.03 Favored 'General case' 0 CA--C 1.539 0.554 0 C-N-CA 124.809 1.244 . . . . 10.0 112.69 171.135 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 57.8 mt -121.23 117.57 53.23 Favored 'Isoleucine or valine' 0 C--O 1.237 0.432 0 C-N-CA 125.71 1.604 . . . . 10.0 107.183 169.899 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 86.2 mttt -117.01 80.53 1.5 Allowed 'General case' 0 N--CA 1.472 0.649 0 C-N-CA 125.783 1.633 . . . . 10.0 110.04 -174.646 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 35.9 mt-30 -74.88 -42.38 57.98 Favored 'General case' 0 CA--C 1.538 0.5 0 C-N-CA 125.971 1.708 . . . . 10.0 110.481 171.932 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . 101.64 68.19 0.82 Allowed Glycine 0 CA--C 1.529 0.962 0 C-N-CA 125.682 1.61 . . . . 10.0 110.768 -178.154 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 43.8 ttp85 -135.55 109.32 8.07 Favored 'General case' 0 N--CA 1.47 0.538 0 C-N-CA 126.746 2.019 . . . . 10.0 110.295 -169.677 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 77.1 tttt -70.97 121.46 18.19 Favored 'General case' 0 N--CA 1.475 0.778 0 C-N-CA 125.658 1.583 . . . . 10.0 111.184 -177.636 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 73.6 mt -95.9 177.53 5.73 Favored 'General case' 0 CA--C 1.545 0.782 0 C-N-CA 125.882 1.673 . . . . 10.0 112.72 -175.524 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 18.2 t0 -126.99 90.4 3.15 Favored 'General case' 0 CA--C 1.543 0.684 0 C-N-CA 126.166 1.786 . . . . 10.0 110.819 179.855 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . 56.6 mt -136.01 130.23 48.38 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.746 0 C-N-CA 127.415 2.286 . . . . 10.0 108.482 -175.935 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 23.0 t0 -90.48 86.0 6.31 Favored 'General case' 0 CA--C 1.539 0.524 0 CA-C-O 121.959 0.885 . . . . 10.0 110.82 173.241 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 21' ' ' PHE . . . . . . . . . . . . . 80.0 m-85 -62.84 -42.58 99.8 Favored 'General case' 0 CA--C 1.54 0.576 0 C-N-CA 126.711 2.004 . . . . 10.0 111.778 171.077 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 133.32 154.48 7.45 Favored Glycine 0 CA--C 1.533 1.168 0 C-N-CA 127.914 2.673 . . . . 10.0 109.608 -169.69 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -40.11 -58.31 1.48 Allowed 'General case' 0 CA--C 1.547 0.864 0 N-CA-C 115.49 1.663 . . . . 10.0 115.49 -169.518 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 34.6 tt0 -66.57 -42.57 86.81 Favored 'General case' 0 CA--C 1.545 0.781 0 C-N-CA 124.15 0.98 . . . . 10.0 112.916 -179.698 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -66.12 -39.85 94.79 Favored Glycine 0 CA--C 1.535 1.295 0 C-N-CA 124.562 1.077 . . . . 10.0 113.847 176.679 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 86.1 m-20 -56.18 -50.34 71.47 Favored 'General case' 0 CA--C 1.535 0.366 0 C-N-CA 126.069 1.747 . . . . 10.0 110.313 172.306 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 66.8 mtp180 -58.81 -45.98 88.66 Favored 'General case' 0 N--CA 1.474 0.728 0 C-N-CA 125.115 1.366 . . . . 10.0 111.389 176.291 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 28' ' ' TYR . . . . . . . . . . . . . 74.7 t80 -60.03 -54.42 46.18 Favored 'General case' 0 CA--C 1.537 0.459 0 C-N-CA 124.059 0.944 . . . . 10.0 112.044 177.545 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 29' ' ' TYR . . . . . . . . . . . . . 85.2 t80 -55.2 -51.7 65.69 Favored 'General case' 0 CA--C 1.537 0.478 0 C-N-CA 124.164 0.985 . . . . 10.0 112.228 175.175 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -51.22 -36.48 41.86 Favored 'General case' 0 CA--C 1.546 0.793 0 C-N-CA 124.496 1.118 . . . . 10.0 113.802 178.587 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -86.83 -23.51 25.29 Favored 'General case' 0 CA--C 1.55 0.957 0 N-CA-C 115.009 1.485 . . . . 10.0 115.009 176.606 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 32' ' ' ASN . . . . . . . . . . . . . 60.6 m-80 -125.9 8.77 7.48 Favored 'General case' 0 CA--C 1.547 0.832 0 N-CA-C 116.475 2.028 . . . . 10.0 116.475 -169.227 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 33' ' ' TYR . . . . . . . . . . . . . 51.7 p90 -49.17 -29.1 5.02 Favored 'General case' 0 N--CA 1.479 0.98 0 C-N-CA 126.144 1.778 . . . . 10.0 115.217 -176.921 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 34' ' ' TRP . . . . . . . . . . . . . 63.7 p-90 -52.57 -35.75 54.51 Favored 'General case' 0 CA--C 1.546 0.816 0 C-N-CA 125.95 1.7 . . . . 10.0 114.367 171.994 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 29.5 mt-30 -69.99 -41.17 74.75 Favored 'General case' 0 N--CA 1.475 0.784 0 C-N-CA 124.147 0.979 . . . . 10.0 112.916 176.229 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 36' ' ' PHE . . . . . . . . . . . . . 86.9 m-85 -71.07 154.76 93.94 Favored Pre-proline 0 CA--C 1.547 0.835 0 C-N-CA 126.129 1.772 . . . . 10.0 114.385 -169.752 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 92.2 Cg_endo -74.0 131.9 16.14 Favored 'Trans proline' 0 CA--C 1.537 0.671 0 C-N-CA 123.665 2.91 . . . . 10.0 110.328 169.377 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 4.2 p30 -94.25 -30.03 14.78 Favored 'General case' 0 N--CA 1.473 0.676 0 O-C-N 121.326 -0.859 . . . . 10.0 111.758 170.024 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . -120.82 165.19 14.02 Favored Glycine 0 CA--C 1.536 1.401 0 C-N-CA 125.184 1.373 . . . . 10.0 111.772 169.204 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 40' ' ' ILE . . . . . . . . . . . . . 87.1 mt -136.46 123.89 33.11 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.841 0 C-N-CA 124.936 1.295 . . . . 10.0 108.828 171.688 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 41' ' ' TYR . . . . . . . . . . . . . 89.9 t80 -73.95 114.15 11.93 Favored 'General case' 0 CA--C 1.535 0.396 0 C-N-CA 124.943 1.297 . . . . 10.0 109.91 171.315 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 42' ' ' TYR . . . . . . . . . . . . . 40.6 t80 -153.94 153.18 31.56 Favored 'General case' 0 CA--C 1.541 0.624 0 C-N-CA 124.124 0.969 . . . . 10.0 111.606 176.875 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 47.2 mt-10 -126.75 59.95 1.37 Allowed 'General case' 0 N--CA 1.474 0.731 0 C-N-CA 125.845 1.658 . . . . 10.0 110.659 -174.102 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . -74.24 -31.55 59.24 Favored Glycine 0 CA--C 1.532 1.103 0 C-N-CA 125.06 1.314 . . . . 10.0 115.154 -174.716 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 45' ' ' CYS . . . . . . . . . . . . . 84.7 m -75.06 74.28 2.24 Favored 'General case' 0 CA--C 1.544 0.717 0 C-N-CA 125.285 1.434 . . . . 10.0 112.675 -174.657 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 23.0 t -77.6 -55.48 5.32 Favored 'General case' 0 CA--C 1.537 0.459 0 C-N-CA 125.282 1.433 . . . . 10.0 112.139 176.558 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 14.5 pt-20 -154.99 154.37 32.43 Favored 'General case' 0 N--CA 1.471 0.61 0 C-N-CA 125.13 1.372 . . . . 10.0 113.249 -169.837 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -52.11 -27.75 15.26 Favored 'General case' 0 CA--C 1.547 0.852 0 N-CA-C 115.11 1.522 . . . . 10.0 115.11 179.399 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 77.1 m-20 -65.96 -29.74 70.19 Favored 'General case' 0 CA--C 1.546 0.791 0 C-N-CA 124.689 1.196 . . . . 10.0 113.673 174.977 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . 0.8 OUTLIER -66.74 125.31 23.81 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.812 0 CA-C-N 119.502 1.046 . . . . 10.0 109.673 174.885 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 74.9 p -93.16 171.52 8.89 Favored 'General case' 0 N--CA 1.475 0.784 0 C-N-CA 124.571 1.148 . . . . 10.0 110.782 -179.98 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 85.6 tttt -57.97 -51.68 68.63 Favored 'General case' 0 N--CA 1.47 0.575 0 O-C-N 121.641 -0.662 . . . . 10.0 110.623 169.582 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 28.0 mm-40 -49.9 -50.37 46.38 Favored 'General case' 0 N--CA 1.473 0.707 0 C-N-CA 124.157 0.983 . . . . 10.0 112.256 177.363 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 54' ' ' MET . . . . . . . . . . . . . 60.0 mtm -60.08 -48.6 81.03 Favored 'General case' 0 CA--C 1.537 0.454 0 N-CA-C 112.99 0.737 . . . . 10.0 112.99 172.84 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 9.6 tt -59.4 -52.04 67.32 Favored 'General case' 0 N--CA 1.467 0.423 0 CA-C-N 119.664 1.12 . . . . 10.0 112.558 179.887 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 40.1 t -58.22 -48.62 84.22 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.917 0 C-N-CA 124.567 1.147 . . . . 10.0 110.78 -179.721 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 57' ' ' THR . . . . . . . . . . . . . 61.8 m -56.78 -51.33 69.33 Favored 'General case' 0 N--CA 1.477 0.916 0 C-N-CA 124.386 1.074 . . . . 10.0 111.794 174.669 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 45.3 m -62.35 -39.99 94.94 Favored 'General case' 0 N--CA 1.472 0.667 0 C-N-CA 124.264 1.025 . . . . 10.0 112.605 178.893 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 59' ' ' CYS . . . . . . . . . . . . . 44.7 t -58.47 -49.55 76.91 Favored 'General case' 0 CA--C 1.536 0.42 0 C-N-CA 126.217 1.807 . . . . 10.0 112.26 172.965 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 60' ' ' VAL . . . . . . . . . . . . . 44.0 t -54.94 -48.36 75.2 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.896 0 C-N-CA 124.317 1.047 . . . . 10.0 111.519 171.744 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 61' ' ' ASN . . . . . . . . . . . . . 17.8 m-80 -59.76 -44.94 93.61 Favored 'General case' 0 CA--C 1.546 0.796 0 C-N-CA 124.596 1.158 . . . . 10.0 113.476 175.223 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -61.0 -47.23 87.42 Favored 'General case' 0 CA--C 1.539 0.551 0 C-N-CA 124.265 1.026 . . . . 10.0 111.311 174.635 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 63' ' ' THR . . . . . . . . . . . . . 37.0 m -54.8 -49.72 70.29 Favored 'General case' 0 N--CA 1.47 0.555 0 C-N-CA 125.19 1.396 . . . . 10.0 111.655 177.078 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 64' ' ' GLN . . . . . . . . . . . . . 55.5 mt-30 -46.88 -60.31 2.51 Favored 'General case' 0 N--CA 1.474 0.751 0 C-N-CA 125.075 1.35 . . . . 10.0 111.976 172.28 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -56.19 -43.51 78.53 Favored 'General case' 0 CA--C 1.543 0.676 0 C-N-CA 125.403 1.481 . . . . 10.0 113.468 -179.55 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -74.53 -30.96 61.98 Favored 'General case' 0 CA--C 1.545 0.778 0 N-CA-C 115.207 1.558 . . . . 10.0 115.207 -176.775 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 67' ' ' ASN . . . . . . . . . . . . . 6.8 m-80 -125.34 39.38 3.98 Favored 'General case' 0 N--CA 1.48 1.054 0 CA-C-N 120.179 1.354 . . . . 10.0 113.214 -170.295 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 68' ' ' GLN . . . . . . . . . . . . . 70.5 mt-30 -51.81 -39.1 58.14 Favored 'General case' 0 N--CA 1.476 0.832 0 C-N-CA 126.345 1.858 . . . . 10.0 115.032 -172.559 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -51.42 -58.86 5.09 Favored 'General case' 0 CA--C 1.544 0.748 0 C-N-CA 125.216 1.406 . . . . 10.0 113.47 -176.614 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 44.1 mt-10 -62.81 -27.27 69.2 Favored 'General case' 0 N--CA 1.476 0.833 0 C-N-CA 123.907 0.883 . . . . 10.0 113.176 179.891 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 71' ' ' PHE . . . . . . . . . . . . . 13.5 m-85 -83.55 1.29 42.73 Favored 'General case' 0 CA--C 1.544 0.712 0 C-N-CA 124.862 1.265 . . . . 10.0 114.346 175.214 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 31.0 t -132.93 -58.8 0.9 Allowed 'General case' 0 N--CA 1.472 0.653 0 C-N-CA 124.637 1.175 . . . . 10.0 113.231 -170.694 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 73' ' ' ARG . . . . . . . . . . . . . 38.8 mmt180 -61.98 -52.04 65.63 Favored 'General case' 0 N--CA 1.475 0.786 0 C-N-CA 125.123 1.369 . . . . 10.0 112.926 -172.9 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 11.4 pt-20 -89.97 -25.25 20.98 Favored 'General case' 0 N--CA 1.475 0.816 0 N-CA-C 114.316 1.228 . . . . 10.0 114.316 -175.792 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 79.0 tttt -34.22 -52.74 0.48 Allowed 'General case' 0 N--CA 1.48 1.066 0 C-N-CA 128.803 2.841 . . . . 10.0 115.452 -174.116 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 76' ' ' GLN . . . . . . . . . . . . . 4.5 mp0 -54.88 -46.83 74.82 Favored 'General case' 0 CA--C 1.542 0.639 0 C-N-CA 125.892 1.677 . . . . 10.0 112.547 -175.017 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 33.1 t70 -84.62 -48.66 9.27 Favored 'General case' 0 CA--C 1.542 0.656 0 C-N-CA 125.122 1.369 . . . . 10.0 111.991 174.565 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 2.7 t -80.62 49.96 1.25 Allowed 'General case' 0 CA--C 1.543 0.698 0 C-N-CA 127.519 2.327 . . . . 10.0 112.787 -171.816 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 99.5 mttt -57.26 -55.3 36.5 Favored 'General case' 0 N--CA 1.476 0.85 0 C-N-CA 126.291 1.836 . . . . 10.0 112.848 -172.57 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 59.0 tp -56.53 -43.32 79.72 Favored 'General case' 0 N--CA 1.469 0.512 0 C-N-CA 124.691 1.196 . . . . 10.0 112.067 177.88 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 81' ' ' HIS . . . . . . . . . . . . . 17.0 t-160 -51.81 -51.56 55.56 Favored 'General case' 0 N--CA 1.468 0.428 0 CA-C-O 118.378 -0.82 . . . . 10.0 111.025 177.846 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 82' ' ' GLN . . . . . . . . . . . . . 95.3 mm-40 -51.57 -51.08 58.39 Favored 'General case' 0 N--CA 1.471 0.584 0 C-N-CA 123.84 0.856 . . . . 10.0 112.386 176.778 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 83' ' ' ARG . . . . . . . . . . . . . 47.5 mmt-85 -56.65 -55.02 39.34 Favored 'General case' 0 N--CA 1.479 1.012 0 C-N-CA 124.078 0.951 . . . . 10.0 111.972 -178.648 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 84' ' ' VAL . . . . . . . . . . . . . 44.9 t -59.75 -49.79 82.49 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.806 0 C-N-CA 125.689 1.595 . . . . 10.0 110.793 177.78 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 85' ' ' LEU . . . . . . . . . . . . . 50.4 tp -56.29 -49.72 73.47 Favored 'General case' 0 N--CA 1.469 0.482 0 C-N-CA 126.394 1.878 . . . . 10.0 112.501 178.301 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 86' ' ' TRP . . . . . . . . . . . . . 53.2 m95 -61.6 -44.24 97.37 Favored 'General case' 0 N--CA 1.468 0.467 0 N-CA-C 113.803 1.038 . . . . 10.0 113.803 175.672 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 87' ' ' ARG . . . . . . . . . . . . . 13.8 tpt180 -55.16 -50.58 68.94 Favored 'General case' 0 N--CA 1.473 0.697 0 CA-C-N 118.762 0.71 . . . . 10.0 111.081 171.196 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 88' ' ' LEU . . . . . . . . . . . . . 52.4 tp -55.95 -50.72 70.0 Favored 'General case' 0 CA--C 1.54 0.592 0 C-N-CA 124.472 1.109 . . . . 10.0 112.796 175.947 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 89' ' ' ILE . . . . . . . . . . . . . 62.9 mt -51.61 -51.22 27.34 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.684 0 C-N-CA 124.262 1.025 . . . . 10.0 110.632 174.143 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 94.5 mttt -58.31 -45.81 87.31 Favored 'General case' 0 N--CA 1.472 0.665 0 C-N-CA 124.212 1.005 . . . . 10.0 113.219 176.049 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 67.2 mm-40 -53.97 -50.71 65.91 Favored 'General case' 0 N--CA 1.474 0.743 0 CA-C-N 119.538 1.063 . . . . 10.0 112.046 171.686 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 92' ' ' ILE . . . . . . . . . . . . . 96.8 mt -58.65 -51.18 75.04 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.94 0 C-N-CA 124.383 1.073 . . . . 10.0 111.558 175.471 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 93' ' ' CYS . . . . . . . . . . . . . 66.5 m -57.36 -41.83 80.9 Favored 'General case' 0 CA--C 1.546 0.806 0 C-N-CA 124.505 1.122 . . . . 10.0 112.4 177.919 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 23.8 t -61.7 -45.22 94.93 Favored 'General case' 0 N--CA 1.474 0.73 0 C-N-CA 126.027 1.731 . . . . 10.0 112.747 171.318 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . -60.47 -48.32 82.26 Favored 'General case' 0 CA--C 1.543 0.688 0 C-N-CA 125.513 1.525 . . . . 10.0 113.713 -177.033 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 96' ' ' LYS . . . . . . . . . . . . . 1.5 ptpm? -61.72 139.73 58.28 Favored 'General case' 0 N--CA 1.481 1.117 0 C-N-CA 123.555 0.742 . . . . 10.0 111.701 173.79 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 97' ' ' HIS . . . . . . . . . . . . . 2.2 m-70 -138.02 167.49 21.67 Favored 'General case' 0 N--CA 1.479 1.014 0 C-N-CA 126.592 1.957 . . . . 10.0 112.04 -173.535 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 98' ' ' CYS . . . . . . . . . . . . . 33.7 m -112.04 131.49 55.39 Favored 'General case' 0 N--CA 1.469 0.511 0 C-N-CA 125.151 1.38 . . . . 10.0 111.652 174.78 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 99' ' ' ASP . . . . . . . . . . . . . 16.5 m-20 -60.32 -36.63 78.37 Favored 'General case' 0 N--CA 1.473 0.692 0 C-N-CA 124.705 1.202 . . . . 10.0 113.243 179.665 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 100' ' ' PHE . . . . . . . . . . . . . 2.0 p90 -69.79 -11.87 61.19 Favored 'General case' 0 CA--C 1.544 0.737 0 N-CA-C 115.341 1.608 . . . . 10.0 115.341 -178.907 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 101' ' ' TRP . . . . . . . . . . . . . 25.3 m0 . . . . . 0 N--CA 1.471 0.62 0 CA-C-N 119.675 1.125 . . . . 10.0 113.075 -177.819 . . . . . . . . 0 0 . 1 . 019 nuclear build core ' A' A ' 5' ' ' ASN . . . . . . . . . . . . . 52.8 t30 . . . . . 0 CA--C 1.545 0.771 0 CA-C-O 122.569 1.176 . . . . 10.0 110.113 . . . . . . . . . 0 0 . 1 . 019 nuclear build core ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 26.2 ptt-85 -71.26 150.55 94.36 Favored Pre-proline 0 N--CA 1.475 0.796 0 C-N-CA 127.203 2.201 . . . . 10.0 112.25 173.195 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 7' ' ' PRO . . . . . . . . . . . . . 41.2 Cg_endo -61.66 119.3 6.36 Favored 'Trans proline' 0 CA--C 1.538 0.724 0 C-N-CA 122.925 2.417 . . . . 10.0 111.104 179.198 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . 116.32 -16.29 14.96 Favored Glycine 0 CA--C 1.539 1.537 0 C-N-CA 127.156 2.312 . . . . 10.0 113.671 -169.971 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -61.13 133.53 56.1 Favored 'General case' 0 CA--C 1.546 0.798 0 CA-C-N 119.599 1.699 . . . . 10.0 113.722 -171.004 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 10' ' ' PHE . . . . . . . . . . . . . 13.3 m-30 -57.64 142.83 43.57 Favored 'General case' 0 CA--C 1.543 0.695 0 C-N-CA 125.417 1.487 . . . . 10.0 113.043 172.315 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 52.6 mt -120.79 95.39 3.53 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.576 0 C-N-CA 125.523 1.529 . . . . 10.0 107.468 169.725 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 89.0 mttt -86.89 123.67 32.27 Favored 'General case' 0 N--CA 1.473 0.702 0 C-N-CA 125.265 1.426 . . . . 10.0 109.672 177.256 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 75.5 mt-30 -120.75 -41.48 2.57 Favored 'General case' 0 N--CA 1.474 0.735 0 C-N-CA 124.569 1.147 . . . . 10.0 112.836 -171.717 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . 90.41 42.58 5.15 Favored Glycine 0 CA--C 1.533 1.175 0 C-N-CA 126.114 1.816 . . . . 10.0 111.257 -169.912 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 69.4 ttp85 -121.12 84.97 2.32 Favored 'General case' 0 N--CA 1.473 0.678 0 C-N-CA 126.564 1.946 . . . . 10.0 109.957 -171.028 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 76.0 tttt -55.23 111.62 0.9 Allowed 'General case' 0 N--CA 1.475 0.806 0 C-N-CA 126.717 2.007 . . . . 10.0 112.355 -171.548 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 79.0 mt -85.15 179.1 7.31 Favored 'General case' 0 CA--C 1.545 0.775 0 C-N-CA 126.409 1.883 . . . . 10.0 112.687 -174.741 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 19.8 t0 -129.58 92.17 3.29 Favored 'General case' 0 CA--C 1.543 0.711 0 C-N-CA 125.895 1.678 . . . . 10.0 110.71 175.657 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . 51.0 mt -134.3 138.73 49.44 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.759 0 C-N-CA 127.959 2.504 . . . . 10.0 108.452 179.677 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 26.7 t0 -86.24 112.03 20.98 Favored 'General case' 0 CA--C 1.538 0.509 0 CA-C-O 121.373 0.606 . . . . 10.0 110.185 169.465 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 21' ' ' PHE . . . . . . . . . . . . . 72.6 m-85 -98.62 -3.6 35.78 Favored 'General case' 0 CA--C 1.543 0.708 0 C-N-CA 127.998 2.519 . . . . 10.0 112.675 173.995 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 88.97 152.87 26.45 Favored Glycine 0 CA--C 1.536 1.376 0 C-N-CA 125.723 1.63 . . . . 10.0 110.043 -168.822 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -40.72 -56.62 2.11 Favored 'General case' 0 CA--C 1.547 0.855 0 N-CA-C 115.678 1.733 . . . . 10.0 115.678 -169.605 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 37.2 tt0 -61.78 -44.91 95.94 Favored 'General case' 0 CA--C 1.545 0.75 0 C-N-CA 124.675 1.19 . . . . 10.0 112.505 179.793 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -66.92 -39.17 93.29 Favored Glycine 0 CA--C 1.535 1.327 0 C-N-CA 124.748 1.166 . . . . 10.0 113.905 176.027 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 95.4 m-20 -57.79 -49.13 77.64 Favored 'General case' 0 CA--C 1.534 0.34 0 C-N-CA 125.652 1.581 . . . . 10.0 110.683 174.764 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 98.7 mtt180 -57.47 -46.13 84.03 Favored 'General case' 0 N--CA 1.475 0.811 0 C-N-CA 124.499 1.119 . . . . 10.0 111.62 174.555 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 28' ' ' TYR . . . . . . . . . . . . . 71.0 t80 -60.48 -53.46 57.25 Favored 'General case' 0 CA--C 1.537 0.444 0 C-N-CA 124.04 0.936 . . . . 10.0 112.359 178.175 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 29' ' ' TYR . . . . . . . . . . . . . 76.2 t80 -56.2 -52.11 65.61 Favored 'General case' 0 N--CA 1.468 0.439 0 C-N-CA 123.898 0.879 . . . . 10.0 112.19 175.555 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -49.68 -36.57 25.43 Favored 'General case' 0 CA--C 1.545 0.754 0 C-N-CA 124.373 1.069 . . . . 10.0 113.79 178.636 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -87.21 -28.19 22.54 Favored 'General case' 0 CA--C 1.551 1.006 0 C-N-CA 125.696 1.598 . . . . 10.0 115.166 176.738 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 32' ' ' ASN . . . . . . . . . . . . . 55.9 m-80 -122.9 8.79 9.36 Favored 'General case' 0 N--CA 1.477 0.881 0 N-CA-C 116.534 2.05 . . . . 10.0 116.534 -169.12 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 33' ' ' TYR . . . . . . . . . . . . . 52.9 p90 -46.35 -36.76 6.66 Favored 'General case' 0 N--CA 1.477 0.89 0 C-N-CA 126.466 1.907 . . . . 10.0 115.069 -176.401 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 34' ' ' TRP . . . . . . . . . . . . . 63.7 p-90 -48.6 -33.67 10.21 Favored 'General case' 0 CA--C 1.546 0.809 0 C-N-CA 126.24 1.816 . . . . 10.0 114.632 174.92 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 29.8 mt-30 -71.73 -30.29 65.46 Favored 'General case' 0 N--CA 1.472 0.653 0 C-N-CA 125.061 1.344 . . . . 10.0 114.571 177.296 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 36' ' ' PHE . . . . . . . . . . . . . 64.7 m-85 -78.47 153.31 78.86 Favored Pre-proline 0 CA--C 1.544 0.741 0 N-CA-C 115.178 1.547 . . . . 10.0 115.178 -168.808 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 84.1 Cg_endo -74.18 103.64 1.71 Allowed 'Trans proline' 0 CA--C 1.539 0.765 0 C-N-CA 123.979 3.12 . . . . 10.0 110.029 169.636 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 69.2 m-20 -70.04 -22.5 63.08 Favored 'General case' 0 CA--C 1.545 0.775 0 O-C-N 121.218 -0.926 . . . . 10.0 112.261 176.326 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . -139.08 170.69 23.97 Favored Glycine 0 CA--C 1.537 1.415 0 C-N-CA 127.208 2.337 . . . . 10.0 111.083 169.468 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 40' ' ' ILE . . . . . . . . . . . . . 91.6 mt -137.45 125.58 32.39 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.858 0 C-N-CA 124.63 1.172 . . . . 10.0 109.046 176.56 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 41' ' ' TYR . . . . . . . . . . . . . 91.2 t80 -74.16 106.62 5.91 Favored 'General case' 0 CA--C 1.534 0.362 0 C-N-CA 124.102 0.961 . . . . 10.0 109.879 171.005 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 42' ' ' TYR . . . . . . . . . . . . . 55.1 t80 -154.73 141.62 19.15 Favored 'General case' 0 N--CA 1.467 0.409 0 C-N-CA 123.791 0.836 . . . . 10.0 111.886 175.747 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 51.8 mt-10 -119.94 95.83 4.92 Favored 'General case' 0 N--CA 1.469 0.505 0 C-N-CA 125.868 1.667 . . . . 10.0 109.57 178.79 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . -83.59 -69.09 1.39 Allowed Glycine 0 CA--C 1.527 0.825 0 C-N-CA 124.625 1.107 . . . . 10.0 114.421 -169.811 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 45' ' ' CYS . . . . . . . . . . . . . 26.7 p -70.68 140.21 51.43 Favored 'General case' 0 CA--C 1.544 0.712 0 N-CA-C 113.069 0.766 . . . . 10.0 113.069 -173.058 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 62.1 m -124.82 -28.16 3.54 Favored 'General case' 0 N--CA 1.479 0.991 0 C-N-CA 125.787 1.635 . . . . 10.0 113.675 178.617 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 47' ' ' GLU . . . . . 0.449 ' O ' HG12 ' A' ' 50' ' ' VAL . 13.0 pt-20 -147.73 150.57 34.55 Favored 'General case' 0 N--CA 1.472 0.672 0 C-N-CA 126.035 1.734 . . . . 10.0 111.668 -177.826 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -54.01 -26.61 27.18 Favored 'General case' 0 CA--C 1.549 0.931 0 N-CA-C 115.175 1.546 . . . . 10.0 115.175 -175.314 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 77.2 m-20 -65.25 -29.29 70.07 Favored 'General case' 0 CA--C 1.546 0.799 0 C-N-CA 125.401 1.48 . . . . 10.0 113.836 176.997 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 50' ' ' VAL . . . . . 0.449 HG12 ' O ' ' A' ' 47' ' ' GLU . 5.0 p -62.89 136.1 26.41 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.892 0 C-N-CA 124.084 0.954 . . . . 10.0 111.857 -176.962 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 73.5 p -101.49 167.89 9.86 Favored 'General case' 0 N--CA 1.474 0.747 0 C-N-CA 124.46 1.104 . . . . 10.0 111.794 -173.838 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 87.3 tttt -59.33 -47.98 83.36 Favored 'General case' 0 N--CA 1.469 0.515 0 C-N-CA 123.197 0.599 . . . . 10.0 110.684 169.837 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 2.4 mp0 -48.34 -51.58 25.5 Favored 'General case' 0 CA--C 1.54 0.591 0 C-N-CA 124.828 1.251 . . . . 10.0 112.273 173.732 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 54' ' ' MET . . . . . . . . . . . . . 31.3 mtm -56.77 -56.61 19.31 Favored 'General case' 0 N--CA 1.469 0.497 0 C-N-CA 123.818 0.847 . . . . 10.0 112.606 171.64 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 9.7 tt -55.42 -53.73 52.63 Favored 'General case' 0 N--CA 1.471 0.58 0 C-N-CA 124.689 1.196 . . . . 10.0 112.979 -177.192 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 60.7 t -60.4 -48.97 86.14 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.812 0 C-N-CA 125.444 1.498 . . . . 10.0 111.208 -177.364 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 57' ' ' THR . . . . . . . . . . . . . 48.0 m -59.69 -49.04 79.31 Favored 'General case' 0 N--CA 1.476 0.863 0 C-N-CA 124.047 0.939 . . . . 10.0 111.542 175.86 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 38.8 m -60.38 -39.73 88.31 Favored 'General case' 0 N--CA 1.472 0.626 0 C-N-CA 124.165 0.986 . . . . 10.0 112.349 177.519 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 59' ' ' CYS . . . . . . . . . . . . . 39.7 t -58.19 -49.58 76.56 Favored 'General case' 0 CA--C 1.537 0.446 0 C-N-CA 125.557 1.543 . . . . 10.0 112.877 173.329 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 60' ' ' VAL . . . . . . . . . . . . . 54.5 t -55.36 -49.96 68.9 Favored 'Isoleucine or valine' 0 N--CA 1.479 0.977 0 CA-C-N 119.076 0.853 . . . . 10.0 111.267 172.051 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 61' ' ' ASN . . . . . . . . . . . . . 16.4 m-80 -57.83 -45.21 86.51 Favored 'General case' 0 CA--C 1.545 0.762 0 C-N-CA 124.528 1.131 . . . . 10.0 113.189 176.551 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -62.09 -48.09 81.74 Favored 'General case' 0 CA--C 1.536 0.44 0 C-N-CA 124.064 0.945 . . . . 10.0 111.366 175.396 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 63' ' ' THR . . . . . . . . . . . . . 30.8 m -54.71 -49.64 70.23 Favored 'General case' 0 N--CA 1.471 0.589 0 C-N-CA 124.98 1.312 . . . . 10.0 111.58 176.316 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 64' ' ' GLN . . . . . . . . . . . . . 81.8 mt-30 -48.8 -60.0 3.1 Favored 'General case' 0 N--CA 1.471 0.585 0 C-N-CA 125.531 1.532 . . . . 10.0 112.133 172.17 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -56.82 -43.0 80.6 Favored 'General case' 0 CA--C 1.545 0.765 0 C-N-CA 125.317 1.447 . . . . 10.0 113.577 179.681 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -69.06 -39.83 78.9 Favored 'General case' 0 CA--C 1.543 0.701 0 C-N-CA 124.969 1.308 . . . . 10.0 114.433 -178.832 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 67' ' ' ASN . . . . . . . . . . . . . 8.3 m-80 -118.12 39.69 3.34 Favored 'General case' 0 N--CA 1.475 0.794 0 C-N-CA 124.162 0.985 . . . . 10.0 112.71 -169.72 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 68' ' ' GLN . . . . . . . . . . . . . 64.1 mt-30 -52.44 -44.86 65.72 Favored 'General case' 0 N--CA 1.475 0.781 0 C-N-CA 125.61 1.564 . . . . 10.0 112.861 179.427 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -54.28 -49.33 69.84 Favored 'General case' 0 CA--C 1.542 0.659 0 C-N-CA 124.944 1.298 . . . . 10.0 112.636 175.609 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 11.1 mm-40 -59.79 -48.34 82.08 Favored 'General case' 0 N--CA 1.47 0.573 0 C-N-CA 124.192 0.997 . . . . 10.0 111.973 178.1 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 71' ' ' PHE . . . . . . . . . . . . . 25.7 m-85 -65.48 -24.13 67.08 Favored 'General case' 0 N--CA 1.472 0.658 0 N-CA-C 113.919 1.081 . . . . 10.0 113.919 176.541 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 21.7 t -71.33 -56.71 5.44 Favored 'General case' 0 N--CA 1.47 0.542 0 C-N-CA 124.234 1.013 . . . . 10.0 110.575 169.384 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 73' ' ' ARG . . . . . . . . . . . . . 91.4 mtt180 -55.52 -61.39 2.38 Favored 'General case' 0 N--CA 1.476 0.858 0 C-N-CA 127.351 2.261 . . . . 10.0 113.294 179.628 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 77.3 mm-40 -87.13 52.11 2.42 Favored 'General case' 0 N--CA 1.468 0.452 0 C-N-CA 126.454 1.902 . . . . 10.0 112.84 -169.34 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 4.8 ttpm? -147.32 -53.19 0.21 Allowed 'General case' 0 N--CA 1.472 0.646 0 C-N-CA 125.104 1.362 . . . . 10.0 113.225 -176.994 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 76' ' ' GLN . . . . . . . . . . . . . 13.8 mm100 -57.02 -61.94 2.09 Favored 'General case' 0 N--CA 1.472 0.659 0 C-N-CA 124.613 1.165 . . . . 10.0 111.911 -172.085 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 31.4 t70 -82.79 -51.61 7.5 Favored 'General case' 0 CA--C 1.542 0.635 0 C-N-CA 124.363 1.065 . . . . 10.0 110.995 169.85 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 16.6 m -75.72 55.55 0.87 Allowed 'General case' 0 CA--C 1.544 0.729 0 C-N-CA 126.648 1.979 . . . . 10.0 113.322 -177.035 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 64.3 mttp -54.2 -50.99 65.81 Favored 'General case' 0 N--CA 1.479 0.982 0 C-N-CA 125.853 1.661 . . . . 10.0 113.036 -176.833 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 50.3 tp -57.45 -35.16 69.76 Favored 'General case' 0 N--CA 1.472 0.647 0 C-N-CA 125.295 1.438 . . . . 10.0 113.122 177.613 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 81' ' ' HIS . . . . . . . . . . . . . 6.9 t-160 -53.25 -46.16 69.09 Favored 'General case' 0 N--CA 1.469 0.52 0 C-N-CA 124.004 0.922 . . . . 10.0 111.82 -178.368 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 82' ' ' GLN . . . . . . . . . . . . . 85.0 mm-40 -48.06 -55.63 9.71 Favored 'General case' 0 N--CA 1.474 0.775 0 C-N-CA 124.431 1.092 . . . . 10.0 113.227 177.742 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 83' ' ' ARG . . . . . . . . . . . . . 48.3 ttt85 -46.95 -60.07 2.68 Favored 'General case' 0 N--CA 1.481 1.096 0 C-N-CA 124.839 1.256 . . . . 10.0 111.502 177.761 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 84' ' ' VAL . . . . . . . . . . . . . 12.7 t -60.91 -50.47 80.4 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.505 0 C-N-CA 125.941 1.696 . . . . 10.0 110.687 -176.823 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 85' ' ' LEU . . . . . . . . . . . . . 29.9 tp -57.12 -50.39 72.95 Favored 'General case' 0 CA--C 1.539 0.522 0 C-N-CA 126.194 1.798 . . . . 10.0 112.363 178.935 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 86' ' ' TRP . . . . . . . . . . . . . 66.8 m95 -62.17 -44.77 95.86 Favored 'General case' 0 N--CA 1.469 0.496 0 N-CA-C 113.696 0.998 . . . . 10.0 113.696 175.734 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 87' ' ' ARG . . . . . . . . . . . . . 25.5 tpt180 -54.6 -49.32 70.74 Favored 'General case' 0 N--CA 1.474 0.728 0 C-N-CA 123.426 0.69 . . . . 10.0 111.015 172.788 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 88' ' ' LEU . . . . . . . . . . . . . 57.4 tp -57.42 -54.0 51.74 Favored 'General case' 0 CA--C 1.54 0.593 0 C-N-CA 124.19 0.996 . . . . 10.0 112.831 174.091 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 89' ' ' ILE . . . . . . . . . . . . . 68.3 mt -51.04 -52.69 17.05 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.825 0 C-N-CA 124.333 1.053 . . . . 10.0 110.758 176.749 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 95.9 mttt -59.72 -45.14 93.07 Favored 'General case' 0 N--CA 1.47 0.536 0 C-N-CA 124.538 1.135 . . . . 10.0 112.968 178.105 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 22.3 mm-40 -56.1 -49.01 75.06 Favored 'General case' 0 CA--C 1.541 0.601 0 CA-C-N 119.316 0.962 . . . . 10.0 112.376 171.417 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 92' ' ' ILE . . . . . . . . . . . . . 90.5 mt -57.07 -52.36 57.12 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.955 0 C-N-CA 124.537 1.135 . . . . 10.0 111.449 174.434 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 93' ' ' CYS . . . . . . . . . . . . . 83.0 m -55.94 -46.44 78.52 Favored 'General case' 0 CA--C 1.543 0.693 0 C-N-CA 124.293 1.037 . . . . 10.0 112.065 177.479 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 56.1 m -60.03 -44.73 94.43 Favored 'General case' 0 N--CA 1.476 0.841 0 C-N-CA 125.699 1.6 . . . . 10.0 112.99 174.054 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . -64.28 -50.89 66.1 Favored 'General case' 0 CA--C 1.54 0.565 0 C-N-CA 125.488 1.515 . . . . 10.0 113.032 -178.416 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 96' ' ' LYS . . . . . . . . . . . . . 7.5 ptmm? -67.52 92.28 0.31 Allowed 'General case' 0 N--CA 1.476 0.874 0 C-N-CA 124.343 1.057 . . . . 10.0 112.935 -173.107 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 97' ' ' HIS . . . . . . . . . . . . . 6.4 m80 -73.17 153.5 40.68 Favored 'General case' 0 N--CA 1.476 0.831 0 C-N-CA 124.893 1.277 . . . . 10.0 112.343 179.898 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 98' ' ' CYS . . . . . . . . . . . . . 38.4 t -70.11 147.29 50.13 Favored 'General case' 0 CA--C 1.544 0.74 0 C-N-CA 123.335 0.654 . . . . 10.0 111.243 169.376 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 99' ' ' ASP . . . . . . . . . . . . . 31.7 t70 -65.22 -43.62 90.89 Favored 'General case' 0 CA--C 1.545 0.768 0 C-N-CA 124.584 1.154 . . . . 10.0 113.533 176.36 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 100' ' ' PHE . . . . . . . . . . . . . 9.1 p90 -101.35 8.14 42.43 Favored 'General case' 0 CA--C 1.546 0.798 0 N-CA-C 115.884 1.809 . . . . 10.0 115.884 -169.572 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 101' ' ' TRP . . . . . . . . . . . . . 7.9 m0 . . . . . 0 N--CA 1.475 0.817 0 CA-C-N 120.004 1.275 . . . . 10.0 112.767 177.79 . . . . . . . . 0 0 . 1 . 020 nuclear build core ' A' A ' 5' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER . . . . . 0 CA--C 1.547 0.846 0 CA-C-O 121.995 0.902 . . . . 10.0 110.684 . . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 7.4 ptm180 -74.1 161.87 76.48 Favored Pre-proline 0 N--CA 1.478 0.944 0 C-N-CA 125.005 1.322 . . . . 10.0 112.122 170.263 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 7' ' ' PRO . . . . . . . . . . . . . 80.8 Cg_exo -46.91 122.4 6.09 Favored 'Trans proline' 0 CA--C 1.537 0.655 0 C-N-CA 123.483 2.788 . . . . 10.0 112.483 169.97 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . 116.4 -21.13 11.96 Favored Glycine 0 CA--C 1.539 1.538 0 C-N-CA 127.558 2.504 . . . . 10.0 113.476 -169.672 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -59.31 135.03 57.52 Favored 'General case' 0 CA--C 1.545 0.785 0 CA-C-N 119.183 1.492 . . . . 10.0 114.149 -170.292 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 10' ' ' PHE . . . . . . . . . . . . . 15.4 m-30 -58.54 143.09 47.08 Favored 'General case' 0 CA--C 1.542 0.637 0 C-N-CA 125.834 1.654 . . . . 10.0 113.261 173.893 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 35.8 mt -126.26 93.28 2.25 Favored 'Isoleucine or valine' 0 CA--C 1.537 0.453 0 C-N-CA 125.183 1.393 . . . . 10.0 107.247 169.548 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 92.7 mttt -86.92 116.89 25.29 Favored 'General case' 0 N--CA 1.472 0.654 0 C-N-CA 125.942 1.697 . . . . 10.0 109.636 175.134 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 60.1 mt-30 -120.2 -45.83 2.43 Favored 'General case' 0 N--CA 1.47 0.55 0 C-N-CA 126.022 1.729 . . . . 10.0 110.648 -175.805 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . 119.1 84.35 0.91 Allowed Glycine 0 N--CA 1.469 0.857 0 C-N-CA 125.827 1.68 . . . . 10.0 110.875 175.982 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 48.6 ttm-85 -143.08 143.99 32.07 Favored 'General case' 0 N--CA 1.473 0.701 0 C-N-CA 125.496 1.518 . . . . 10.0 111.828 -169.605 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 75.3 tttt -117.58 96.87 5.59 Favored 'General case' 0 N--CA 1.472 0.643 0 C-N-CA 125.839 1.655 . . . . 10.0 110.58 -179.948 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 77.3 mt -78.78 -179.92 6.82 Favored 'General case' 0 CA--C 1.545 0.754 0 C-N-CA 126.411 1.884 . . . . 10.0 112.54 -177.848 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 20.1 t0 -128.12 101.73 6.4 Favored 'General case' 0 CA--C 1.542 0.635 0 C-N-CA 125.86 1.664 . . . . 10.0 110.33 172.729 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . 76.8 mt -135.69 131.76 50.81 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.726 0 C-N-CA 127.226 2.21 . . . . 10.0 107.93 -179.796 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 24.2 t0 -85.3 88.44 7.49 Favored 'General case' 0 CA--C 1.542 0.636 0 CA-C-O 122.163 0.982 . . . . 10.0 110.587 169.91 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 21' ' ' PHE . . . . . . . . . . . . . 84.1 m-85 -66.81 -39.44 87.72 Favored 'General case' 0 CA--C 1.54 0.582 0 C-N-CA 126.349 1.859 . . . . 10.0 111.705 169.944 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 128.03 154.99 8.56 Favored Glycine 0 CA--C 1.534 1.224 0 C-N-CA 128.143 2.782 . . . . 10.0 109.589 -169.639 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -39.87 -57.31 1.61 Allowed 'General case' 0 CA--C 1.547 0.862 0 N-CA-C 115.641 1.719 . . . . 10.0 115.641 -169.604 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 36.2 tt0 -63.69 -45.22 91.02 Favored 'General case' 0 CA--C 1.544 0.739 0 C-N-CA 124.61 1.164 . . . . 10.0 112.767 179.592 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -66.67 -38.54 93.28 Favored Glycine 0 CA--C 1.535 1.294 0 C-N-CA 124.988 1.28 . . . . 10.0 114.122 177.183 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 86.8 m-20 -57.71 -49.88 75.05 Favored 'General case' 0 CA--C 1.536 0.435 0 C-N-CA 126.007 1.723 . . . . 10.0 110.364 173.764 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 99.1 mtt180 -59.29 -45.88 90.05 Favored 'General case' 0 N--CA 1.475 0.776 0 C-N-CA 124.792 1.237 . . . . 10.0 111.492 176.002 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 28' ' ' TYR . . . . . . . . . . . . . 79.2 t80 -58.39 -56.25 24.47 Favored 'General case' 0 CA--C 1.536 0.417 0 C-N-CA 124.256 1.022 . . . . 10.0 112.186 176.469 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 29' ' ' TYR . . . . . . . . . . . . . 76.2 t80 -56.14 -50.34 71.38 Favored 'General case' 0 N--CA 1.468 0.451 0 C-N-CA 123.877 0.871 . . . . 10.0 112.193 177.858 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -51.41 -29.58 16.33 Favored 'General case' 0 CA--C 1.546 0.81 0 N-CA-C 114.241 1.2 . . . . 10.0 114.241 177.675 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -95.99 -24.8 16.2 Favored 'General case' 0 CA--C 1.551 1.017 0 C-N-CA 126.05 1.74 . . . . 10.0 114.884 176.987 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 32' ' ' ASN . . . . . . . . . . . . . 55.8 m-80 -124.43 7.23 8.34 Favored 'General case' 0 CA--C 1.546 0.825 0 N-CA-C 116.065 1.876 . . . . 10.0 116.065 -169.323 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 33' ' ' TYR . . . . . . . . . . . . . 51.5 p90 -43.36 -39.0 2.95 Favored 'General case' 0 N--CA 1.476 0.839 0 C-N-CA 127.511 2.324 . . . . 10.0 114.927 -179.731 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 34' ' ' TRP . . . . . . . . . . . . . 64.2 p-90 -49.9 -33.5 17.46 Favored 'General case' 0 CA--C 1.546 0.794 0 C-N-CA 126.555 1.942 . . . . 10.0 114.663 176.527 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 31.3 mt-30 -70.01 -34.69 73.63 Favored 'General case' 0 N--CA 1.473 0.678 0 C-N-CA 124.73 1.212 . . . . 10.0 114.082 177.476 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 36' ' ' PHE . . . . . . . . . . . . . 44.3 m-85 -70.4 147.82 95.22 Favored Pre-proline 0 CA--C 1.545 0.776 0 C-N-CA 125.197 1.399 . . . . 10.0 113.695 -169.276 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 96.8 Cg_endo -74.52 97.31 1.03 Allowed 'Trans proline' 0 C--N 1.348 0.546 0 C-N-CA 123.95 3.1 . . . . 10.0 110.096 170.432 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 4.5 p-10 -71.23 -17.85 62.48 Favored 'General case' 0 CA--C 1.545 0.756 0 O-C-N 121.108 -0.995 . . . . 10.0 113.347 -179.297 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . -126.71 159.52 20.95 Favored Glycine 0 CA--C 1.536 1.388 0 C-N-CA 126.288 1.899 . . . . 10.0 110.385 168.728 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 40' ' ' ILE . . . . . . . . . . . . . 81.5 mt -137.75 124.57 28.29 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.841 0 C-N-CA 124.529 1.132 . . . . 10.0 109.224 175.371 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 41' ' ' TYR . . . . . . . . . . . . . 54.0 t80 -73.47 94.78 2.14 Favored 'General case' 0 CA--C 1.535 0.365 0 C-N-CA 124.687 1.195 . . . . 10.0 110.277 172.102 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 42' ' ' TYR . . . . . . . . . . . . . 91.2 t80 -154.38 139.31 17.24 Favored 'General case' 0 N--CA 1.467 0.412 0 C-N-CA 124.538 1.135 . . . . 10.0 110.589 174.142 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 44.1 mt-10 -134.28 85.3 2.18 Favored 'General case' 0 CA--C 1.54 0.574 0 C-N-CA 125.789 1.636 . . . . 10.0 110.008 -176.665 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . -80.8 -25.71 55.48 Favored Glycine 0 CA--C 1.534 1.241 0 C-N-CA 124.755 1.169 . . . . 10.0 115.159 -173.378 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 45' ' ' CYS . . . . . . . . . . . . . 69.0 m -61.7 119.31 8.46 Favored 'General case' 0 CA--C 1.543 0.685 0 C-N-CA 125.945 1.698 . . . . 10.0 112.42 -177.461 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 56.6 p -142.23 -77.74 0.26 Allowed 'General case' 0 N--CA 1.471 0.605 0 C-N-CA 125.406 1.482 . . . . 10.0 111.784 -178.902 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 31.4 mm-40 -93.96 145.37 24.69 Favored 'General case' 0 N--CA 1.469 0.494 0 C-N-CA 126.147 1.779 . . . . 10.0 112.212 -176.287 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -55.48 -31.16 61.76 Favored 'General case' 0 CA--C 1.547 0.847 0 C-N-CA 124.818 1.247 . . . . 10.0 113.342 172.729 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 32.1 m120 -68.47 -23.48 64.59 Favored 'General case' 0 CA--C 1.545 0.77 0 C-N-CA 126.355 1.862 . . . . 10.0 114.084 176.56 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 50' ' ' VAL . . . . . 0.494 HG13 ' HE1' ' A' ' 101' ' ' TRP . 0.3 OUTLIER -63.93 154.52 6.56 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.957 0 C-N-CA 123.77 0.828 . . . . 10.0 111.192 178.532 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 27.0 p -130.43 172.34 11.98 Favored 'General case' 0 N--CA 1.479 0.98 0 C-N-CA 125.051 1.34 . . . . 10.0 111.705 -177.188 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 37.5 ttpt -60.78 -50.76 72.14 Favored 'General case' 0 N--CA 1.471 0.609 0 O-C-N 121.763 -0.586 . . . . 10.0 111.816 171.432 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 47.4 mt-10 -51.56 -47.01 63.62 Favored 'General case' 0 N--CA 1.474 0.734 0 C-N-CA 123.488 0.715 . . . . 10.0 112.199 176.997 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 54' ' ' MET . . . . . . . . . . . . . 99.2 mtp -58.11 -57.82 11.17 Favored 'General case' 0 CA--C 1.539 0.52 0 C-N-CA 124.024 0.929 . . . . 10.0 112.292 171.15 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 10.0 tt -57.26 -51.94 67.33 Favored 'General case' 0 N--CA 1.467 0.413 0 C-N-CA 124.242 1.017 . . . . 10.0 112.642 -176.279 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 40.7 t -60.91 -47.3 94.04 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.739 0 C-N-CA 124.732 1.213 . . . . 10.0 111.11 -177.31 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 57' ' ' THR . . . . . . . . . . . . . 58.5 m -57.78 -51.34 69.97 Favored 'General case' 0 N--CA 1.476 0.871 0 C-N-CA 123.998 0.919 . . . . 10.0 111.612 173.629 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 7.0 t -59.92 -42.26 93.52 Favored 'General case' 0 N--CA 1.471 0.575 0 C-N-CA 124.268 1.027 . . . . 10.0 112.566 177.967 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 59' ' ' CYS . . . . . . . . . . . . . 40.9 t -57.84 -50.1 74.44 Favored 'General case' 0 CA--C 1.536 0.405 0 C-N-CA 126.376 1.87 . . . . 10.0 112.667 173.209 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 60' ' ' VAL . . . . . . . . . . . . . 40.3 t -54.83 -48.81 73.37 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.933 0 C-N-CA 124.272 1.029 . . . . 10.0 111.363 172.442 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 61' ' ' ASN . . . . . . . . . . . . . 18.0 m-80 -59.11 -45.66 90.31 Favored 'General case' 0 CA--C 1.546 0.807 0 C-N-CA 124.658 1.183 . . . . 10.0 113.254 174.808 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -60.69 -45.69 93.23 Favored 'General case' 0 CA--C 1.538 0.482 0 C-N-CA 124.473 1.109 . . . . 10.0 111.332 174.908 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 63' ' ' THR . . . . . . . . . . . . . 36.8 m -56.3 -48.14 77.26 Favored 'General case' 0 N--CA 1.471 0.576 0 C-N-CA 125.561 1.544 . . . . 10.0 111.653 175.928 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 64' ' ' GLN . . . . . . . . . . . . . 70.8 mt-30 -50.51 -59.89 3.56 Favored 'General case' 0 N--CA 1.47 0.565 0 C-N-CA 124.096 0.958 . . . . 10.0 111.687 170.71 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -56.45 -41.66 76.86 Favored 'General case' 0 CA--C 1.545 0.776 0 C-N-CA 125.85 1.66 . . . . 10.0 114.044 -178.615 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -69.44 -37.7 77.49 Favored 'General case' 0 CA--C 1.541 0.625 0 C-N-CA 125.141 1.377 . . . . 10.0 114.262 178.969 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 67' ' ' ASN . . . . . . . . . . . . . 7.2 m-80 -122.39 39.78 3.83 Favored 'General case' 0 CA--C 1.546 0.794 0 C-N-CA 124.28 1.032 . . . . 10.0 112.639 -169.769 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 68' ' ' GLN . . . . . . . . . . . . . 88.0 mt-30 -52.81 -47.99 67.25 Favored 'General case' 0 N--CA 1.475 0.782 0 C-N-CA 125.29 1.436 . . . . 10.0 113.105 -176.34 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -55.47 -50.27 70.32 Favored 'General case' 0 CA--C 1.542 0.664 0 C-N-CA 125.066 1.346 . . . . 10.0 112.852 179.354 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 12.3 mm-40 -52.96 -53.88 43.29 Favored 'General case' 0 N--CA 1.472 0.668 0 C-N-CA 125.094 1.358 . . . . 10.0 111.621 178.788 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 71' ' ' PHE . . . . . . . . . . . . . 40.4 m-85 -59.36 -57.16 14.22 Favored 'General case' 0 CA--C 1.535 0.402 0 C-N-CA 123.603 0.761 . . . . 10.0 111.903 175.377 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 62.7 m -53.5 -48.25 69.14 Favored 'General case' 0 N--CA 1.474 0.764 0 C-N-CA 125.493 1.517 . . . . 10.0 113.349 -175.118 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 73' ' ' ARG . . . . . . . . . . . . . 99.0 mtt180 -57.57 -56.63 19.45 Favored 'General case' 0 N--CA 1.475 0.791 0 C-N-CA 125.349 1.46 . . . . 10.0 111.996 177.386 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 30.2 mt-10 -69.1 -46.39 67.84 Favored 'General case' 0 CA--C 1.538 0.498 0 N-CA-C 113.698 0.999 . . . . 10.0 113.698 -174.76 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 21.7 ttmm -43.72 -35.46 1.85 Allowed 'General case' 0 N--CA 1.484 1.238 0 C-N-CA 127.782 2.433 . . . . 10.0 114.839 -177.315 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 76' ' ' GLN . . . . . . . . . . . . . 17.6 mm100 -51.29 -35.63 38.52 Favored 'General case' 0 CA--C 1.544 0.712 0 C-N-CA 126.015 1.726 . . . . 10.0 114.04 175.45 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 32.6 t70 -133.17 -39.92 0.92 Allowed 'General case' 0 N--CA 1.474 0.757 0 C-N-CA 125.755 1.622 . . . . 10.0 113.411 -172.895 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -80.31 53.84 1.87 Allowed 'General case' 0 CA--C 1.544 0.731 0 C-N-CA 126.951 2.1 . . . . 10.0 112.833 -175.015 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 5.3 mptp? -55.0 -48.7 72.99 Favored 'General case' 0 N--CA 1.479 0.997 0 C-N-CA 125.741 1.616 . . . . 10.0 112.673 -175.287 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 50.1 tp -58.04 -50.41 73.52 Favored 'General case' 0 N--CA 1.47 0.545 0 C-N-CA 124.761 1.225 . . . . 10.0 111.962 173.935 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 81' ' ' HIS . . . . . . . . . . . . . 17.8 t-160 -50.44 -47.94 56.57 Favored 'General case' 0 N--CA 1.473 0.686 0 CA-C-O 118.296 -0.859 . . . . 10.0 111.791 -178.868 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 82' ' ' GLN . . . . . . . . . . . . . 83.9 mm-40 -45.94 -55.62 6.54 Favored 'General case' 0 N--CA 1.474 0.761 0 C-N-CA 124.566 1.146 . . . . 10.0 112.619 177.967 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 83' ' ' ARG . . . . . . . . . . . . . 10.9 mpt_? -57.68 -53.93 52.58 Favored 'General case' 0 N--CA 1.479 1.023 0 C-N-CA 124.673 1.189 . . . . 10.0 111.792 -178.206 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 84' ' ' VAL . . . . . . . . . . . . . 20.0 t -56.93 -51.71 64.91 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.775 0 C-N-CA 125.561 1.544 . . . . 10.0 110.597 177.938 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 85' ' ' LEU . . . . . . . . . . . . . 41.4 tp -55.19 -48.93 73.11 Favored 'General case' 0 CA--C 1.536 0.426 0 C-N-CA 126.529 1.932 . . . . 10.0 112.753 177.078 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 86' ' ' TRP . . . . . . . . . . . . . 55.5 m95 -61.31 -44.31 97.42 Favored 'General case' 0 N--CA 1.47 0.54 0 N-CA-C 113.821 1.045 . . . . 10.0 113.821 175.464 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 87' ' ' ARG . . . . . . . . . . . . . 44.6 tpt85 -57.76 -45.44 85.92 Favored 'General case' 0 N--CA 1.476 0.845 0 C-N-CA 123.71 0.804 . . . . 10.0 112.292 173.764 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 88' ' ' LEU . . . . . . . . . . . . . 2.1 tm? -59.93 -52.59 64.75 Favored 'General case' 0 CA--C 1.542 0.657 0 C-N-CA 126.929 2.092 . . . . 10.0 111.93 173.204 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 89' ' ' ILE . . . . . . . . . . . . . 65.3 mt -51.71 -51.29 27.91 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.78 0 C-N-CA 124.322 1.049 . . . . 10.0 110.453 173.971 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 39.6 ttmt -57.5 -43.57 84.31 Favored 'General case' 0 N--CA 1.471 0.601 0 C-N-CA 124.506 1.122 . . . . 10.0 113.108 176.588 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 27.2 tp10 -53.14 -52.33 59.08 Favored 'General case' 0 N--CA 1.472 0.635 0 CA-C-N 119.222 0.919 . . . . 10.0 111.949 172.643 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 92' ' ' ILE . . . . . . . . . . . . . 97.4 mt -59.7 -50.26 80.68 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.752 0 C-N-CA 124.649 1.18 . . . . 10.0 111.303 176.18 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 93' ' ' CYS . . . . . . . . . . . . . 60.8 m -54.88 -45.17 74.61 Favored 'General case' 0 CA--C 1.546 0.808 0 C-N-CA 124.766 1.226 . . . . 10.0 112.464 176.654 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 13.5 t -58.91 -46.2 88.47 Favored 'General case' 0 N--CA 1.476 0.846 0 C-N-CA 125.073 1.349 . . . . 10.0 112.856 171.458 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . -58.07 -41.98 84.55 Favored 'General case' 0 CA--C 1.547 0.85 0 C-N-CA 125.084 1.354 . . . . 10.0 114.3 -176.868 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 96' ' ' LYS . . . . . . . . . . . . . 1.3 ptpm? -73.89 55.0 0.53 Allowed 'General case' 0 N--CA 1.486 1.332 0 C-N-CA 125.663 1.585 . . . . 10.0 113.925 179.171 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 97' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -65.33 149.37 50.1 Favored 'General case' 0 N--CA 1.474 0.763 0 C-N-CA 127.562 2.345 . . . . 10.0 114.251 179.204 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 98' ' ' CYS . . . . . . . . . . . . . 15.6 m -88.17 129.26 35.38 Favored 'General case' 0 CA--C 1.54 0.595 0 C-N-CA 123.942 0.897 . . . . 10.0 111.325 172.425 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 99' ' ' ASP . . . . . . . . . . . . . 6.6 p-10 -64.58 -32.58 74.3 Favored 'General case' 0 CA--C 1.545 0.755 0 C-N-CA 124.421 1.088 . . . . 10.0 113.816 179.698 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 100' ' ' PHE . . . . . . . . . . . . . 14.6 p90 -78.52 -5.79 53.66 Favored 'General case' 0 CA--C 1.543 0.706 0 N-CA-C 115.376 1.621 . . . . 10.0 115.376 -176.041 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 101' ' ' TRP . . . . . 0.494 ' HE1' HG13 ' A' ' 50' ' ' VAL . 17.0 m0 . . . . . 0 N--CA 1.474 0.732 0 CA-C-N 119.809 1.186 . . . . 10.0 113.303 -175.972 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 1' ' ' ARG . . . . . . . . . . . . . 99.8 mtt180 . . . . . 0 N--CA 1.49 1.526 0 N-CA-C 110.15 -0.315 . . . . 10.0 110.15 . . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 2' ' ' VAL . . . . . . . . . . . . . 10.8 p -64.36 145.55 13.77 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.082 0 C-N-CA 124.644 1.178 . . . . 10.0 111.788 176.322 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -75.33 37.3 0.13 Allowed 'General case' 0 CA--C 1.553 1.066 0 C-N-CA 125.721 1.608 . . . . 10.0 114.398 -176.936 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 11.1 mm-40 -78.15 -39.17 41.89 Favored 'General case' 0 N--CA 1.473 0.725 0 C-N-CA 125.038 1.335 . . . . 10.0 111.797 169.921 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 5' ' ' ASN . . . . . . . . . . . . . 1.3 t30 -83.48 60.68 5.79 Favored 'General case' 0 CA--C 1.55 0.978 0 C-N-CA 125.205 1.402 . . . . 10.0 109.989 169.948 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 22.7 ptt-85 -92.87 151.6 40.9 Favored Pre-proline 0 N--CA 1.478 0.961 0 C-N-CA 127.552 2.341 . . . . 10.0 111.382 178.965 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 7' ' ' PRO . . . . . . . . . . . . . 31.6 Cg_endo -59.0 117.94 4.75 Favored 'Trans proline' 0 CA--C 1.538 0.717 0 C-N-CA 122.89 2.393 . . . . 10.0 111.234 -177.553 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . 115.95 -17.02 15.51 Favored Glycine 0 CA--C 1.54 1.65 0 C-N-CA 127.507 2.479 . . . . 10.0 113.899 -169.802 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -61.11 134.1 56.7 Favored 'General case' 0 CA--C 1.545 0.759 0 CA-C-N 119.799 1.799 . . . . 10.0 113.268 -172.09 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 10' ' ' PHE . . . . . . . . . . . . . 20.6 m-30 -60.15 148.2 36.98 Favored 'General case' 0 CA--C 1.541 0.634 0 C-N-CA 124.314 1.046 . . . . 10.0 113.406 174.592 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 67.4 mt -122.38 96.97 4.42 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.506 0 C-N-CA 125.97 1.708 . . . . 10.0 107.061 169.664 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 84.0 mttt -92.07 89.35 6.91 Favored 'General case' 0 N--CA 1.474 0.746 0 C-N-CA 125.111 1.364 . . . . 10.0 110.554 -177.652 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 26.4 mt-30 -79.19 -24.61 43.05 Favored 'General case' 0 CA--C 1.541 0.617 0 C-N-CA 124.099 0.959 . . . . 10.0 111.753 171.995 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . 82.74 6.83 88.11 Favored Glycine 0 CA--C 1.536 1.401 0 C-N-CA 125.025 1.298 . . . . 10.0 114.232 -179.569 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 46.4 ttp180 -69.83 128.33 36.01 Favored 'General case' 0 N--CA 1.47 0.561 0 C-N-CA 127.028 2.131 . . . . 10.0 110.877 177.553 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 48.8 tttm -70.75 133.97 47.03 Favored 'General case' 0 N--CA 1.474 0.751 0 C-N-CA 123.778 0.831 . . . . 10.0 110.66 171.655 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 62.3 mt -105.79 -179.78 4.04 Favored 'General case' 0 CA--C 1.546 0.79 0 C-N-CA 126.918 2.087 . . . . 10.0 111.986 177.775 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 19.7 t0 -130.37 99.45 5.02 Favored 'General case' 0 CA--C 1.542 0.66 0 C-N-CA 126.037 1.735 . . . . 10.0 110.435 175.452 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . 70.0 mt -138.32 134.31 43.87 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.747 0 C-N-CA 127.45 2.3 . . . . 10.0 108.351 -177.64 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 23.6 t0 -86.46 93.13 9.06 Favored 'General case' 0 CA--C 1.541 0.62 0 CA-C-O 122.054 0.931 . . . . 10.0 110.347 169.781 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 21' ' ' PHE . . . . . . . . . . . . . 80.0 m-85 -74.18 -31.4 62.65 Favored 'General case' 0 CA--C 1.54 0.57 0 C-N-CA 126.493 1.917 . . . . 10.0 112.402 172.34 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 120.43 157.66 10.25 Favored Glycine 0 CA--C 1.532 1.14 0 C-N-CA 127.254 2.359 . . . . 10.0 109.914 -169.279 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -40.92 -59.07 1.53 Allowed 'General case' 0 CA--C 1.545 0.767 0 N-CA-C 115.198 1.555 . . . . 10.0 115.198 -169.68 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 9.2 mm-40 -63.12 -46.41 87.45 Favored 'General case' 0 N--CA 1.474 0.761 0 C-N-CA 124.016 0.927 . . . . 10.0 112.237 179.896 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -63.92 -39.14 97.03 Favored Glycine 0 CA--C 1.532 1.141 0 C-N-CA 124.645 1.117 . . . . 10.0 114.091 179.276 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 92.9 m-20 -58.05 -51.83 68.03 Favored 'General case' 0 CA--C 1.536 0.418 0 C-N-CA 126.041 1.736 . . . . 10.0 110.334 174.553 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 39.4 mtm105 -58.78 -46.76 86.79 Favored 'General case' 0 N--CA 1.477 0.914 0 C-N-CA 123.682 0.793 . . . . 10.0 111.823 174.372 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 28' ' ' TYR . . . . . . . . . . . . . 79.7 t80 -58.84 -53.15 61.65 Favored 'General case' 0 CA--C 1.535 0.403 0 C-N-CA 124.016 0.927 . . . . 10.0 112.144 179.851 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 29' ' ' TYR . . . . . . . . . . . . . 80.4 t80 -56.78 -52.05 66.55 Favored 'General case' 0 CA--C 1.536 0.405 0 C-N-CA 124.445 1.098 . . . . 10.0 112.312 175.708 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -50.72 -37.75 43.39 Favored 'General case' 0 CA--C 1.546 0.826 0 N-CA-C 113.541 0.941 . . . . 10.0 113.541 177.485 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -83.33 -23.69 32.43 Favored 'General case' 0 CA--C 1.551 1.006 0 N-CA-C 115.299 1.592 . . . . 10.0 115.299 176.452 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 32' ' ' ASN . . . . . . . . . . . . . 56.2 m-80 -129.93 11.47 5.6 Favored 'General case' 0 CA--C 1.549 0.92 0 N-CA-C 116.736 2.125 . . . . 10.0 116.736 -169.109 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 33' ' ' TYR . . . . . . . . . . . . . 44.4 p90 -50.59 -30.92 14.43 Favored 'General case' 0 N--CA 1.479 0.986 0 N-CA-C 115.207 1.558 . . . . 10.0 115.207 -174.635 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 34' ' ' TRP . . . . . . . . . . . . . 66.2 p-90 -50.03 -34.36 21.11 Favored 'General case' 0 CA--C 1.545 0.772 0 C-N-CA 126.189 1.795 . . . . 10.0 114.472 174.507 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 31.9 mt-30 -70.01 -32.62 70.87 Favored 'General case' 0 N--CA 1.474 0.743 0 N-CA-C 114.34 1.237 . . . . 10.0 114.34 178.552 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 36' ' ' PHE . . . . . . . . . . . . . 68.9 m-85 -79.21 154.94 77.23 Favored Pre-proline 0 CA--C 1.547 0.859 0 C-N-CA 126.221 1.809 . . . . 10.0 114.803 -168.954 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 69.7 Cg_endo -74.08 133.32 17.89 Favored 'Trans proline' 0 CA--C 1.541 0.858 0 C-N-CA 124.008 3.139 . . . . 10.0 110.983 169.866 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 6.3 t70 -85.13 -34.45 22.14 Favored 'General case' 0 N--CA 1.474 0.751 0 C-N-CA 124.067 0.947 . . . . 10.0 111.423 171.369 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . -133.68 174.62 20.67 Favored Glycine 0 CA--C 1.532 1.135 0 C-N-CA 125.686 1.612 . . . . 10.0 112.132 171.991 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 40' ' ' ILE . . . . . . . . . . . . . 96.3 mt -136.69 126.15 37.94 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.628 0 C-N-CA 125.069 1.347 . . . . 10.0 108.562 176.978 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 41' ' ' TYR . . . . . . . . . . . . . 75.5 t80 -71.95 95.48 1.58 Allowed 'General case' 0 CA--C 1.536 0.426 0 C-N-CA 124.077 0.951 . . . . 10.0 109.59 169.848 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 42' ' ' TYR . . . . . . . . . . . . . 88.7 t80 -153.71 134.63 13.86 Favored 'General case' 0 C--O 1.236 0.379 0 C-N-CA 124.924 1.29 . . . . 10.0 109.961 174.281 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 47.0 mt-10 -130.94 80.36 1.94 Allowed 'General case' 0 N--CA 1.469 0.511 0 C-N-CA 125.36 1.464 . . . . 10.0 110.293 -177.339 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . -69.65 -29.26 71.4 Favored Glycine 0 CA--C 1.536 1.362 0 C-N-CA 124.9 1.238 . . . . 10.0 114.006 178.379 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 45' ' ' CYS . . . . . . . . . . . . . 64.5 m -58.29 127.07 30.26 Favored 'General case' 0 CA--C 1.543 0.705 0 C-N-CA 126.293 1.837 . . . . 10.0 112.894 -178.533 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 23.8 t -141.7 -58.71 0.48 Allowed 'General case' 0 N--CA 1.471 0.606 0 C-N-CA 125.59 1.556 . . . . 10.0 111.505 177.207 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 11.2 pt-20 -148.12 160.38 42.96 Favored 'General case' 0 N--CA 1.472 0.645 0 C-N-CA 125.802 1.641 . . . . 10.0 112.006 -179.93 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -55.5 -22.29 20.45 Favored 'General case' 0 CA--C 1.545 0.772 0 N-CA-C 115.811 1.782 . . . . 10.0 115.811 -175.22 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 74.2 m-20 -64.05 -30.54 71.6 Favored 'General case' 0 CA--C 1.546 0.799 0 C-N-CA 124.349 1.06 . . . . 10.0 113.333 171.814 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . 48.5 t -66.11 126.78 26.13 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.842 0 C-N-CA 124.335 1.054 . . . . 10.0 109.02 169.908 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 3.3 m -110.11 165.55 11.66 Favored 'General case' 0 N--CA 1.481 1.095 0 C-N-CA 124.295 1.038 . . . . 10.0 110.328 -176.723 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 82.9 tttt -58.45 -50.63 73.01 Favored 'General case' 0 N--CA 1.472 0.668 0 O-C-N 121.043 -1.036 . . . . 10.0 112.486 177.775 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 46.0 mt-10 -51.62 -45.25 63.2 Favored 'General case' 0 N--CA 1.475 0.802 0 C-N-CA 124.008 0.923 . . . . 10.0 112.48 175.388 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 54' ' ' MET . . . . . . . . . . . . . 89.6 mtp -58.18 -55.33 36.36 Favored 'General case' 0 N--CA 1.471 0.583 0 C-N-CA 124.579 1.152 . . . . 10.0 111.49 172.4 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 8.9 tt -58.68 -52.6 65.02 Favored 'General case' 0 CA--C 1.534 0.348 0 C-N-CA 125.1 1.36 . . . . 10.0 112.773 -176.805 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 46.0 t -58.07 -48.8 83.44 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.909 0 C-N-CA 124.319 1.048 . . . . 10.0 111.051 -178.888 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 57' ' ' THR . . . . . . . . . . . . . 48.7 m -58.27 -50.3 74.09 Favored 'General case' 0 N--CA 1.476 0.856 0 C-N-CA 124.253 1.021 . . . . 10.0 111.781 174.949 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 50.1 m -60.96 -39.79 90.87 Favored 'General case' 0 N--CA 1.472 0.649 0 C-N-CA 124.279 1.032 . . . . 10.0 112.589 178.089 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 59' ' ' CYS . . . . . . . . . . . . . 38.2 t -58.89 -49.55 77.35 Favored 'General case' 0 CA--C 1.536 0.421 0 C-N-CA 126.06 1.744 . . . . 10.0 112.391 173.526 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 60' ' ' VAL . . . . . . . . . . . . . 54.3 t -54.7 -49.61 66.78 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.96 0 C-N-CA 123.931 0.892 . . . . 10.0 111.346 172.241 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 61' ' ' ASN . . . . . . . . . . . . . 19.6 m-80 -58.26 -46.04 86.72 Favored 'General case' 0 CA--C 1.546 0.802 0 C-N-CA 124.731 1.212 . . . . 10.0 113.18 175.558 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -60.88 -47.24 87.27 Favored 'General case' 0 CA--C 1.537 0.453 0 C-N-CA 124.469 1.108 . . . . 10.0 111.31 175.376 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 63' ' ' THR . . . . . . . . . . . . . 28.5 m -55.92 -48.43 75.7 Favored 'General case' 0 N--CA 1.471 0.622 0 C-N-CA 125.135 1.374 . . . . 10.0 111.611 176.916 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 64' ' ' GLN . . . . . . . . . . . . . 68.8 mt-30 -49.81 -60.2 3.12 Favored 'General case' 0 N--CA 1.47 0.573 0 C-N-CA 124.689 1.196 . . . . 10.0 111.843 171.138 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -56.09 -42.89 77.43 Favored 'General case' 0 CA--C 1.544 0.716 0 C-N-CA 125.624 1.569 . . . . 10.0 113.712 -179.29 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -68.61 -42.67 77.79 Favored 'General case' 0 CA--C 1.542 0.667 0 C-N-CA 124.996 1.318 . . . . 10.0 114.101 -179.241 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 67' ' ' ASN . . . . . . . . . . . . . 7.6 m-80 -115.88 39.46 3.03 Favored 'General case' 0 CA--C 1.546 0.789 0 C-N-CA 124.544 1.138 . . . . 10.0 112.532 -169.683 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 68' ' ' GLN . . . . . . . . . . . . . 59.5 mt-30 -51.49 -48.32 62.92 Favored 'General case' 0 N--CA 1.475 0.778 0 C-N-CA 125.631 1.572 . . . . 10.0 113.258 -177.141 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -55.11 -48.78 73.15 Favored 'General case' 0 CA--C 1.541 0.62 0 C-N-CA 125.088 1.355 . . . . 10.0 113.041 179.802 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 10.0 mm-40 -54.36 -56.47 18.23 Favored 'General case' 0 N--CA 1.473 0.693 0 C-N-CA 124.945 1.298 . . . . 10.0 111.165 179.111 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 71' ' ' PHE . . . . . . . . . . . . . 26.3 m-85 -58.33 -51.52 69.44 Favored 'General case' 0 CA--C 1.535 0.398 0 C-N-CA 124.327 1.051 . . . . 10.0 112.224 177.5 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 65.7 m -55.5 -49.69 71.91 Favored 'General case' 0 N--CA 1.474 0.761 0 C-N-CA 124.966 1.306 . . . . 10.0 113.036 -178.749 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 73' ' ' ARG . . . . . . . . . . . . . 98.2 mtt180 -59.84 -51.24 70.55 Favored 'General case' 0 N--CA 1.475 0.784 0 C-N-CA 125.536 1.534 . . . . 10.0 112.187 177.857 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 41.8 mm-40 -66.31 -60.01 3.17 Favored 'General case' 0 CA--C 1.541 0.6 0 C-N-CA 124.676 1.191 . . . . 10.0 113.135 -178.596 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 43.0 tttm -35.26 -51.46 0.57 Allowed 'General case' 0 N--CA 1.479 1.022 0 C-N-CA 128.505 2.722 . . . . 10.0 116.212 -169.957 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 76' ' ' GLN . . . . . . . . . . . . . 17.3 mm100 -60.34 -19.88 57.17 Favored 'General case' 0 CA--C 1.545 0.77 0 N-CA-C 114.566 1.321 . . . . 10.0 114.566 -172.433 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 32.2 t70 -130.32 -45.33 1.11 Allowed 'General case' 0 N--CA 1.473 0.713 0 C-N-CA 125.741 1.616 . . . . 10.0 112.579 175.608 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -78.91 53.91 1.48 Allowed 'General case' 0 CA--C 1.545 0.761 0 C-N-CA 127.937 2.495 . . . . 10.0 112.726 -175.436 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 99.3 mttt -59.21 -48.86 80.04 Favored 'General case' 0 N--CA 1.476 0.869 0 C-N-CA 125.806 1.642 . . . . 10.0 112.815 -175.023 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 44.8 tp -59.34 -44.93 92.59 Favored 'General case' 0 N--CA 1.47 0.569 0 C-N-CA 123.656 0.783 . . . . 10.0 111.817 173.963 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 81' ' ' HIS . . . . . . . . . . . . . 17.2 t-160 -52.02 -52.91 47.67 Favored 'General case' 0 N--CA 1.471 0.595 0 CA-C-O 118.384 -0.817 . . . . 10.0 111.477 176.753 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 82' ' ' GLN . . . . . . . . . . . . . 20.6 mm100 -49.68 -54.19 20.11 Favored 'General case' 0 N--CA 1.472 0.636 0 C-N-CA 123.814 0.846 . . . . 10.0 112.554 176.756 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 83' ' ' ARG . . . . . . . . . . . . . 71.5 ttt-85 -51.35 -56.6 12.22 Favored 'General case' 0 N--CA 1.478 0.941 0 C-N-CA 124.345 1.058 . . . . 10.0 112.329 178.052 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 84' ' ' VAL . . . . . . . . . . . . . 45.9 t -58.52 -50.55 78.51 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.924 0 C-N-CA 125.809 1.643 . . . . 10.0 110.984 179.119 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 85' ' ' LEU . . . . . . . . . . . . . 48.9 tp -55.18 -50.34 69.59 Favored 'General case' 0 CA--C 1.537 0.476 0 C-N-CA 126.446 1.898 . . . . 10.0 112.313 177.461 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 86' ' ' TRP . . . . . . . . . . . . . 61.0 m95 -60.82 -43.68 97.89 Favored 'General case' 0 N--CA 1.47 0.528 0 N-CA-C 113.885 1.069 . . . . 10.0 113.885 175.489 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 87' ' ' ARG . . . . . . . . . . . . . 37.4 tpt85 -55.68 -45.51 77.76 Favored 'General case' 0 N--CA 1.476 0.849 0 C-N-CA 123.602 0.761 . . . . 10.0 112.116 173.246 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 88' ' ' LEU . . . . . . . . . . . . . 34.1 tp -64.51 -49.69 70.32 Favored 'General case' 0 CA--C 1.541 0.61 0 C-N-CA 125.037 1.335 . . . . 10.0 112.956 173.289 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 89' ' ' ILE . . . . . . . . . . . . . 66.8 mt -50.04 -49.39 21.9 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.82 0 CA-C-N 119.422 1.01 . . . . 10.0 110.429 173.649 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 85.4 tttt -56.82 -47.88 79.29 Favored 'General case' 0 N--CA 1.469 0.477 0 CA-C-O 118.123 -0.942 . . . . 10.0 112.699 173.463 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 25.2 tp10 -51.35 -50.82 58.75 Favored 'General case' 0 N--CA 1.475 0.794 0 CA-C-N 119.816 1.189 . . . . 10.0 112.34 173.562 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 92' ' ' ILE . . . . . . . . . . . . . 93.8 mt -58.1 -52.44 58.59 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.771 0 C-N-CA 124.837 1.255 . . . . 10.0 111.155 175.442 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 93' ' ' CYS . . . . . . . . . . . . . 81.1 m -56.26 -45.94 79.87 Favored 'General case' 0 CA--C 1.545 0.787 0 C-N-CA 124.403 1.081 . . . . 10.0 112.639 178.066 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 58.0 m -60.38 -38.45 83.99 Favored 'General case' 0 N--CA 1.475 0.782 0 C-N-CA 125.552 1.541 . . . . 10.0 113.68 171.806 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . -64.95 -51.64 60.7 Favored 'General case' 0 CA--C 1.544 0.718 0 C-N-CA 124.569 1.148 . . . . 10.0 113.118 -179.372 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 96' ' ' LYS . . . . . . . . . . . . . 1.5 ptpm? -59.81 119.15 7.13 Favored 'General case' 0 N--CA 1.48 1.033 0 C-N-CA 123.772 0.829 . . . . 10.0 111.897 178.849 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 97' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER -130.62 141.96 50.44 Favored 'General case' 0 N--CA 1.468 0.459 0 C-N-CA 126.063 1.745 . . . . 10.0 113.957 -169.888 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 98' ' ' CYS . . . . . . . . . . . . . 34.1 m -83.43 131.77 35.01 Favored 'General case' 0 CA--C 1.537 0.473 0 C-N-CA 123.53 0.732 . . . . 10.0 112.256 -179.477 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 99' ' ' ASP . . . . . . . . . . . . . 31.9 t70 -59.21 -38.96 81.21 Favored 'General case' 0 CA--C 1.543 0.702 0 C-N-CA 124.778 1.231 . . . . 10.0 113.022 178.138 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 100' ' ' PHE . . . . . . . . . . . . . 5.8 p90 -68.96 -14.24 62.92 Favored 'General case' 0 CA--C 1.544 0.721 0 N-CA-C 115.39 1.626 . . . . 10.0 115.39 -178.838 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 101' ' ' TRP . . . . . . . . . . . . . 22.1 m0 -57.96 129.83 43.76 Favored 'General case' 0 N--CA 1.472 0.674 0 CA-C-N 120.067 1.303 . . . . 10.0 112.672 -176.494 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 102' ' ' LEU . . . . . . . . . . . . . 4.3 pp -146.96 168.1 22.32 Favored 'General case' 0 CA--C 1.54 0.56 0 C-N-CA 127.124 2.17 . . . . 10.0 111.489 -170.43 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 46.5 mt-10 -76.37 92.86 3.39 Favored 'General case' 0 CA--C 1.542 0.665 0 C-N-CA 123.872 0.869 . . . . 10.0 110.942 176.246 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 104' ' ' ARG . . . . . . . . . . . . . 24.1 mtm180 -66.28 153.7 41.89 Favored 'General case' 0 N--CA 1.476 0.872 0 C-N-CA 124.672 1.189 . . . . 10.0 111.547 173.986 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 105' ' ' GLY . . . . . . . . . . . . . . . -137.46 131.09 5.37 Favored Glycine 0 CA--C 1.532 1.136 0 C-N-CA 125.252 1.406 . . . . 10.0 112.601 -179.036 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 106' ' ' ALA . . . . . . . . . . . . . . . -147.92 152.46 37.58 Favored 'General case' 0 CA--C 1.545 0.788 0 C-N-CA 126.139 1.776 . . . . 10.0 111.503 178.556 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 107' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.253 1.251 0 C-N-CA 125.349 1.46 . . . . 10.0 113.025 177.164 . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 1' ' ' ARG . . . . . . . . . . . . . 72.7 ttp85 . . . . . 0 N--CA 1.489 1.517 0 CA-C-O 119.232 -0.413 . . . . 10.0 110.793 . . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 2' ' ' VAL . . . . . . . . . . . . . 9.9 p -109.99 147.09 14.55 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.964 0 C-N-CA 125.96 1.704 . . . . 10.0 111.725 -179.394 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -70.79 155.19 41.08 Favored 'General case' 0 CA--C 1.545 0.768 0 C-N-CA 124.249 1.02 . . . . 10.0 112.421 174.022 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 29.1 mm-40 -66.71 -31.03 71.42 Favored 'General case' 0 N--CA 1.474 0.731 0 C-N-CA 124.301 1.041 . . . . 10.0 111.807 170.713 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 5' ' ' ASN . . . . . . . . . . . . . 13.6 t-20 -78.2 59.46 2.27 Favored 'General case' 0 CA--C 1.548 0.894 0 C-N-CA 126.117 1.767 . . . . 10.0 110.71 172.74 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -83.34 157.84 64.55 Favored Pre-proline 0 CA--C 1.546 0.802 0 C-N-CA 127.011 2.124 . . . . 10.0 112.154 171.978 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 7' ' ' PRO . . . . . . . . . . . . . 82.4 Cg_exo -48.68 124.72 11.46 Favored 'Trans proline' 0 C--N 1.35 0.651 0 C-N-CA 123.984 3.123 . . . . 10.0 113.662 178.808 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . 112.17 -20.37 21.51 Favored Glycine 0 CA--C 1.534 1.257 0 C-N-CA 126.184 1.849 . . . . 10.0 114.149 -174.019 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -57.93 129.82 43.66 Favored 'General case' 0 CA--C 1.547 0.838 0 CA-C-N 119.318 1.559 . . . . 10.0 113.445 -171.793 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 10' ' ' PHE . . . . . . . . . . . . . 14.7 m-30 -57.16 144.84 33.44 Favored 'General case' 0 CA--C 1.541 0.625 0 C-N-CA 125.055 1.342 . . . . 10.0 112.816 173.628 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 73.7 mt -122.33 105.66 16.56 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.509 0 C-N-CA 125.357 1.463 . . . . 10.0 107.165 169.799 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 78.5 mttt -106.64 107.38 18.36 Favored 'General case' 0 N--CA 1.471 0.615 0 C-N-CA 126.063 1.745 . . . . 10.0 109.638 178.069 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 31.8 mt-30 -112.78 -40.47 4.01 Favored 'General case' 0 CA--C 1.538 0.512 0 C-N-CA 127.616 2.367 . . . . 10.0 110.789 -178.459 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . 106.35 62.72 0.6 Allowed Glycine 0 CA--C 1.528 0.891 0 C-N-CA 125.825 1.679 . . . . 10.0 111.038 179.351 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 57.7 ttp85 -136.4 102.54 4.99 Favored 'General case' 0 N--CA 1.469 0.523 0 C-N-CA 126.538 1.935 . . . . 10.0 110.42 -169.665 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 40.9 tttm -65.91 129.95 41.56 Favored 'General case' 0 N--CA 1.473 0.702 0 C-N-CA 124.391 1.076 . . . . 10.0 111.307 179.348 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 65.0 mt -95.2 -179.87 4.95 Favored 'General case' 0 CA--C 1.547 0.84 0 C-N-CA 126.451 1.9 . . . . 10.0 111.986 174.25 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 25.9 t70 -129.18 100.42 5.61 Favored 'General case' 0 CA--C 1.542 0.651 0 C-N-CA 125.365 1.466 . . . . 10.0 110.501 173.616 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . 73.1 mt -135.32 131.89 52.04 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.707 0 C-N-CA 127.472 2.309 . . . . 10.0 108.018 -176.097 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 24.1 t0 -89.74 84.68 6.3 Favored 'General case' 0 CA--C 1.54 0.576 0 CA-C-O 122.048 0.928 . . . . 10.0 110.955 172.529 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 21' ' ' PHE . . . . . . . . . . . . . 83.8 m-85 -62.91 -43.16 99.54 Favored 'General case' 0 CA--C 1.539 0.553 0 C-N-CA 127.0 2.12 . . . . 10.0 111.89 170.837 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 132.16 157.47 8.64 Favored Glycine 0 CA--C 1.532 1.115 0 C-N-CA 128.186 2.803 . . . . 10.0 109.087 -169.306 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -40.63 -59.29 1.4 Allowed 'General case' 0 CA--C 1.547 0.848 0 CA-C-N 119.354 1.577 . . . . 10.0 115.151 -169.612 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 5.3 tp10 -65.7 -40.11 91.95 Favored 'General case' 0 N--CA 1.474 0.76 0 C-N-CA 124.01 0.924 . . . . 10.0 112.869 -179.553 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -67.49 -41.63 90.14 Favored Glycine 0 CA--C 1.533 1.204 0 C-N-CA 124.41 1.005 . . . . 10.0 113.66 177.344 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 78.5 m-20 -56.09 -50.53 70.77 Favored 'General case' 0 CA--C 1.535 0.399 0 C-N-CA 126.434 1.894 . . . . 10.0 110.27 172.354 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 30.8 mtp85 -55.09 -51.83 65.13 Favored 'General case' 0 N--CA 1.475 0.807 0 C-N-CA 125.613 1.565 . . . . 10.0 111.151 174.122 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 28' ' ' TYR . . . . . . . . . . . . . 62.6 t80 -57.77 -54.81 42.7 Favored 'General case' 0 CA--C 1.536 0.429 0 C-N-CA 124.369 1.068 . . . . 10.0 112.675 179.148 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 29' ' ' TYR . . . . . . . . . . . . . 78.8 t80 -56.62 -52.39 65.03 Favored 'General case' 0 CA--C 1.537 0.481 0 C-N-CA 124.249 1.02 . . . . 10.0 112.204 177.028 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -51.06 -39.66 56.51 Favored 'General case' 0 CA--C 1.546 0.792 0 N-CA-C 113.507 0.929 . . . . 10.0 113.507 177.087 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -80.66 -26.16 37.8 Favored 'General case' 0 CA--C 1.551 1.004 0 N-CA-C 115.18 1.548 . . . . 10.0 115.18 176.562 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 32' ' ' ASN . . . . . . . . . . . . . 55.6 m-80 -127.93 10.69 6.5 Favored 'General case' 0 CA--C 1.548 0.866 0 N-CA-C 116.914 2.19 . . . . 10.0 116.914 -169.021 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 33' ' ' TYR . . . . . . . . . . . . . 47.3 p90 -50.24 -31.53 14.28 Favored 'General case' 0 N--CA 1.479 1.004 0 C-N-CA 125.394 1.477 . . . . 10.0 114.834 -175.371 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 34' ' ' TRP . . . . . . . . . . . . . 64.9 p-90 -50.64 -33.65 23.25 Favored 'General case' 0 CA--C 1.545 0.781 0 C-N-CA 126.142 1.777 . . . . 10.0 114.445 173.803 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 30.7 mt-30 -69.59 -35.64 75.52 Favored 'General case' 0 N--CA 1.474 0.731 0 C-N-CA 124.354 1.062 . . . . 10.0 113.491 176.392 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 36' ' ' PHE . . . . . . . . . . . . . 54.3 m-85 -76.57 153.16 83.56 Favored Pre-proline 0 CA--C 1.544 0.724 0 C-N-CA 125.887 1.675 . . . . 10.0 113.256 -169.652 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 87.7 Cg_endo -73.36 102.71 1.51 Allowed 'Trans proline' 0 CA--C 1.537 0.638 0 C-N-CA 123.428 2.752 . . . . 10.0 109.951 169.591 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 3.3 p30 -66.67 -27.82 67.96 Favored 'General case' 0 N--CA 1.474 0.77 0 O-C-N 120.777 -1.202 . . . . 10.0 112.292 176.402 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . -125.95 165.44 19.12 Favored Glycine 0 CA--C 1.536 1.376 0 C-N-CA 125.404 1.478 . . . . 10.0 111.332 169.105 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 40' ' ' ILE . . . . . . . . . . . . . 95.2 mt -136.68 124.73 34.13 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.781 0 C-N-CA 124.802 1.241 . . . . 10.0 108.717 173.408 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 41' ' ' TYR . . . . . . . . . . . . . 85.7 t80 -73.23 117.68 15.27 Favored 'General case' 0 CA--C 1.534 0.357 0 C-N-CA 124.047 0.939 . . . . 10.0 109.494 169.961 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 42' ' ' TYR . . . . . . . . . . . . . 79.6 t80 -152.63 154.29 35.05 Favored 'General case' 0 CA--C 1.54 0.567 0 C-N-CA 124.004 0.922 . . . . 10.0 111.611 176.611 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 44.7 mt-10 -125.88 94.21 4.05 Favored 'General case' 0 N--CA 1.469 0.514 0 C-N-CA 125.873 1.669 . . . . 10.0 110.233 -176.691 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . -90.96 -55.64 1.84 Allowed Glycine 0 CA--C 1.532 1.102 0 C-N-CA 125.166 1.365 . . . . 10.0 113.978 -172.618 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 45' ' ' CYS . . . . . . . . . . . . . 74.3 m -56.64 118.88 5.29 Favored 'General case' 0 CA--C 1.546 0.808 0 C-N-CA 125.426 1.491 . . . . 10.0 112.551 177.685 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 66.6 p -137.84 -58.72 0.67 Allowed 'General case' 0 N--CA 1.473 0.679 0 C-N-CA 126.175 1.79 . . . . 10.0 111.353 171.077 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 12.2 pt-20 -143.72 153.23 42.24 Favored 'General case' 0 CA--C 1.542 0.67 0 C-N-CA 126.168 1.787 . . . . 10.0 112.761 177.048 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -54.05 -25.37 21.17 Favored 'General case' 0 CA--C 1.546 0.793 0 C-N-CA 126.138 1.775 . . . . 10.0 115.423 -175.262 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 78.5 m-20 -60.61 -30.7 70.01 Favored 'General case' 0 CA--C 1.544 0.741 0 C-N-CA 124.675 1.19 . . . . 10.0 113.353 174.729 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . 59.8 t -65.52 109.9 1.1 Allowed 'Isoleucine or valine' 0 N--CA 1.477 0.879 0 C-N-CA 124.822 1.249 . . . . 10.0 110.183 175.475 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 44.2 p -83.01 174.97 10.41 Favored 'General case' 0 N--CA 1.478 0.943 0 C-N-CA 124.673 1.189 . . . . 10.0 112.113 175.771 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 84.9 tttt -60.03 -50.0 75.46 Favored 'General case' 0 N--CA 1.474 0.773 0 O-C-N 121.163 -0.961 . . . . 10.0 111.799 169.806 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 44.9 mt-10 -51.29 -48.6 62.22 Favored 'General case' 0 N--CA 1.471 0.594 0 C-N-CA 124.072 0.949 . . . . 10.0 111.726 175.428 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 54' ' ' MET . . . . . . . . . . . . . 97.2 mtp -57.07 -56.26 24.08 Favored 'General case' 0 N--CA 1.469 0.479 0 C-N-CA 124.027 0.931 . . . . 10.0 112.441 172.029 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 6.4 tt -58.47 -55.18 38.4 Favored 'General case' 0 CA--C 1.54 0.559 0 C-N-CA 124.943 1.297 . . . . 10.0 112.18 -174.616 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 99.6 t -57.42 -48.65 82.31 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.822 0 C-N-CA 125.679 1.592 . . . . 10.0 111.252 -179.722 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 57' ' ' THR . . . . . . . . . . . . . 63.8 m -61.42 -47.76 84.3 Favored 'General case' 0 N--CA 1.478 0.947 0 C-N-CA 124.183 0.993 . . . . 10.0 111.749 176.691 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 61.6 m -60.04 -38.57 83.16 Favored 'General case' 0 N--CA 1.47 0.554 0 C-N-CA 124.221 1.008 . . . . 10.0 112.357 176.57 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 59' ' ' CYS . . . . . . . . . . . . . 34.6 t -57.65 -49.64 75.79 Favored 'General case' 0 CA--C 1.539 0.524 0 C-N-CA 124.988 1.315 . . . . 10.0 112.9 171.588 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 60' ' ' VAL . . . . . . . . . . . . . 42.4 t -55.67 -48.98 77.06 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.135 0 CA-C-N 119.258 0.935 . . . . 10.0 111.585 172.666 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 61' ' ' ASN . . . . . . . . . . . . . 18.2 m-80 -58.78 -45.24 90.26 Favored 'General case' 0 CA--C 1.544 0.726 0 C-N-CA 124.554 1.142 . . . . 10.0 112.949 176.076 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -61.54 -46.15 91.14 Favored 'General case' 0 CA--C 1.538 0.516 0 C-N-CA 124.411 1.085 . . . . 10.0 111.371 175.032 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 63' ' ' THR . . . . . . . . . . . . . 33.9 m -54.87 -49.01 72.21 Favored 'General case' 0 N--CA 1.472 0.644 0 C-N-CA 125.447 1.499 . . . . 10.0 111.757 175.865 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 64' ' ' GLN . . . . . . . . . . . . . 71.2 mt-30 -50.26 -59.35 4.05 Favored 'General case' 0 N--CA 1.469 0.522 0 C-N-CA 124.594 1.157 . . . . 10.0 112.054 171.753 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -56.04 -42.19 76.17 Favored 'General case' 0 CA--C 1.546 0.798 0 C-N-CA 125.441 1.496 . . . . 10.0 113.744 179.819 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -70.65 -35.64 72.99 Favored 'General case' 0 CA--C 1.545 0.757 0 C-N-CA 125.234 1.414 . . . . 10.0 114.656 -178.788 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 67' ' ' ASN . . . . . . . . . . . . . 7.1 m-80 -124.73 40.35 3.76 Favored 'General case' 0 N--CA 1.476 0.845 0 C-N-CA 124.042 0.937 . . . . 10.0 113.108 -169.631 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 68' ' ' GLN . . . . . . . . . . . . . 92.1 mt-30 -52.89 -46.7 68.09 Favored 'General case' 0 N--CA 1.475 0.793 0 C-N-CA 125.806 1.642 . . . . 10.0 113.611 -176.046 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -55.03 -49.32 71.87 Favored 'General case' 0 CA--C 1.541 0.613 0 C-N-CA 124.993 1.317 . . . . 10.0 112.767 179.796 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 10.4 mm-40 -56.39 -51.57 67.83 Favored 'General case' 0 N--CA 1.471 0.582 0 C-N-CA 124.941 1.297 . . . . 10.0 111.862 178.831 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 71' ' ' PHE . . . . . . . . . . . . . 34.6 m-85 -61.03 -43.12 99.36 Favored 'General case' 0 N--CA 1.468 0.473 0 C-N-CA 123.749 0.819 . . . . 10.0 112.851 175.922 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 56.9 m -58.1 -49.96 75.15 Favored 'General case' 0 N--CA 1.473 0.71 0 C-N-CA 124.451 1.1 . . . . 10.0 112.187 176.195 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 73' ' ' ARG . . . . . . . . . . . . . 93.7 mtt180 -58.38 -61.16 2.78 Favored 'General case' 0 N--CA 1.475 0.808 0 C-N-CA 126.273 1.829 . . . . 10.0 111.994 176.252 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 67.1 mm-40 -79.92 47.23 0.86 Allowed 'General case' 0 N--CA 1.473 0.714 0 C-N-CA 125.821 1.648 . . . . 10.0 112.714 -173.854 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 84.4 tttt -147.29 -33.55 0.27 Allowed 'General case' 0 N--CA 1.475 0.795 0 C-N-CA 126.705 2.002 . . . . 10.0 113.32 178.758 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 76' ' ' GLN . . . . . . . . . . . . . 92.6 mm-40 -48.14 -48.12 34.37 Favored 'General case' 0 N--CA 1.476 0.865 0 C-N-CA 125.629 1.572 . . . . 10.0 113.185 -177.883 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 25.4 t0 -139.51 57.22 1.64 Allowed 'General case' 0 CA--C 1.545 0.763 0 C-N-CA 125.284 1.433 . . . . 10.0 110.344 169.947 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 10.7 t -153.54 131.2 11.5 Favored 'General case' 0 N--CA 1.472 0.656 0 C-N-CA 125.34 1.456 . . . . 10.0 111.46 -178.867 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 24.4 ttmm -124.57 -59.59 1.44 Allowed 'General case' 0 N--CA 1.478 0.933 0 C-N-CA 126.22 1.808 . . . . 10.0 111.358 -177.151 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 50.1 tp -51.25 -44.01 61.64 Favored 'General case' 0 CA--C 1.538 0.515 0 C-N-CA 125.514 1.525 . . . . 10.0 112.203 176.767 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 81' ' ' HIS . . . . . . . . . . . . . 8.7 t-160 -56.28 -54.16 48.72 Favored 'General case' 0 N--CA 1.468 0.462 0 CA-C-O 118.078 -0.963 . . . . 10.0 111.806 177.064 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 82' ' ' GLN . . . . . . . . . . . . . 89.2 mm-40 -49.9 -54.41 19.8 Favored 'General case' 0 N--CA 1.477 0.91 0 CA-C-N 119.539 1.063 . . . . 10.0 112.176 177.015 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 83' ' ' ARG . . . . . . . . . . . . . 25.7 mmm180 -50.98 -55.68 16.14 Favored 'General case' 0 N--CA 1.479 0.977 0 C-N-CA 124.916 1.287 . . . . 10.0 112.296 -179.817 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 84' ' ' VAL . . . . . . . . . . . . . 43.4 t -63.19 -49.51 82.91 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.819 0 C-N-CA 125.408 1.483 . . . . 10.0 111.108 178.292 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 85' ' ' LEU . . . . . . . . . . . . . 46.2 tp -56.29 -46.41 79.77 Favored 'General case' 0 N--CA 1.47 0.545 0 C-N-CA 126.277 1.831 . . . . 10.0 112.939 -179.923 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 86' ' ' TRP . . . . . . . . . . . . . 64.9 m95 -63.5 -44.21 94.98 Favored 'General case' 0 N--CA 1.467 0.408 0 N-CA-C 113.719 1.007 . . . . 10.0 113.719 175.841 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 87' ' ' ARG . . . . . . . . . . . . . 14.8 tpt180 -56.82 -50.82 71.23 Favored 'General case' 0 N--CA 1.475 0.794 0 CA-C-N 118.741 0.7 . . . . 10.0 111.507 170.585 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 88' ' ' LEU . . . . . . . . . . . . . 2.4 tm? -51.66 -55.07 21.54 Favored 'General case' 0 CA--C 1.544 0.726 0 C-N-CA 126.389 1.876 . . . . 10.0 111.782 175.44 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 89' ' ' ILE . . . . . . . . . . . . . 74.2 mt -53.53 -52.47 32.72 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.798 0 C-N-CA 124.683 1.193 . . . . 10.0 110.965 174.074 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 39.9 ttmt -58.84 -43.46 90.71 Favored 'General case' 0 N--CA 1.47 0.571 0 C-N-CA 124.431 1.092 . . . . 10.0 113.259 -179.688 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 51.4 mm-40 -56.35 -48.89 75.88 Favored 'General case' 0 N--CA 1.473 0.719 0 CA-C-N 119.713 1.142 . . . . 10.0 111.996 172.464 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 92' ' ' ILE . . . . . . . . . . . . . 96.8 mt -57.82 -51.42 70.54 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.802 0 C-N-CA 124.186 0.994 . . . . 10.0 111.115 174.296 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 93' ' ' CYS . . . . . . . . . . . . . 92.1 m -56.97 -45.47 82.89 Favored 'General case' 0 CA--C 1.546 0.798 0 C-N-CA 124.096 0.958 . . . . 10.0 112.66 175.603 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 70.5 m -54.76 -38.04 66.71 Favored 'General case' 0 N--CA 1.476 0.874 0 C-N-CA 125.989 1.716 . . . . 10.0 113.546 177.156 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . -67.17 -17.08 64.68 Favored 'General case' 0 CA--C 1.548 0.892 0 N-CA-C 114.789 1.403 . . . . 10.0 114.789 178.455 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 96' ' ' LYS . . . . . . . . . . . . . 46.4 mttm -77.25 59.62 1.82 Allowed 'General case' 0 N--CA 1.481 1.114 0 C-N-CA 125.6 1.56 . . . . 10.0 113.168 -173.929 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 97' ' ' HIS . . . . . 0.413 ' HA ' ' CZ3' ' A' ' 101' ' ' TRP . 0.3 OUTLIER -68.45 126.25 29.04 Favored 'General case' 0 N--CA 1.471 0.618 0 C-N-CA 124.665 1.186 . . . . 10.0 112.428 177.754 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 98' ' ' CYS . . . . . . . . . . . . . 17.7 t -82.28 144.67 30.45 Favored 'General case' 0 CA--C 1.542 0.641 0 N-CA-C 113.315 0.858 . . . . 10.0 113.315 -178.248 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 99' ' ' ASP . . . . . . . . . . . . . 31.5 t70 -61.46 -48.3 81.75 Favored 'General case' 0 CA--C 1.542 0.654 0 C-N-CA 125.995 1.718 . . . . 10.0 113.582 179.208 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 100' ' ' PHE . . . . . . . . . . . . . 1.0 OUTLIER -71.55 -10.45 59.78 Favored 'General case' 0 N--CA 1.473 0.681 0 N-CA-C 115.432 1.641 . . . . 10.0 115.432 -173.397 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 101' ' ' TRP . . . . . 0.413 ' CZ3' ' HA ' ' A' ' 97' ' ' HIS . 42.2 m0 -55.99 129.93 41.77 Favored 'General case' 0 N--CA 1.473 0.709 0 CA-C-N 119.684 1.129 . . . . 10.0 113.674 -176.986 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 102' ' ' LEU . . . . . . . . . . . . . 7.0 mp -70.22 156.33 39.39 Favored 'General case' 0 CA--C 1.542 0.661 0 C-N-CA 126.366 1.866 . . . . 10.0 111.877 -176.468 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 38.6 tt0 -72.06 104.45 3.58 Favored 'General case' 0 CA--C 1.543 0.679 0 C-N-CA 124.073 0.949 . . . . 10.0 110.949 174.144 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 104' ' ' ARG . . . . . . . . . . . . . 9.4 mmm180 -125.97 152.52 45.57 Favored 'General case' 0 N--CA 1.477 0.888 0 C-N-CA 126.076 1.75 . . . . 10.0 111.609 179.267 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 105' ' ' GLY . . . . . . . . . . . . . . . -83.57 166.01 43.07 Favored Glycine 0 CA--C 1.536 1.404 0 C-N-CA 124.755 1.169 . . . . 10.0 113.652 177.88 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 106' ' ' ALA . . . . . . . . . . . . . . . -66.97 152.12 46.34 Favored 'General case' 0 CA--C 1.547 0.864 0 C-N-CA 124.622 1.169 . . . . 10.0 112.812 176.044 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 107' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.255 1.379 0 C-N-CA 126.57 1.948 . . . . 10.0 112.028 178.798 . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' 1' ' ' ARG . . . . . . . . . . . . . 39.8 ptt180 . . . . . 0 N--CA 1.491 1.6 0 N-CA-C 111.504 0.187 . . . . 10.0 111.504 . . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' 2' ' ' VAL . . . . . . . . . . . . . 30.3 t -91.65 -82.4 0.17 Allowed 'Isoleucine or valine' 0 N--CA 1.481 1.088 0 C-N-CA 124.639 1.176 . . . . 10.0 111.296 -176.912 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -153.92 -159.7 1.01 Allowed 'General case' 0 CA--C 1.55 0.943 0 C-N-CA 125.192 1.397 . . . . 10.0 112.187 -171.439 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 46.1 mt-10 -60.25 -33.21 71.97 Favored 'General case' 0 N--CA 1.477 0.877 0 C-N-CA 126.333 1.853 . . . . 10.0 113.242 175.144 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 5' ' ' ASN . . . . . . . . . . . . . 2.5 m120 -121.57 66.75 0.89 Allowed 'General case' 0 CA--C 1.54 0.562 0 C-N-CA 126.315 1.846 . . . . 10.0 109.742 175.41 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 4.0 ptp180 -72.61 146.21 88.24 Favored Pre-proline 0 N--CA 1.475 0.816 0 C-N-CA 124.746 1.219 . . . . 10.0 109.7 169.162 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 7' ' ' PRO . . . . . . . . . . . . . 75.2 Cg_exo -50.58 114.77 1.6 Allowed 'Trans proline' 0 CA--C 1.541 0.828 0 C-N-CA 123.043 2.495 . . . . 10.0 112.414 175.77 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . 111.09 -10.99 29.21 Favored Glycine 0 CA--C 1.539 1.54 0 C-N-CA 126.404 1.954 . . . . 10.0 115.081 -173.95 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -59.2 130.64 47.94 Favored 'General case' 0 CA--C 1.545 0.769 0 CA-C-N 120.21 2.005 . . . . 10.0 113.405 -173.045 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 10' ' ' PHE . . . . . . . . . . . . . 15.3 m-30 -58.6 147.0 33.99 Favored 'General case' 0 CA--C 1.541 0.625 0 C-N-CA 123.853 0.861 . . . . 10.0 112.572 170.715 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 65.1 mt -120.92 94.93 3.23 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.468 0 C-N-CA 125.878 1.671 . . . . 10.0 106.995 169.725 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 58.5 mtmt -91.71 80.51 5.31 Favored 'General case' 0 N--CA 1.475 0.792 0 C-N-CA 125.598 1.559 . . . . 10.0 111.119 -173.303 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 24.3 mt-30 -74.21 -31.59 62.69 Favored 'General case' 0 N--CA 1.472 0.655 0 C-N-CA 123.795 0.838 . . . . 10.0 111.478 169.962 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . 74.35 58.91 4.07 Favored Glycine 0 CA--C 1.532 1.136 0 C-N-CA 124.895 1.236 . . . . 10.0 112.063 178.535 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 33.7 ttp180 -124.16 133.24 53.62 Favored 'General case' 0 N--CA 1.473 0.686 0 C-N-CA 127.226 2.211 . . . . 10.0 110.304 -172.359 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 79.8 tttt -73.21 100.93 3.22 Favored 'General case' 0 N--CA 1.475 0.777 0 C-N-CA 125.487 1.515 . . . . 10.0 111.888 -176.076 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 68.9 mt -78.95 163.21 25.42 Favored 'General case' 0 CA--C 1.544 0.734 0 C-N-CA 126.567 1.947 . . . . 10.0 112.356 177.109 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 11.4 m-20 -103.77 91.39 3.98 Favored 'General case' 0 CA--C 1.544 0.732 0 C-N-CA 126.112 1.765 . . . . 10.0 110.473 175.621 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . 78.9 mt -136.92 129.95 44.97 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.892 0 C-N-CA 126.608 1.963 . . . . 10.0 108.564 -179.202 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 23.0 t0 -92.23 84.93 5.29 Favored 'General case' 0 N--CA 1.471 0.588 0 C-N-CA 123.998 0.919 . . . . 10.0 110.594 172.525 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 21' ' ' PHE . . . . . . . . . . . . . 84.7 m-85 -63.78 -36.48 84.02 Favored 'General case' 0 CA--C 1.538 0.493 0 C-N-CA 127.104 2.161 . . . . 10.0 112.808 175.739 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 125.93 158.9 10.09 Favored Glycine 0 CA--C 1.533 1.211 0 C-N-CA 127.656 2.55 . . . . 10.0 110.154 -169.471 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -42.6 -57.05 2.85 Favored 'General case' 0 CA--C 1.548 0.868 0 N-CA-C 115.384 1.624 . . . . 10.0 115.384 -169.729 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 31.2 mm-40 -64.14 -47.39 80.12 Favored 'General case' 0 N--CA 1.473 0.716 0 C-N-CA 124.074 0.95 . . . . 10.0 112.188 178.973 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -64.15 -39.1 96.83 Favored Glycine 0 CA--C 1.532 1.096 0 C-N-CA 124.457 1.027 . . . . 10.0 113.975 179.832 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 94.2 m-20 -57.77 -51.39 69.74 Favored 'General case' 0 CA--C 1.536 0.431 0 C-N-CA 125.754 1.622 . . . . 10.0 110.452 173.651 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 72.9 mtp85 -58.57 -47.17 85.16 Favored 'General case' 0 N--CA 1.475 0.79 0 C-N-CA 124.938 1.295 . . . . 10.0 111.644 176.038 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 28' ' ' TYR . . . . . . . . . . . . . 71.5 t80 -59.19 -54.15 50.23 Favored 'General case' 0 CA--C 1.536 0.407 0 C-N-CA 124.574 1.149 . . . . 10.0 111.896 177.727 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 29' ' ' TYR . . . . . . . . . . . . . 74.0 t80 -56.64 -52.02 66.49 Favored 'General case' 0 CA--C 1.535 0.391 0 C-N-CA 124.917 1.287 . . . . 10.0 112.537 177.514 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -50.36 -35.77 29.41 Favored 'General case' 0 CA--C 1.546 0.809 0 N-CA-C 113.802 1.038 . . . . 10.0 113.802 177.06 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -86.25 -19.01 30.59 Favored 'General case' 0 CA--C 1.551 1.005 0 N-CA-C 115.151 1.537 . . . . 10.0 115.151 176.345 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 32' ' ' ASN . . . . . . . . . . . . . 64.0 m-80 -131.16 6.44 4.55 Favored 'General case' 0 CA--C 1.548 0.888 0 N-CA-C 116.842 2.164 . . . . 10.0 116.842 -169.239 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 33' ' ' TYR . . . . . . . . . . . . . 41.0 p90 -50.22 -29.85 10.32 Favored 'General case' 0 N--CA 1.479 0.976 0 C-N-CA 125.906 1.682 . . . . 10.0 115.256 -175.125 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 34' ' ' TRP . . . . . . . . . . . . . 64.7 p-90 -51.34 -35.64 39.21 Favored 'General case' 0 CA--C 1.545 0.762 0 C-N-CA 126.138 1.775 . . . . 10.0 114.041 173.105 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 30.1 mt-30 -70.55 -39.56 73.9 Favored 'General case' 0 N--CA 1.473 0.709 0 C-N-CA 124.897 1.279 . . . . 10.0 113.801 177.731 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 36' ' ' PHE . . . . . . . . . . . . . 71.7 m-85 -68.52 153.45 95.71 Favored Pre-proline 0 CA--C 1.546 0.791 0 C-N-CA 125.823 1.649 . . . . 10.0 115.333 -168.968 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 97.4 Cg_endo -71.77 128.24 13.98 Favored 'Trans proline' 0 CA--C 1.539 0.754 0 C-N-CA 123.591 2.86 . . . . 10.0 110.449 169.803 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 8.6 t70 -84.7 -34.47 22.95 Favored 'General case' 0 CA--C 1.543 0.676 0 C-N-CA 124.977 1.311 . . . . 10.0 111.525 173.445 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . -131.87 172.02 21.12 Favored Glycine 0 CA--C 1.532 1.13 0 C-N-CA 125.835 1.683 . . . . 10.0 111.886 171.341 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 40' ' ' ILE . . . . . . . . . . . . . 96.8 mt -136.74 124.54 33.26 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.568 0 C-N-CA 125.038 1.335 . . . . 10.0 108.367 173.836 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 41' ' ' TYR . . . . . . . . . . . . . 86.3 t80 -71.61 101.15 2.44 Favored 'General case' 0 CA--C 1.538 0.496 0 C-N-CA 123.79 0.836 . . . . 10.0 110.05 170.272 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 42' ' ' TYR . . . . . . . . . . . . . 89.5 t80 -156.62 137.1 13.06 Favored 'General case' 0 CA--C 1.534 0.343 0 C-N-CA 125.337 1.455 . . . . 10.0 110.02 173.043 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 43.9 mt-10 -131.5 81.38 1.98 Allowed 'General case' 0 N--CA 1.47 0.551 0 C-N-CA 125.465 1.506 . . . . 10.0 110.462 -174.562 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . -76.09 -38.63 34.54 Favored Glycine 0 CA--C 1.534 1.255 0 C-N-CA 124.866 1.222 . . . . 10.0 113.848 -179.465 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 45' ' ' CYS . . . . . . . . . . . . . 63.8 m -55.83 112.15 1.1 Allowed 'General case' 0 CA--C 1.543 0.679 0 C-N-CA 125.995 1.718 . . . . 10.0 112.507 -176.782 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 49.6 m -131.83 -57.27 0.99 Allowed 'General case' 0 N--CA 1.474 0.75 0 C-N-CA 125.723 1.609 . . . . 10.0 111.713 -175.198 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 11.2 pt-20 -149.59 160.74 43.24 Favored 'General case' 0 CA--C 1.541 0.6 0 C-N-CA 125.943 1.697 . . . . 10.0 111.652 179.9 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -53.05 -27.45 19.84 Favored 'General case' 0 CA--C 1.547 0.829 0 C-N-CA 126.041 1.736 . . . . 10.0 115.358 -175.292 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 73.9 m-20 -62.43 -30.71 71.43 Favored 'General case' 0 CA--C 1.545 0.753 0 C-N-CA 124.65 1.18 . . . . 10.0 113.555 174.941 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . 61.7 t -68.47 117.57 10.9 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.884 0 C-N-CA 124.69 1.196 . . . . 10.0 109.692 173.792 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 44.8 p -97.55 176.64 5.78 Favored 'General case' 0 N--CA 1.478 0.948 0 C-N-CA 124.705 1.202 . . . . 10.0 112.354 179.428 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 39.8 ttpt -61.59 -56.09 23.73 Favored 'General case' 0 N--CA 1.473 0.677 0 C-N-CA 123.842 0.857 . . . . 10.0 112.177 172.132 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 12.6 pt-20 -54.16 -38.79 65.92 Favored 'General case' 0 N--CA 1.472 0.66 0 N-CA-C 112.747 0.647 . . . . 10.0 112.747 177.543 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 54' ' ' MET . . . . . . . . . . . . . 94.3 mtp -59.99 -58.21 9.54 Favored 'General case' 0 N--CA 1.469 0.494 0 C-N-CA 123.586 0.754 . . . . 10.0 111.527 169.564 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 9.4 tt -59.27 -53.89 53.11 Favored 'General case' 0 N--CA 1.467 0.385 0 C-N-CA 124.341 1.057 . . . . 10.0 112.768 -174.513 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 31.8 t -59.03 -47.46 89.88 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.851 0 C-N-CA 124.179 0.991 . . . . 10.0 111.019 -176.203 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 57' ' ' THR . . . . . . . . . . . . . 48.0 m -58.83 -50.3 74.48 Favored 'General case' 0 N--CA 1.477 0.884 0 C-N-CA 124.432 1.093 . . . . 10.0 111.873 173.939 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 50.5 m -60.44 -40.48 91.29 Favored 'General case' 0 N--CA 1.473 0.689 0 C-N-CA 124.106 0.962 . . . . 10.0 112.577 178.262 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 59' ' ' CYS . . . . . . . . . . . . . 42.2 t -58.92 -50.1 75.32 Favored 'General case' 0 CA--C 1.536 0.433 0 C-N-CA 125.999 1.72 . . . . 10.0 112.337 173.467 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 60' ' ' VAL . . . . . . . . . . . . . 45.6 t -54.29 -50.28 57.62 Favored 'Isoleucine or valine' 0 N--CA 1.479 1.002 0 C-N-CA 123.904 0.882 . . . . 10.0 111.302 171.657 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 61' ' ' ASN . . . . . . . . . . . . . 15.8 m-80 -57.94 -44.79 87.17 Favored 'General case' 0 CA--C 1.544 0.75 0 C-N-CA 124.59 1.156 . . . . 10.0 113.334 176.218 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -60.89 -48.65 80.85 Favored 'General case' 0 CA--C 1.539 0.554 0 C-N-CA 124.211 1.004 . . . . 10.0 111.056 174.116 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 63' ' ' THR . . . . . . . . . . . . . 32.4 m -53.67 -50.14 66.46 Favored 'General case' 0 N--CA 1.471 0.617 0 C-N-CA 125.571 1.548 . . . . 10.0 111.723 177.073 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 64' ' ' GLN . . . . . . . . . . . . . 42.1 mt-30 -47.35 -60.85 2.22 Favored 'General case' 0 N--CA 1.471 0.597 0 C-N-CA 125.432 1.493 . . . . 10.0 111.985 173.156 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -56.93 -42.86 80.8 Favored 'General case' 0 CA--C 1.544 0.713 0 C-N-CA 125.637 1.575 . . . . 10.0 113.227 179.462 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -67.16 -37.76 84.29 Favored 'General case' 0 CA--C 1.543 0.695 0 C-N-CA 125.221 1.409 . . . . 10.0 114.712 -178.131 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 67' ' ' ASN . . . . . . . . . . . . . 8.6 m-80 -122.05 41.14 3.46 Favored 'General case' 0 CA--C 1.548 0.87 0 C-N-CA 124.538 1.135 . . . . 10.0 112.68 -169.79 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 68' ' ' GLN . . . . . . . . . . . . . 60.3 mt-30 -54.24 -44.86 72.13 Favored 'General case' 0 N--CA 1.475 0.799 0 C-N-CA 125.461 1.504 . . . . 10.0 113.362 -178.684 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -56.88 -39.18 73.88 Favored 'General case' 0 CA--C 1.543 0.69 0 C-N-CA 124.969 1.308 . . . . 10.0 113.279 177.683 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 5.5 mm-40 -64.63 -58.69 5.64 Favored 'General case' 0 N--CA 1.469 0.504 0 C-N-CA 124.502 1.121 . . . . 10.0 110.425 173.984 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 71' ' ' PHE . . . . . . . . . . . . . 30.0 m-85 -61.31 -29.07 69.65 Favored 'General case' 0 N--CA 1.471 0.589 0 N-CA-C 114.718 1.377 . . . . 10.0 114.718 -177.54 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 66.3 m -63.93 -57.2 10.49 Favored 'General case' 0 N--CA 1.473 0.686 0 C-N-CA 123.94 0.896 . . . . 10.0 111.758 172.696 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 73' ' ' ARG . . . . . . . . . . . . . 13.2 mtp-105 -65.35 -53.26 46.18 Favored 'General case' 0 N--CA 1.475 0.814 0 C-N-CA 126.118 1.767 . . . . 10.0 112.712 -179.861 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 76.1 mm-40 -79.84 46.8 0.81 Allowed 'General case' 0 CA--C 1.546 0.805 0 C-N-CA 126.045 1.738 . . . . 10.0 112.766 -174.876 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 41.4 ttmt -155.31 -61.46 0.11 Allowed 'General case' 0 N--CA 1.471 0.61 0 C-N-CA 128.831 2.852 . . . . 10.0 110.526 -176.187 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 76' ' ' GLN . . . . . . . . . . . . . 81.8 mm-40 -56.37 -54.02 50.43 Favored 'General case' 0 CA--C 1.538 0.491 0 C-N-CA 125.574 1.55 . . . . 10.0 111.696 178.874 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 26.8 t70 -83.56 -57.55 3.19 Favored 'General case' 0 CA--C 1.543 0.688 0 C-N-CA 123.786 0.835 . . . . 10.0 111.4 171.373 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 16.3 m -80.82 86.22 6.03 Favored 'General case' 0 N--CA 1.472 0.634 0 C-N-CA 125.12 1.368 . . . . 10.0 112.998 -173.24 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 63.0 tttp -55.45 -63.64 1.1 Allowed 'General case' 0 N--CA 1.477 0.918 0 C-N-CA 126.049 1.74 . . . . 10.0 113.429 -178.194 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 48.0 tp -66.34 -31.01 71.54 Favored 'General case' 0 N--CA 1.474 0.73 0 C-N-CA 125.047 1.339 . . . . 10.0 113.611 -175.147 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 81' ' ' HIS . . . . . . . . . . . . . 7.4 t-160 -51.68 -45.07 63.31 Favored 'General case' 0 N--CA 1.472 0.645 0 C-N-CA 124.585 1.154 . . . . 10.0 112.886 -171.466 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 82' ' ' GLN . . . . . . . . . . . . . 75.9 mm-40 -45.73 -59.54 2.72 Favored 'General case' 0 N--CA 1.475 0.787 0 C-N-CA 125.414 1.486 . . . . 10.0 113.366 178.059 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 83' ' ' ARG . . . . . . . . . . . . . 11.0 tpt180 -46.0 -57.06 4.73 Favored 'General case' 0 N--CA 1.481 1.118 0 C-N-CA 125.886 1.674 . . . . 10.0 111.839 177.825 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 84' ' ' VAL . . . . . . . . . . . . . 5.7 t -61.96 -54.08 39.27 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.589 0 C-N-CA 125.559 1.544 . . . . 10.0 110.85 -178.22 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 85' ' ' LEU . . . . . . . . . . . . . 32.8 tp -56.46 -50.9 70.36 Favored 'General case' 0 CA--C 1.537 0.478 0 C-N-CA 126.202 1.801 . . . . 10.0 112.619 -179.354 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 86' ' ' TRP . . . . . . . . . . . . . 59.7 m95 -60.29 -43.37 96.34 Favored 'General case' 0 N--CA 1.468 0.472 0 N-CA-C 113.673 0.99 . . . . 10.0 113.673 176.329 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 87' ' ' ARG . . . . . . . . . . . . . 14.4 tpt180 -56.66 -49.95 73.53 Favored 'General case' 0 N--CA 1.471 0.624 0 CA-C-N 118.832 0.742 . . . . 10.0 111.072 172.425 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 88' ' ' LEU . . . . . . . . . . . . . 1.5 tt -54.65 -52.98 60.62 Favored 'General case' 0 CA--C 1.545 0.768 0 C-N-CA 124.515 1.126 . . . . 10.0 111.801 175.83 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 89' ' ' ILE . . . . . . . . . . . . . 74.4 mt -50.3 -52.06 16.19 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.73 0 C-N-CA 124.831 1.252 . . . . 10.0 111.062 174.065 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 96.9 mttt -59.47 -44.45 93.01 Favored 'General case' 0 N--CA 1.473 0.707 0 C-N-CA 124.401 1.081 . . . . 10.0 113.428 177.624 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 65.9 mm-40 -53.53 -51.57 62.44 Favored 'General case' 0 N--CA 1.474 0.746 0 CA-C-N 119.71 1.141 . . . . 10.0 111.765 170.887 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 92' ' ' ILE . . . . . . . . . . . . . 96.7 mt -57.65 -53.5 43.85 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.935 0 C-N-CA 124.269 1.028 . . . . 10.0 111.651 175.331 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 93' ' ' CYS . . . . . . . . . . . . . 62.8 m -56.37 -40.2 74.17 Favored 'General case' 0 CA--C 1.545 0.762 0 C-N-CA 124.707 1.203 . . . . 10.0 112.52 179.419 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 50.5 m -63.31 -45.63 90.43 Favored 'General case' 0 N--CA 1.476 0.842 0 C-N-CA 125.046 1.339 . . . . 10.0 112.7 171.477 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . -59.99 -39.58 86.23 Favored 'General case' 0 CA--C 1.545 0.759 0 C-N-CA 125.492 1.517 . . . . 10.0 114.225 -175.58 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 96' ' ' LYS . . . . . . . . . . . . . 1.1 ptpm? -72.99 49.8 0.25 Allowed 'General case' 0 N--CA 1.485 1.287 0 C-N-CA 125.739 1.615 . . . . 10.0 113.995 178.414 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 97' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -64.66 142.15 58.53 Favored 'General case' 0 N--CA 1.472 0.655 0 C-N-CA 127.127 2.171 . . . . 10.0 113.619 179.092 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 98' ' ' CYS . . . . . . . . . . . . . 33.1 m -79.48 137.82 37.35 Favored 'General case' 0 CA--C 1.539 0.539 0 C-N-CA 123.329 0.651 . . . . 10.0 112.29 177.816 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 99' ' ' ASP . . . . . . . . . . . . . 31.8 t70 -61.81 -39.48 91.91 Favored 'General case' 0 CA--C 1.544 0.712 0 C-N-CA 124.705 1.202 . . . . 10.0 112.877 176.645 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 100' ' ' PHE . . . . . . . . . . . . . 6.1 p90 -68.66 -13.67 62.52 Favored 'General case' 0 CA--C 1.544 0.714 0 N-CA-C 115.738 1.755 . . . . 10.0 115.738 -175.536 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 101' ' ' TRP . . . . . . . . . . . . . 42.7 m0 -57.09 116.35 3.18 Favored 'General case' 0 N--CA 1.474 0.764 0 CA-C-N 119.942 1.246 . . . . 10.0 112.692 -178.117 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 102' ' ' LEU . . . . . . . . . . . . . 5.3 mp -76.51 153.65 35.31 Favored 'General case' 0 CA--C 1.541 0.61 0 C-N-CA 125.587 1.555 . . . . 10.0 112.266 -176.247 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 38.9 tt0 -63.81 -40.62 97.05 Favored 'General case' 0 CA--C 1.545 0.782 0 C-N-CA 124.365 1.066 . . . . 10.0 111.31 169.582 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 104' ' ' ARG . . . . . . . . . . . . . 1.9 tmm_? -135.29 120.89 19.39 Favored 'General case' 0 N--CA 1.472 0.654 0 C-N-CA 127.281 2.232 . . . . 10.0 110.126 178.78 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 105' ' ' GLY . . . . . . . . . . . . . . . -89.9 165.82 32.16 Favored Glycine 0 CA--C 1.536 1.401 0 C-N-CA 124.771 1.177 . . . . 10.0 112.962 173.654 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 106' ' ' ALA . . . . . . . . . . . . . . . -144.44 146.53 32.52 Favored 'General case' 0 CA--C 1.545 0.763 0 C-N-CA 125.267 1.427 . . . . 10.0 112.01 -179.783 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 107' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.253 1.241 0 C-N-CA 125.579 1.552 . . . . 10.0 112.956 176.997 . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 1' ' ' ARG . . . . . . . . . . . . . 31.9 tpt85 . . . . . 0 N--CA 1.488 1.448 0 N-CA-C 110.169 -0.308 . . . . 10.0 110.169 . . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 2' ' ' VAL . . . . . . . . . . . . . 14.4 p -60.14 135.57 24.67 Favored 'Isoleucine or valine' 0 N--CA 1.479 0.999 0 C-N-CA 124.376 1.07 . . . . 10.0 111.776 174.597 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -80.02 93.93 5.83 Favored 'General case' 0 CA--C 1.541 0.622 0 C-N-CA 124.491 1.117 . . . . 10.0 110.765 173.574 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 12.5 pt-20 -75.77 -39.4 57.13 Favored 'General case' 0 N--CA 1.473 0.683 0 C-N-CA 124.116 0.966 . . . . 10.0 111.893 172.804 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 5' ' ' ASN . . . . . . . . . . . . . 14.8 t-20 -79.97 62.83 4.31 Favored 'General case' 0 CA--C 1.546 0.798 0 C-N-CA 126.087 1.755 . . . . 10.0 110.566 173.373 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 14.1 ptp180 -94.42 156.06 39.05 Favored Pre-proline 0 N--CA 1.476 0.836 0 C-N-CA 126.299 1.84 . . . . 10.0 111.577 173.258 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 7' ' ' PRO . . . . . . . . . . . . . 84.1 Cg_exo -48.18 118.72 3.38 Favored 'Trans proline' 0 CA--C 1.54 0.787 0 C-N-CA 123.603 2.868 . . . . 10.0 112.791 175.427 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . 116.78 -21.97 10.99 Favored Glycine 0 CA--C 1.536 1.395 0 C-N-CA 127.091 2.281 . . . . 10.0 114.247 -171.38 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -59.16 134.1 56.69 Favored 'General case' 0 CA--C 1.545 0.77 0 CA-C-N 119.698 1.749 . . . . 10.0 113.137 -170.786 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 10' ' ' PHE . . . . . . . . . . . . . 19.9 m-30 -60.17 149.09 33.93 Favored 'General case' 0 CA--C 1.541 0.607 0 O-C-N 121.409 -0.807 . . . . 10.0 112.89 174.835 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 66.5 mt -117.81 96.23 4.31 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.464 0 C-N-CA 125.973 1.709 . . . . 10.0 106.568 169.506 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 58.8 mtmt -94.58 79.86 3.82 Favored 'General case' 0 N--CA 1.474 0.744 0 C-N-CA 125.356 1.462 . . . . 10.0 110.896 -173.239 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 26.1 mt-30 -72.95 -29.92 63.46 Favored 'General case' 0 N--CA 1.472 0.653 0 C-N-CA 124.038 0.935 . . . . 10.0 111.247 169.861 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . 75.68 22.2 75.42 Favored Glycine 0 CA--C 1.535 1.301 0 C-N-CA 124.913 1.244 . . . . 10.0 113.694 -179.86 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 24.9 ttp180 -71.08 136.06 48.05 Favored 'General case' 0 N--CA 1.471 0.614 0 C-N-CA 126.571 1.949 . . . . 10.0 110.819 175.699 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 77.1 tttt -77.36 98.83 5.36 Favored 'General case' 0 N--CA 1.473 0.721 0 C-N-CA 124.896 1.279 . . . . 10.0 110.675 175.6 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 85.9 mt -74.24 176.91 6.21 Favored 'General case' 0 CA--C 1.546 0.8 0 C-N-CA 125.938 1.695 . . . . 10.0 112.529 179.047 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 18.9 t0 -127.17 95.01 4.16 Favored 'General case' 0 CA--C 1.541 0.63 0 C-N-CA 125.922 1.689 . . . . 10.0 110.507 175.729 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . 71.5 mt -135.13 130.2 51.3 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.742 0 C-N-CA 127.341 2.257 . . . . 10.0 108.061 -176.993 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 23.4 t0 -87.21 84.3 7.27 Favored 'General case' 0 CA--C 1.539 0.537 0 CA-C-O 121.962 0.887 . . . . 10.0 110.678 171.775 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 21' ' ' PHE . . . . . . . . . . . . . 87.1 m-85 -62.14 -42.45 99.26 Favored 'General case' 0 CA--C 1.54 0.596 0 C-N-CA 126.573 1.949 . . . . 10.0 111.74 171.696 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 127.87 163.2 11.31 Favored Glycine 0 CA--C 1.533 1.206 0 C-N-CA 127.635 2.54 . . . . 10.0 110.384 -169.604 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -43.29 -54.52 4.56 Favored 'General case' 0 CA--C 1.547 0.861 0 N-CA-C 115.434 1.642 . . . . 10.0 115.434 -169.853 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 52.1 mt-10 -61.16 -52.65 63.97 Favored 'General case' 0 N--CA 1.473 0.7 0 C-N-CA 124.786 1.234 . . . . 10.0 111.787 177.91 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -67.5 -37.69 90.1 Favored Glycine 0 CA--C 1.53 0.994 0 C-N-CA 124.836 1.207 . . . . 10.0 114.183 -175.984 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 88.0 m-20 -57.22 -52.74 64.1 Favored 'General case' 0 CA--C 1.535 0.372 0 C-N-CA 125.712 1.605 . . . . 10.0 110.072 173.844 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 94.9 mtt-85 -59.27 -46.79 87.57 Favored 'General case' 0 N--CA 1.474 0.76 0 C-N-CA 124.662 1.185 . . . . 10.0 111.888 176.423 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 28' ' ' TYR . . . . . . . . . . . . . 73.9 t80 -59.35 -55.62 32.44 Favored 'General case' 0 CA--C 1.535 0.391 0 C-N-CA 124.295 1.038 . . . . 10.0 112.182 177.985 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 29' ' ' TYR . . . . . . . . . . . . . 78.3 t80 -56.79 -50.85 71.09 Favored 'General case' 0 CA--C 1.535 0.394 0 C-N-CA 124.641 1.176 . . . . 10.0 112.285 178.198 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -50.51 -31.26 14.94 Favored 'General case' 0 CA--C 1.547 0.846 0 N-CA-C 114.072 1.138 . . . . 10.0 114.072 177.1 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -92.91 -23.55 18.73 Favored 'General case' 0 CA--C 1.553 1.059 0 C-N-CA 126.007 1.723 . . . . 10.0 115.04 176.815 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 32' ' ' ASN . . . . . . . . . . . . . 59.8 m-80 -126.65 7.89 6.91 Favored 'General case' 0 N--CA 1.477 0.909 0 N-CA-C 116.155 1.909 . . . . 10.0 116.155 -169.288 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 33' ' ' TYR . . . . . . . . . . . . . 55.2 p90 -46.18 -34.6 4.43 Favored 'General case' 0 N--CA 1.477 0.885 0 C-N-CA 127.236 2.214 . . . . 10.0 115.276 -177.32 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 34' ' ' TRP . . . . . . . . . . . . . 64.7 p-90 -50.65 -35.09 28.95 Favored 'General case' 0 CA--C 1.545 0.781 0 C-N-CA 126.349 1.86 . . . . 10.0 114.427 176.297 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 32.0 mt-30 -69.33 -40.13 77.77 Favored 'General case' 0 N--CA 1.474 0.76 0 C-N-CA 124.604 1.162 . . . . 10.0 113.665 178.222 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 36' ' ' PHE . . . . . . . . . . . . . 82.4 m-85 -69.21 155.4 93.62 Favored Pre-proline 0 CA--C 1.546 0.805 0 C-N-CA 126.592 1.957 . . . . 10.0 115.399 -169.053 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 70.8 Cg_endo -73.41 142.94 34.04 Favored 'Trans proline' 0 CA--C 1.539 0.772 0 C-N-CA 123.492 2.795 . . . . 10.0 110.855 169.574 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 6.3 t70 -94.6 -36.76 11.66 Favored 'General case' 0 CA--C 1.54 0.591 0 C-N-CA 125.394 1.478 . . . . 10.0 111.386 172.876 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . -134.8 176.76 19.76 Favored Glycine 0 CA--C 1.532 1.149 0 C-N-CA 125.78 1.657 . . . . 10.0 112.11 171.579 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 40' ' ' ILE . . . . . . . . . . . . . 97.1 mt -135.05 124.49 42.96 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.549 0 C-N-CA 125.248 1.419 . . . . 10.0 108.463 176.245 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 41' ' ' TYR . . . . . . . . . . . . . 64.9 t80 -72.25 88.41 1.15 Allowed 'General case' 0 CA--C 1.536 0.424 0 C-N-CA 125.079 1.352 . . . . 10.0 109.767 171.792 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 42' ' ' TYR . . . . . . . . . . . . . 88.5 t80 -149.12 131.04 15.21 Favored 'General case' 0 C--O 1.235 0.304 0 C-N-CA 125.017 1.327 . . . . 10.0 109.969 175.686 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 47.4 mt-10 -128.75 70.42 1.39 Allowed 'General case' 0 CA--C 1.539 0.533 0 C-N-CA 125.806 1.642 . . . . 10.0 109.776 -173.28 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . -63.16 -31.48 80.87 Favored Glycine 0 CA--C 1.536 1.378 0 C-N-CA 125.089 1.328 . . . . 10.0 114.499 -177.673 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 45' ' ' CYS . . . . . . . . . . . . . 83.1 m -55.54 109.23 0.52 Allowed 'General case' 0 CA--C 1.543 0.703 0 C-N-CA 126.133 1.773 . . . . 10.0 112.491 -178.967 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 51.0 m -125.81 -56.25 1.48 Allowed 'General case' 0 N--CA 1.474 0.747 0 C-N-CA 125.708 1.603 . . . . 10.0 111.96 -176.456 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 12.2 pt-20 -149.38 158.14 43.91 Favored 'General case' 0 N--CA 1.471 0.602 0 C-N-CA 125.923 1.689 . . . . 10.0 111.593 179.694 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -52.81 -27.87 20.05 Favored 'General case' 0 CA--C 1.545 0.785 0 N-CA-C 115.28 1.585 . . . . 10.0 115.28 -176.376 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 82.6 m-20 -65.15 -27.55 68.8 Favored 'General case' 0 CA--C 1.546 0.824 0 C-N-CA 124.761 1.225 . . . . 10.0 113.889 175.421 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . 60.7 t -65.82 115.48 3.98 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.913 0 C-N-CA 124.674 1.19 . . . . 10.0 109.262 172.168 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 53.8 p -88.12 173.05 9.06 Favored 'General case' 0 N--CA 1.477 0.886 0 C-N-CA 123.718 0.807 . . . . 10.0 112.02 178.929 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 82.2 tttt -62.41 -52.1 64.9 Favored 'General case' 0 N--CA 1.471 0.616 0 O-C-N 121.322 -0.861 . . . . 10.0 111.931 171.05 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 12.5 pt-20 -54.32 -40.01 67.56 Favored 'General case' 0 N--CA 1.473 0.701 0 N-CA-C 112.846 0.684 . . . . 10.0 112.846 176.178 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 54' ' ' MET . . . . . . . . . . . . . 92.8 mtp -58.19 -58.42 8.55 Favored 'General case' 0 N--CA 1.47 0.564 0 C-N-CA 123.575 0.75 . . . . 10.0 111.472 169.529 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 8.9 tt -59.39 -53.03 62.84 Favored 'General case' 0 CA--C 1.536 0.408 0 C-N-CA 124.461 1.105 . . . . 10.0 113.035 -174.382 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 88.0 t -57.0 -47.09 84.07 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.868 0 C-N-CA 125.375 1.47 . . . . 10.0 111.106 -178.58 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 57' ' ' THR . . . . . . . . . . . . . 45.0 m -62.81 -47.45 83.41 Favored 'General case' 0 N--CA 1.477 0.92 0 C-N-CA 124.287 1.035 . . . . 10.0 111.683 174.9 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 48.9 m -59.39 -37.55 78.26 Favored 'General case' 0 N--CA 1.471 0.611 0 C-N-CA 124.228 1.011 . . . . 10.0 112.578 176.784 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 59' ' ' CYS . . . . . . . . . . . . . 36.2 t -57.71 -50.2 74.0 Favored 'General case' 0 CA--C 1.536 0.407 0 C-N-CA 125.494 1.518 . . . . 10.0 112.663 172.689 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 60' ' ' VAL . . . . . . . . . . . . . 54.6 t -54.94 -49.82 67.56 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.071 0 CA-C-N 119.444 1.02 . . . . 10.0 111.355 172.663 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 61' ' ' ASN . . . . . . . . . . . . . 21.1 m-80 -58.1 -45.54 87.07 Favored 'General case' 0 CA--C 1.546 0.796 0 C-N-CA 124.514 1.126 . . . . 10.0 112.995 176.616 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -61.1 -48.43 81.71 Favored 'General case' 0 CA--C 1.538 0.502 0 C-N-CA 124.442 1.097 . . . . 10.0 111.241 174.881 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 63' ' ' THR . . . . . . . . . . . . . 29.7 m -54.23 -49.46 69.41 Favored 'General case' 0 N--CA 1.471 0.621 0 C-N-CA 125.416 1.486 . . . . 10.0 111.634 177.37 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 64' ' ' GLN . . . . . . . . . . . . . 81.2 mt-30 -50.69 -58.38 6.01 Favored 'General case' 0 CA--C 1.539 0.545 0 C-N-CA 125.056 1.342 . . . . 10.0 111.946 172.154 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -57.47 -39.76 77.07 Favored 'General case' 0 CA--C 1.546 0.805 0 C-N-CA 125.635 1.574 . . . . 10.0 114.126 179.973 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -74.28 -41.6 60.96 Favored 'General case' 0 CA--C 1.543 0.684 0 C-N-CA 125.039 1.336 . . . . 10.0 114.169 -179.333 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 67' ' ' ASN . . . . . . . . . . . . . 11.2 m-80 -114.19 38.31 3.07 Favored 'General case' 0 N--CA 1.474 0.765 0 C-N-CA 124.4 1.08 . . . . 10.0 112.272 -169.817 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 68' ' ' GLN . . . . . . . . . . . . . 91.2 mt-30 -50.99 -52.39 43.16 Favored 'General case' 0 N--CA 1.472 0.656 0 C-N-CA 125.561 1.544 . . . . 10.0 112.521 -177.747 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -54.65 -46.32 73.97 Favored 'General case' 0 CA--C 1.543 0.697 0 C-N-CA 124.964 1.306 . . . . 10.0 113.271 179.417 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 6.0 mm-40 -55.53 -52.56 63.28 Favored 'General case' 0 N--CA 1.473 0.693 0 C-N-CA 124.825 1.25 . . . . 10.0 111.3 177.41 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 71' ' ' PHE . . . . . . . . . . . . . 33.7 m-85 -61.05 -55.79 28.59 Favored 'General case' 0 CA--C 1.535 0.368 0 C-N-CA 123.924 0.89 . . . . 10.0 112.287 176.079 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 60.7 m -53.72 -49.04 68.97 Favored 'General case' 0 N--CA 1.473 0.707 0 C-N-CA 125.038 1.335 . . . . 10.0 113.599 -178.168 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 73' ' ' ARG . . . . . . . . . . . . . 22.9 mtm105 -55.77 -51.66 66.63 Favored 'General case' 0 N--CA 1.476 0.873 0 C-N-CA 124.197 0.999 . . . . 10.0 112.546 176.787 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 43.9 mm-40 -67.62 -63.64 1.02 Allowed 'General case' 0 CA--C 1.541 0.602 0 C-N-CA 124.287 1.035 . . . . 10.0 113.177 179.161 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 64.8 tttm -44.69 -37.28 3.6 Favored 'General case' 0 N--CA 1.48 1.038 0 C-N-CA 128.384 2.674 . . . . 10.0 115.76 -169.819 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 76' ' ' GLN . . . . . . . . . . . . . 18.8 mm100 -54.57 -27.55 39.69 Favored 'General case' 0 CA--C 1.547 0.845 0 C-N-CA 125.135 1.374 . . . . 10.0 114.395 176.608 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 31.4 t70 -136.72 -39.91 0.63 Allowed 'General case' 0 CA--C 1.547 0.849 0 C-N-CA 125.43 1.492 . . . . 10.0 113.849 -177.445 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 1.6 t -76.37 75.48 3.14 Favored 'General case' 0 CA--C 1.544 0.718 0 C-N-CA 127.732 2.413 . . . . 10.0 113.057 -170.994 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 41.1 ttmt -56.59 -65.79 0.55 Allowed 'General case' 0 N--CA 1.477 0.908 0 C-N-CA 126.41 1.884 . . . . 10.0 113.457 -173.053 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 43.5 tp -62.37 -40.41 96.36 Favored 'General case' 0 N--CA 1.47 0.554 0 C-N-CA 123.989 0.916 . . . . 10.0 112.493 -176.823 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 81' ' ' HIS . . . . . . . . . . . . . 14.2 t-160 -51.0 -49.28 60.74 Favored 'General case' 0 N--CA 1.471 0.6 0 C-N-CA 123.558 0.743 . . . . 10.0 112.395 -177.947 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 82' ' ' GLN . . . . . . . . . . . . . 92.8 mm-40 -50.43 -53.92 25.86 Favored 'General case' 0 N--CA 1.472 0.646 0 C-N-CA 124.169 0.988 . . . . 10.0 112.713 177.597 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 83' ' ' ARG . . . . . . . . . . . . . 74.7 mtp180 -49.48 -55.3 13.74 Favored 'General case' 0 N--CA 1.482 1.127 0 C-N-CA 125.021 1.329 . . . . 10.0 111.947 178.395 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 84' ' ' VAL . . . . . . . . . . . . . 17.0 t -62.04 -51.77 68.49 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.8 0 C-N-CA 126.022 1.729 . . . . 10.0 111.167 179.381 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 85' ' ' LEU . . . . . . . . . . . . . 49.0 tp -56.27 -50.56 71.02 Favored 'General case' 0 N--CA 1.467 0.423 0 C-N-CA 126.079 1.752 . . . . 10.0 112.649 179.86 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 86' ' ' TRP . . . . . . . . . . . . . 72.5 m95 -60.82 -42.2 97.2 Favored 'General case' 0 N--CA 1.469 0.487 0 N-CA-C 113.489 0.922 . . . . 10.0 113.489 176.078 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 87' ' ' ARG . . . . . . . . . . . . . 14.2 tpt180 -56.42 -49.15 75.37 Favored 'General case' 0 N--CA 1.473 0.723 0 CA-C-N 118.712 0.687 . . . . 10.0 111.569 169.953 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 88' ' ' LEU . . . . . . . . . . . . . 1.4 tt -57.45 -50.93 71.43 Favored 'General case' 0 CA--C 1.546 0.801 0 C-N-CA 124.165 0.986 . . . . 10.0 111.99 176.405 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 89' ' ' ILE . . . . . . . . . . . . . 83.6 mt -50.4 -49.05 24.95 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.796 0 C-N-CA 124.539 1.136 . . . . 10.0 110.843 172.45 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 56.2 tttp -59.21 -46.96 87.05 Favored 'General case' 0 N--CA 1.472 0.642 0 C-N-CA 124.332 1.053 . . . . 10.0 113.118 175.345 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 79.7 mm-40 -53.47 -45.95 69.75 Favored 'General case' 0 N--CA 1.476 0.868 0 CA-C-N 119.865 1.211 . . . . 10.0 112.278 172.313 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 92' ' ' ILE . . . . . . . . . . . . . 96.3 mt -61.29 -57.3 12.75 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.838 0 C-N-CA 123.954 0.901 . . . . 10.0 111.137 173.375 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 93' ' ' CYS . . . . . . . . . . . . . 75.7 m -57.25 -48.92 77.63 Favored 'General case' 0 CA--C 1.542 0.651 0 C-N-CA 124.127 0.971 . . . . 10.0 112.647 -177.257 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 80.4 p -60.53 -26.69 67.07 Favored 'General case' 0 N--CA 1.477 0.914 0 N-CA-C 114.719 1.377 . . . . 10.0 114.719 178.175 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . -69.46 -28.34 66.01 Favored 'General case' 0 CA--C 1.548 0.874 0 N-CA-C 113.776 1.028 . . . . 10.0 113.776 172.918 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 96' ' ' LYS . . . . . . . . . . . . . 36.7 mttm -62.84 119.06 8.64 Favored 'General case' 0 N--CA 1.477 0.88 0 C-N-CA 124.964 1.306 . . . . 10.0 112.245 -175.509 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 97' ' ' HIS . . . . . 0.412 ' HA ' ' CZ3' ' A' ' 101' ' ' TRP . 0.2 OUTLIER -130.73 140.74 50.35 Favored 'General case' 0 CA--C 1.537 0.452 0 C-N-CA 126.128 1.771 . . . . 10.0 114.032 -176.718 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 98' ' ' CYS . . . . . . . . . . . . . 40.8 m -97.5 134.66 40.43 Favored 'General case' 0 CA--C 1.537 0.455 0 C-N-CA 123.974 0.909 . . . . 10.0 112.115 179.559 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 99' ' ' ASP . . . . . . . . . . . . . 32.1 t70 -58.2 -38.87 77.58 Favored 'General case' 0 CA--C 1.543 0.679 0 C-N-CA 124.821 1.248 . . . . 10.0 112.946 177.209 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 100' ' ' PHE . . . . . . . . . . . . . 4.2 p90 -69.11 -14.22 62.88 Favored 'General case' 0 CA--C 1.545 0.767 0 N-CA-C 115.562 1.689 . . . . 10.0 115.562 -178.102 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 101' ' ' TRP . . . . . 0.412 ' CZ3' ' HA ' ' A' ' 97' ' ' HIS . 29.1 m0 -60.19 138.43 57.92 Favored 'General case' 0 N--CA 1.473 0.717 0 CA-C-N 120.007 1.276 . . . . 10.0 113.834 -175.23 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 102' ' ' LEU . . . . . . . . . . . . . 2.5 pt? -145.57 -172.06 3.81 Favored 'General case' 0 CA--C 1.547 0.856 0 C-N-CA 127.721 2.408 . . . . 10.0 111.078 179.827 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 45.3 mt-10 -65.33 -20.0 66.21 Favored 'General case' 0 N--CA 1.477 0.913 0 N-CA-C 114.745 1.387 . . . . 10.0 114.745 -176.978 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 104' ' ' ARG . . . . . . . . . . . . . 90.0 mmt-85 -136.97 -175.7 4.12 Favored 'General case' 0 N--CA 1.478 0.946 0 C-N-CA 127.279 2.232 . . . . 10.0 111.559 -177.241 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 105' ' ' GLY . . . . . . . . . . . . . . . -78.34 -157.27 9.98 Favored Glycine 0 CA--C 1.538 1.486 0 C-N-CA 124.92 1.247 . . . . 10.0 113.067 172.428 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 106' ' ' ALA . . . . . . . . . . . . . . . -63.87 140.43 58.87 Favored 'General case' 0 CA--C 1.547 0.858 0 C-N-CA 123.825 0.85 . . . . 10.0 112.542 178.042 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 107' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.255 1.353 0 C-N-CA 126.514 1.925 . . . . 10.0 112.041 -179.99 . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' 1' ' ' ARG . . . . . . . . . . . . . 99.7 mtt180 . . . . . 0 N--CA 1.49 1.563 0 N-CA-C 110.571 -0.159 . . . . 10.0 110.571 . . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' 2' ' ' VAL . . . . . . . . . . . . . 62.0 t -52.88 -48.73 50.47 Favored 'Isoleucine or valine' 0 N--CA 1.484 1.246 0 C-N-CA 125.825 1.65 . . . . 10.0 112.803 -173.653 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -51.81 -36.98 49.8 Favored 'General case' 0 CA--C 1.544 0.745 0 C-N-CA 125.261 1.424 . . . . 10.0 114.309 -178.218 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 44.4 mt-10 -61.41 -28.4 69.23 Favored 'General case' 0 N--CA 1.474 0.767 0 C-N-CA 125.439 1.496 . . . . 10.0 113.633 -179.915 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 5' ' ' ASN . . . . . . . . . . . . . 12.5 t-20 -137.14 59.64 1.68 Allowed 'General case' 0 CA--C 1.546 0.799 0 C-N-CA 126.597 1.959 . . . . 10.0 109.905 176.861 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 28.9 ptt-85 -72.58 148.26 90.14 Favored Pre-proline 0 N--CA 1.473 0.699 0 C-N-CA 126.559 1.944 . . . . 10.0 112.52 179.143 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 7' ' ' PRO . . . . . . . . . . . . . 50.2 Cg_exo -51.44 117.52 3.54 Favored 'Trans proline' 0 CA--C 1.54 0.819 0 C-N-CA 123.551 2.834 . . . . 10.0 112.285 173.885 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . 109.8 -13.83 32.11 Favored Glycine 0 CA--C 1.537 1.427 0 C-N-CA 126.305 1.907 . . . . 10.0 114.357 -172.659 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -60.13 132.04 52.71 Favored 'General case' 0 CA--C 1.546 0.796 0 CA-C-N 119.681 1.741 . . . . 10.0 112.899 -174.428 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 10' ' ' PHE . . . . . . . . . . . . . 21.6 m-85 -61.31 148.77 40.15 Favored 'General case' 0 CA--C 1.54 0.581 0 C-N-CA 123.441 0.696 . . . . 10.0 112.308 172.052 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 66.6 mt -119.78 96.52 4.38 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.421 0 C-N-CA 125.876 1.671 . . . . 10.0 106.537 169.636 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 84.3 mttt -91.28 90.34 7.7 Favored 'General case' 0 N--CA 1.474 0.766 0 C-N-CA 125.244 1.418 . . . . 10.0 110.34 -176.881 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 26.4 mt-30 -80.33 -23.26 40.72 Favored 'General case' 0 CA--C 1.542 0.635 0 C-N-CA 123.953 0.901 . . . . 10.0 112.139 173.989 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . 75.5 58.49 3.85 Favored Glycine 0 CA--C 1.531 1.087 0 C-N-CA 124.826 1.203 . . . . 10.0 112.133 178.147 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 32.6 ttp180 -132.42 131.7 42.04 Favored 'General case' 0 N--CA 1.47 0.555 0 C-N-CA 126.735 2.014 . . . . 10.0 110.797 -171.184 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 34.6 ttmt -77.48 101.59 6.51 Favored 'General case' 0 N--CA 1.473 0.721 0 C-N-CA 124.478 1.111 . . . . 10.0 110.542 177.732 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 73.5 mt -72.29 177.45 4.51 Favored 'General case' 0 CA--C 1.547 0.831 0 C-N-CA 126.006 1.722 . . . . 10.0 112.44 175.242 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 19.7 t0 -123.7 93.72 4.02 Favored 'General case' 0 CA--C 1.543 0.682 0 C-N-CA 125.686 1.594 . . . . 10.0 110.773 176.483 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . 67.4 mt -136.14 135.39 50.08 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.737 0 C-N-CA 127.623 2.369 . . . . 10.0 108.608 -178.678 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 26.1 t70 -87.16 103.89 15.84 Favored 'General case' 0 CA--C 1.538 0.49 0 CA-C-O 121.867 0.841 . . . . 10.0 109.739 169.548 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 21' ' ' PHE . . . . . . . . . . . . . 71.8 m-85 -83.79 -37.11 23.0 Favored 'General case' 0 CA--C 1.54 0.595 0 C-N-CA 127.243 2.217 . . . . 10.0 111.495 171.137 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 127.54 158.02 9.62 Favored Glycine 0 CA--C 1.534 1.237 0 C-N-CA 127.777 2.608 . . . . 10.0 110.209 -169.645 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -42.24 -56.69 2.82 Favored 'General case' 0 CA--C 1.548 0.877 0 N-CA-C 115.49 1.663 . . . . 10.0 115.49 -169.713 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 31.2 mm-40 -63.22 -48.25 79.09 Favored 'General case' 0 N--CA 1.474 0.725 0 C-N-CA 124.208 1.003 . . . . 10.0 112.038 178.466 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -63.51 -39.41 97.63 Favored Glycine 0 CA--C 1.533 1.182 0 C-N-CA 124.972 1.272 . . . . 10.0 114.161 179.772 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 89.9 m-20 -57.68 -51.99 67.28 Favored 'General case' 0 CA--C 1.536 0.408 0 C-N-CA 126.161 1.784 . . . . 10.0 110.145 174.702 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 97.5 mtt180 -59.13 -46.28 88.75 Favored 'General case' 0 N--CA 1.474 0.772 0 C-N-CA 124.588 1.155 . . . . 10.0 111.913 174.896 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 28' ' ' TYR . . . . . . . . . . . . . 83.5 t80 -59.54 -53.4 58.48 Favored 'General case' 0 CA--C 1.536 0.406 0 C-N-CA 124.269 1.027 . . . . 10.0 111.949 179.232 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 29' ' ' TYR . . . . . . . . . . . . . 83.5 t80 -56.65 -52.39 65.06 Favored 'General case' 0 CA--C 1.536 0.416 0 C-N-CA 124.6 1.16 . . . . 10.0 112.404 175.645 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -51.06 -35.87 36.92 Favored 'General case' 0 CA--C 1.546 0.796 0 N-CA-C 113.603 0.964 . . . . 10.0 113.603 178.751 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -85.73 -28.42 24.63 Favored 'General case' 0 CA--C 1.55 0.981 0 N-CA-C 115.099 1.518 . . . . 10.0 115.099 176.098 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 32' ' ' ASN . . . . . . . . . . . . . 55.3 m-80 -124.25 11.76 8.79 Favored 'General case' 0 CA--C 1.548 0.881 0 N-CA-C 116.654 2.094 . . . . 10.0 116.654 -169.091 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 33' ' ' TYR . . . . . . . . . . . . . 52.1 p90 -50.15 -28.02 6.72 Favored 'General case' 0 N--CA 1.478 0.971 0 C-N-CA 126.007 1.723 . . . . 10.0 115.207 -177.751 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 34' ' ' TRP . . . . . . . . . . . . . 65.6 p-90 -51.32 -34.67 34.55 Favored 'General case' 0 CA--C 1.546 0.805 0 C-N-CA 125.83 1.652 . . . . 10.0 114.187 173.634 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 32.1 mt-30 -67.4 -41.71 84.48 Favored 'General case' 0 N--CA 1.474 0.734 0 C-N-CA 124.716 1.206 . . . . 10.0 113.197 176.45 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 36' ' ' PHE . . . . . . . . . . . . . 68.6 m-85 -74.24 159.06 84.66 Favored Pre-proline 0 CA--C 1.546 0.799 0 C-N-CA 127.542 2.337 . . . . 10.0 113.629 -169.69 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 62.2 Cg_endo -71.89 163.89 37.41 Favored 'Trans proline' 0 CA--C 1.541 0.859 0 C-N-CA 123.062 2.508 . . . . 10.0 110.841 169.246 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 7.3 t70 -113.47 -37.69 4.57 Favored 'General case' 0 N--CA 1.473 0.698 0 C-N-CA 125.094 1.358 . . . . 10.0 110.396 169.911 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . -129.14 173.11 19.56 Favored Glycine 0 CA--C 1.535 1.286 0 C-N-CA 126.228 1.871 . . . . 10.0 111.384 169.445 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 40' ' ' ILE . . . . . . . . . . . . . 97.0 mt -136.56 125.63 37.24 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.692 0 C-N-CA 125.193 1.397 . . . . 10.0 108.463 175.382 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 41' ' ' TYR . . . . . . . . . . . . . 90.3 t80 -73.51 116.91 14.63 Favored 'General case' 0 CA--C 1.536 0.41 0 C-N-CA 123.388 0.675 . . . . 10.0 109.486 169.782 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 42' ' ' TYR . . . . . . . . . . . . . 48.8 t80 -154.54 109.21 3.03 Favored 'General case' 0 CA--C 1.533 0.305 0 CA-C-O 122.169 0.985 . . . . 10.0 110.732 173.27 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 4.8 pt-20 -81.12 59.98 4.09 Favored 'General case' 0 CA--C 1.548 0.884 0 C-N-CA 126.981 2.112 . . . . 10.0 111.874 178.271 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . -71.35 -42.98 55.71 Favored Glycine 0 CA--C 1.534 1.269 0 C-N-CA 125.298 1.428 . . . . 10.0 113.931 -179.787 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 45' ' ' CYS . . . . . . . . . . . . . 78.0 m -62.47 128.21 34.94 Favored 'General case' 0 CA--C 1.544 0.728 0 C-N-CA 125.442 1.497 . . . . 10.0 112.94 -179.287 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 63.9 p -139.31 -58.4 0.59 Allowed 'General case' 0 N--CA 1.473 0.695 0 C-N-CA 125.88 1.672 . . . . 10.0 112.01 173.689 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 12.0 pt-20 -146.56 160.72 41.78 Favored 'General case' 0 CA--C 1.542 0.666 0 C-N-CA 126.33 1.852 . . . . 10.0 112.604 178.976 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -54.58 -23.5 17.13 Favored 'General case' 0 CA--C 1.545 0.786 0 N-CA-C 115.932 1.827 . . . . 10.0 115.932 -174.694 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 72.5 m-20 -61.42 -29.04 69.69 Favored 'General case' 0 CA--C 1.548 0.869 0 C-N-CA 124.164 0.985 . . . . 10.0 113.42 172.204 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . 94.3 t -67.03 113.1 2.77 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.911 0 C-N-CA 124.667 1.187 . . . . 10.0 109.61 169.976 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 41.4 p -84.92 169.66 13.85 Favored 'General case' 0 N--CA 1.475 0.793 0 C-N-CA 123.504 0.721 . . . . 10.0 111.618 176.801 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 78.1 tttt -62.04 -43.52 98.66 Favored 'General case' 0 N--CA 1.472 0.642 0 O-C-N 121.221 -0.924 . . . . 10.0 111.981 170.046 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 27.6 mm-40 -54.25 -48.43 71.16 Favored 'General case' 0 N--CA 1.472 0.669 0 C-N-CA 123.903 0.881 . . . . 10.0 111.838 174.426 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 54' ' ' MET . . . . . . . . . . . . . 93.4 mtp -54.69 -57.14 12.65 Favored 'General case' 0 N--CA 1.47 0.534 0 C-N-CA 124.361 1.065 . . . . 10.0 111.799 171.251 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 3.4 tt -55.73 -59.82 4.32 Favored 'General case' 0 CA--C 1.54 0.56 0 C-N-CA 124.995 1.318 . . . . 10.0 112.129 -177.549 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 60.2 t -57.43 -46.5 85.69 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.811 0 C-N-CA 124.69 1.196 . . . . 10.0 111.666 -176.263 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 57' ' ' THR . . . . . . . . . . . . . 37.1 m -63.5 -51.57 64.96 Favored 'General case' 0 N--CA 1.477 0.881 0 C-N-CA 123.816 0.847 . . . . 10.0 111.901 177.109 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 93.2 p -62.01 -33.25 74.0 Favored 'General case' 0 N--CA 1.471 0.615 0 O-C-N 121.388 -0.82 . . . . 10.0 113.028 177.659 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 59' ' ' CYS . . . . . . . . . . . . . 44.4 t -58.22 -51.05 71.37 Favored 'General case' 0 CA--C 1.539 0.522 0 C-N-CA 125.982 1.713 . . . . 10.0 112.557 169.971 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 60' ' ' VAL . . . . . . . . . . . . . 48.2 t -56.3 -43.69 77.61 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.055 0 C-N-CA 124.086 0.954 . . . . 10.0 111.893 173.446 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 61' ' ' ASN . . . . . . . . . . . . . 21.8 m-80 -64.24 -45.26 88.93 Favored 'General case' 0 CA--C 1.544 0.728 0 C-N-CA 124.245 1.018 . . . . 10.0 113.046 174.827 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -60.58 -45.99 91.91 Favored 'General case' 0 CA--C 1.536 0.408 0 C-N-CA 124.53 1.132 . . . . 10.0 111.267 175.8 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 63' ' ' THR . . . . . . . . . . . . . 30.1 m -55.29 -48.74 73.64 Favored 'General case' 0 N--CA 1.471 0.59 0 C-N-CA 124.909 1.283 . . . . 10.0 111.469 177.334 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 64' ' ' GLN . . . . . . . . . . . . . 45.6 mt-30 -50.65 -61.7 2.04 Favored 'General case' 0 N--CA 1.47 0.559 0 C-N-CA 124.283 1.033 . . . . 10.0 111.7 171.453 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -53.87 -44.65 70.6 Favored 'General case' 0 CA--C 1.545 0.781 0 C-N-CA 125.704 1.602 . . . . 10.0 113.741 -178.667 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -67.63 -34.5 77.08 Favored 'General case' 0 CA--C 1.541 0.608 0 C-N-CA 125.082 1.353 . . . . 10.0 114.383 179.615 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 67' ' ' ASN . . . . . . . . . . . . . 10.5 m-80 -124.91 39.61 3.94 Favored 'General case' 0 CA--C 1.545 0.784 0 C-N-CA 124.026 0.93 . . . . 10.0 112.562 -170.042 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 68' ' ' GLN . . . . . . . . . . . . . 22.0 mm-40 -54.66 -47.46 73.55 Favored 'General case' 0 N--CA 1.475 0.791 0 C-N-CA 124.627 1.171 . . . . 10.0 112.972 -176.416 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -53.83 -48.71 69.66 Favored 'General case' 0 CA--C 1.544 0.732 0 C-N-CA 125.025 1.33 . . . . 10.0 113.015 179.104 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 7.9 mm-40 -54.01 -56.14 20.7 Favored 'General case' 0 N--CA 1.473 0.706 0 C-N-CA 125.215 1.406 . . . . 10.0 111.408 177.766 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 71' ' ' PHE . . . . . . . . . . . . . 37.4 m-85 -59.91 -53.31 59.43 Favored 'General case' 0 CA--C 1.536 0.405 0 C-N-CA 124.019 0.928 . . . . 10.0 112.19 176.954 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 46.5 t -50.05 -56.74 9.6 Favored 'General case' 0 N--CA 1.47 0.551 0 C-N-CA 126.366 1.866 . . . . 10.0 112.837 -178.415 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 73' ' ' ARG . . . . . . . . . . . . . 90.2 mmt-85 -60.3 -50.01 75.32 Favored 'General case' 0 N--CA 1.475 0.801 0 C-N-CA 124.905 1.282 . . . . 10.0 112.621 -179.767 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 44.1 mm-40 -62.61 -58.57 7.06 Favored 'General case' 0 CA--C 1.539 0.549 0 C-N-CA 124.269 1.028 . . . . 10.0 112.856 -179.491 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 87.4 tttt -44.78 -34.18 2.19 Favored 'General case' 0 N--CA 1.481 1.116 0 C-N-CA 127.896 2.478 . . . . 10.0 115.674 -171.387 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 76' ' ' GLN . . . . . . . . . . . . . 66.6 mm-40 -52.87 -43.4 66.07 Favored 'General case' 0 N--CA 1.472 0.66 0 C-N-CA 124.751 1.22 . . . . 10.0 112.967 178.043 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 32.5 t70 -127.6 -38.37 1.91 Allowed 'General case' 0 N--CA 1.473 0.722 0 C-N-CA 125.902 1.681 . . . . 10.0 113.168 -172.164 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -75.73 61.09 1.35 Allowed 'General case' 0 CA--C 1.543 0.676 0 C-N-CA 127.929 2.492 . . . . 10.0 111.809 -178.314 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 2.1 tppt? -60.42 -52.56 64.69 Favored 'General case' 0 N--CA 1.472 0.674 0 C-N-CA 126.259 1.824 . . . . 10.0 113.384 -169.682 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 56.0 tp -60.51 -44.96 95.45 Favored 'General case' 0 N--CA 1.47 0.537 0 C-N-CA 124.866 1.266 . . . . 10.0 111.941 175.082 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 81' ' ' HIS . . . . . . . . . . . . . 16.6 t-160 -48.52 -49.22 36.99 Favored 'General case' 0 N--CA 1.472 0.637 0 C-N-CA 124.409 1.083 . . . . 10.0 111.993 -177.235 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 82' ' ' GLN . . . . . . . . . . . . . 98.3 mm-40 -50.62 -52.71 36.96 Favored 'General case' 0 N--CA 1.471 0.599 0 C-N-CA 123.856 0.862 . . . . 10.0 112.852 177.106 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 83' ' ' ARG . . . . . . . . . . . . . 9.2 mpt_? -55.48 -52.76 62.56 Favored 'General case' 0 N--CA 1.48 1.043 0 C-N-CA 124.383 1.073 . . . . 10.0 111.314 -178.96 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 84' ' ' VAL . . . . . . . . . . . . . 21.8 t -57.94 -54.28 34.11 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.729 0 C-N-CA 125.828 1.651 . . . . 10.0 110.94 176.99 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 85' ' ' LEU . . . . . . . . . . . . . 45.0 tp -56.68 -47.82 78.98 Favored 'General case' 0 CA--C 1.538 0.491 0 C-N-CA 126.254 1.822 . . . . 10.0 112.664 -179.736 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 86' ' ' TRP . . . . . . . . . . . . . 70.4 m95 -64.05 -42.48 97.02 Favored 'General case' 0 N--CA 1.469 0.475 0 N-CA-C 113.989 1.107 . . . . 10.0 113.989 176.316 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 87' ' ' ARG . . . . . . . . . . . . . 24.0 tpt180 -54.9 -50.37 68.93 Favored 'General case' 0 N--CA 1.477 0.921 0 C-N-CA 123.666 0.786 . . . . 10.0 111.144 170.705 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 88' ' ' LEU . . . . . . . . . . . . . 54.9 tp -56.23 -55.26 35.44 Favored 'General case' 0 CA--C 1.54 0.59 0 C-N-CA 124.318 1.047 . . . . 10.0 112.761 173.172 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 89' ' ' ILE . . . . . . . . . . . . . 68.9 mt -50.98 -48.91 28.82 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.808 0 C-N-CA 124.518 1.127 . . . . 10.0 111.015 177.422 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 58.3 tttp -60.2 -46.87 88.24 Favored 'General case' 0 N--CA 1.469 0.51 0 CA-C-O 118.191 -0.909 . . . . 10.0 112.782 176.295 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 31.6 mm-40 -56.59 -45.08 81.6 Favored 'General case' 0 CA--C 1.544 0.716 0 CA-C-N 119.795 1.179 . . . . 10.0 112.635 172.773 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 92' ' ' ILE . . . . . . . . . . . . . 96.1 mt -58.01 -55.56 21.17 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.776 0 C-N-CA 124.209 1.003 . . . . 10.0 110.93 172.736 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 93' ' ' CYS . . . . . . . . . . . . . 66.2 m -55.21 -44.78 75.7 Favored 'General case' 0 CA--C 1.544 0.712 0 C-N-CA 123.793 0.837 . . . . 10.0 111.957 177.914 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 49.7 m -58.73 -24.99 62.5 Favored 'General case' 0 N--CA 1.476 0.874 0 C-N-CA 125.541 1.536 . . . . 10.0 114.7 175.391 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . -73.06 -21.79 60.72 Favored 'General case' 0 CA--C 1.548 0.873 0 N-CA-C 114.206 1.187 . . . . 10.0 114.206 178.083 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 96' ' ' LYS . . . . . . . . . . . . . 3.6 mptp? -60.24 131.89 52.22 Favored 'General case' 0 N--CA 1.479 0.99 0 C-N-CA 125.087 1.355 . . . . 10.0 111.377 -179.198 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 97' ' ' HIS . . . . . 0.438 ' HA ' ' CZ3' ' A' ' 101' ' ' TRP . 13.2 t-80 -141.7 116.35 9.7 Favored 'General case' 0 N--CA 1.471 0.62 0 C-N-CA 125.67 1.588 . . . . 10.0 110.773 176.019 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 98' ' ' CYS . . . . . . . . . . . . . 57.4 m -70.16 149.69 47.29 Favored 'General case' 0 CA--C 1.538 0.498 0 C-N-CA 123.283 0.633 . . . . 10.0 111.86 176.761 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 99' ' ' ASP . . . . . . . . . . . . . 32.7 t70 -64.8 -42.8 94.73 Favored 'General case' 0 CA--C 1.542 0.656 0 C-N-CA 124.349 1.059 . . . . 10.0 112.427 176.988 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 100' ' ' PHE . . . . . . . . . . . . . 9.0 p90 -70.81 -16.83 62.76 Favored 'General case' 0 CA--C 1.544 0.712 0 N-CA-C 115.402 1.631 . . . . 10.0 115.402 -176.349 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 101' ' ' TRP . . . . . 0.438 ' CZ3' ' HA ' ' A' ' 97' ' ' HIS . 36.7 m0 -59.13 137.7 57.85 Favored 'General case' 0 N--CA 1.474 0.741 0 CA-C-N 119.918 1.235 . . . . 10.0 112.554 179.301 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 102' ' ' LEU . . . . . . . . . . . . . 2.7 pt? -146.17 170.7 16.18 Favored 'General case' 0 CA--C 1.542 0.636 0 C-N-CA 126.707 2.003 . . . . 10.0 112.195 -171.609 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 46.3 mt-10 -134.13 148.62 51.0 Favored 'General case' 0 N--CA 1.472 0.651 0 C-N-CA 125.81 1.644 . . . . 10.0 111.029 175.365 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 104' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -145.32 174.75 10.83 Favored 'General case' 0 N--CA 1.477 0.912 0 C-N-CA 126.032 1.733 . . . . 10.0 112.637 -177.115 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 105' ' ' GLY . . . . . . . . . . . . . . . -138.27 -159.24 8.04 Favored Glycine 0 CA--C 1.533 1.187 0 C-N-CA 126.013 1.768 . . . . 10.0 112.627 177.947 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 106' ' ' ALA . . . . . . . . . . . . . . . -147.36 158.37 43.95 Favored 'General case' 0 CA--C 1.546 0.811 0 C-N-CA 125.389 1.476 . . . . 10.0 112.005 178.705 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 107' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.253 1.262 0 C-N-CA 126.551 1.941 . . . . 10.0 111.982 179.33 . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A ' 1' ' ' ARG . . . . . . . . . . . . . 77.6 ttt180 . . . . . 0 N--CA 1.488 1.458 0 N-CA-C 110.009 -0.367 . . . . 10.0 110.009 . . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A ' 2' ' ' VAL . . . . . . . . . . . . . 58.0 t -70.1 121.41 19.67 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.046 0 C-N-CA 124.822 1.249 . . . . 10.0 110.654 -178.694 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -72.83 159.19 34.16 Favored 'General case' 0 CA--C 1.545 0.785 0 C-N-CA 124.748 1.219 . . . . 10.0 112.789 175.783 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 38.9 mm-40 -67.81 124.8 24.31 Favored 'General case' 0 CA--C 1.54 0.566 0 O-C-N 121.439 -0.788 . . . . 10.0 110.44 170.815 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 5' ' ' ASN . . . . . . . . . . . . . 32.3 m120 -77.45 62.04 2.36 Favored 'General case' 0 CA--C 1.546 0.823 0 C-N-CA 124.247 1.019 . . . . 10.0 111.523 178.312 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 7.9 ptm180 -83.17 156.82 66.42 Favored Pre-proline 0 N--CA 1.475 0.804 0 C-N-CA 125.122 1.369 . . . . 10.0 111.928 170.824 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 7' ' ' PRO . . . . . . . . . . . . . 71.2 Cg_exo -48.58 120.88 5.66 Favored 'Trans proline' 0 CA--C 1.54 0.816 0 C-N-CA 123.548 2.832 . . . . 10.0 112.406 171.32 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . 110.74 -15.08 29.29 Favored Glycine 0 CA--C 1.538 1.486 0 C-N-CA 126.579 2.038 . . . . 10.0 114.335 -172.798 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -61.86 131.89 51.27 Favored 'General case' 0 CA--C 1.545 0.751 0 CA-C-N 119.565 1.683 . . . . 10.0 112.38 -175.482 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 10' ' ' PHE . . . . . . . . . . . . . 23.7 m-85 -62.45 149.99 41.17 Favored 'General case' 0 CA--C 1.54 0.582 0 O-C-N 121.636 -0.665 . . . . 10.0 112.597 174.28 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 75.7 mt -118.75 96.86 4.71 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.465 0 N-CA-C 106.28 -1.748 . . . . 10.0 106.28 169.423 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 85.4 mttt -93.39 91.69 7.29 Favored 'General case' 0 N--CA 1.472 0.635 0 C-N-CA 125.024 1.329 . . . . 10.0 110.208 -176.357 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 22.0 mt-30 -77.4 -21.22 53.48 Favored 'General case' 0 CA--C 1.54 0.572 0 C-N-CA 124.253 1.021 . . . . 10.0 111.883 172.099 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . 65.4 54.55 25.9 Favored Glycine 0 CA--C 1.531 1.058 0 C-N-CA 124.719 1.152 . . . . 10.0 111.083 -176.595 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 4.7 tmm_? -133.01 129.73 38.51 Favored 'General case' 0 N--CA 1.47 0.539 0 C-N-CA 126.86 2.064 . . . . 10.0 110.18 -169.525 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 46.2 tttm -74.76 111.17 9.69 Favored 'General case' 0 N--CA 1.472 0.661 0 C-N-CA 124.081 0.953 . . . . 10.0 111.486 -178.461 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 85.4 mt -74.06 177.54 5.63 Favored 'General case' 0 CA--C 1.547 0.857 0 C-N-CA 126.272 1.829 . . . . 10.0 112.245 170.844 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 20.3 t0 -124.61 92.39 3.64 Favored 'General case' 0 CA--C 1.542 0.639 0 C-N-CA 125.638 1.575 . . . . 10.0 110.371 173.648 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . 73.1 mt -132.83 128.87 57.58 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.709 0 C-N-CA 127.5 2.32 . . . . 10.0 107.785 -179.034 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 24.0 t0 -86.83 85.27 7.26 Favored 'General case' 0 CA--C 1.539 0.552 0 CA-C-O 121.947 0.879 . . . . 10.0 110.652 172.593 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 21' ' ' PHE . . . . . . . . . . . . . 77.6 m-85 -62.53 -41.54 98.94 Favored 'General case' 0 CA--C 1.54 0.586 0 C-N-CA 126.59 1.956 . . . . 10.0 111.684 171.028 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 131.49 155.22 8.04 Favored Glycine 0 CA--C 1.532 1.116 0 C-N-CA 128.15 2.786 . . . . 10.0 109.666 -169.726 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -41.46 -57.71 2.12 Favored 'General case' 0 CA--C 1.548 0.869 0 N-CA-C 115.333 1.605 . . . . 10.0 115.333 -169.665 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 37.0 tt0 -63.52 -43.98 95.59 Favored 'General case' 0 CA--C 1.544 0.714 0 C-N-CA 124.405 1.082 . . . . 10.0 112.682 179.057 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -65.66 -41.64 95.84 Favored Glycine 0 CA--C 1.534 1.265 0 C-N-CA 124.916 1.246 . . . . 10.0 113.991 177.8 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 82.0 m-20 -55.99 -49.25 74.14 Favored 'General case' 0 CA--C 1.537 0.457 0 C-N-CA 126.245 1.818 . . . . 10.0 110.445 173.658 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 98.6 mtt180 -60.66 -46.66 89.47 Favored 'General case' 0 N--CA 1.475 0.792 0 C-N-CA 125.102 1.361 . . . . 10.0 111.347 176.431 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 28' ' ' TYR . . . . . . . . . . . . . 75.9 t80 -58.43 -53.09 62.28 Favored 'General case' 0 CA--C 1.534 0.362 0 C-N-CA 123.969 0.908 . . . . 10.0 111.985 177.403 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 29' ' ' TYR . . . . . . . . . . . . . 74.9 t80 -56.02 -54.11 48.9 Favored 'General case' 0 CA--C 1.535 0.402 0 C-N-CA 124.534 1.133 . . . . 10.0 112.394 176.45 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -50.27 -37.17 34.61 Favored 'General case' 0 CA--C 1.547 0.827 0 N-CA-C 113.81 1.041 . . . . 10.0 113.81 177.122 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -82.95 -21.24 34.11 Favored 'General case' 0 CA--C 1.552 1.034 0 N-CA-C 115.262 1.579 . . . . 10.0 115.262 176.491 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 32' ' ' ASN . . . . . . . . . . . . . 61.0 m-80 -131.32 7.61 4.59 Favored 'General case' 0 CA--C 1.547 0.865 0 N-CA-C 116.888 2.181 . . . . 10.0 116.888 -169.145 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 33' ' ' TYR . . . . . . . . . . . . . 39.9 p90 -51.86 -25.99 9.09 Favored 'General case' 0 N--CA 1.479 0.984 0 N-CA-C 115.533 1.679 . . . . 10.0 115.533 -174.668 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 34' ' ' TRP . . . . . . . . . . . . . 65.8 p-90 -52.42 -34.57 49.03 Favored 'General case' 0 CA--C 1.546 0.825 0 C-N-CA 125.669 1.587 . . . . 10.0 114.116 172.094 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 31.1 mt-30 -69.89 -37.82 76.13 Favored 'General case' 0 N--CA 1.475 0.781 0 C-N-CA 124.57 1.148 . . . . 10.0 113.343 176.51 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 36' ' ' PHE . . . . . . . . . . . . . 65.2 m-85 -75.81 157.66 83.58 Favored Pre-proline 0 CA--C 1.546 0.802 0 C-N-CA 126.98 2.112 . . . . 10.0 114.202 -169.579 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 61.6 Cg_endo -73.7 150.01 44.23 Favored 'Trans proline' 0 CA--C 1.54 0.786 0 C-N-CA 123.272 2.648 . . . . 10.0 110.701 169.355 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 26.9 t70 -104.54 -33.9 8.39 Favored 'General case' 0 N--CA 1.472 0.661 0 C-N-CA 124.854 1.262 . . . . 10.0 111.248 172.11 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . -132.51 172.85 21.07 Favored Glycine 0 CA--C 1.536 1.35 0 C-N-CA 126.835 2.159 . . . . 10.0 111.218 169.387 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 40' ' ' ILE . . . . . . . . . . . . . 89.1 mt -136.52 124.04 33.2 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.779 0 C-N-CA 124.701 1.2 . . . . 10.0 108.764 174.496 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 41' ' ' TYR . . . . . . . . . . . . . 60.7 t80 -72.18 98.89 2.23 Favored 'General case' 0 CA--C 1.536 0.428 0 C-N-CA 124.35 1.06 . . . . 10.0 110.112 171.718 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 42' ' ' TYR . . . . . . . . . . . . . 61.2 t80 -157.69 139.7 14.21 Favored 'General case' 0 CA--C 1.535 0.372 0 C-N-CA 123.975 0.91 . . . . 10.0 111.88 177.885 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 46.4 mt-10 -128.42 89.15 2.85 Favored 'General case' 0 CA--C 1.539 0.542 0 C-N-CA 126.947 2.099 . . . . 10.0 108.365 179.784 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . -92.74 38.39 3.18 Favored Glycine 0 N--CA 1.47 0.939 0 N-CA-C 117.202 1.641 . . . . 10.0 117.202 -168.998 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 45' ' ' CYS . . . . . . . . . . . . . 28.0 p -145.75 133.68 21.34 Favored 'General case' 0 CA--C 1.54 0.56 0 CA-C-N 118.161 0.98 . . . . 10.0 112.479 170.524 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 73.8 p -139.15 -4.66 1.49 Allowed 'General case' 0 N--CA 1.475 0.794 0 C-N-CA 126.171 1.788 . . . . 10.0 114.0 179.196 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 77.7 mm-40 -141.57 138.29 32.55 Favored 'General case' 0 N--CA 1.471 0.604 0 C-N-CA 126.526 1.931 . . . . 10.0 110.769 -175.426 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -54.71 -31.48 58.21 Favored 'General case' 0 CA--C 1.548 0.885 0 C-N-CA 124.672 1.189 . . . . 10.0 113.674 176.131 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 73.4 m-80 -68.31 -22.87 64.69 Favored 'General case' 0 CA--C 1.544 0.727 0 C-N-CA 126.014 1.726 . . . . 10.0 114.278 178.6 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . 2.5 p -59.86 149.19 7.02 Favored 'Isoleucine or valine' 0 N--CA 1.479 1.019 0 C-N-CA 124.274 1.03 . . . . 10.0 112.741 -174.364 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 36.5 p -117.62 169.76 9.31 Favored 'General case' 0 N--CA 1.479 0.982 0 C-N-CA 125.475 1.51 . . . . 10.0 112.057 -177.953 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 88.1 tttt -58.77 -49.63 76.93 Favored 'General case' 0 N--CA 1.472 0.659 0 C-N-CA 123.778 0.831 . . . . 10.0 111.522 169.89 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 45.1 mt-10 -51.46 -48.6 62.75 Favored 'General case' 0 N--CA 1.472 0.671 0 C-N-CA 124.058 0.943 . . . . 10.0 111.862 176.254 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 54' ' ' MET . . . . . . . . . . . . . 98.1 mtp -57.16 -56.27 23.95 Favored 'General case' 0 CA--C 1.536 0.416 0 C-N-CA 124.045 0.938 . . . . 10.0 112.223 171.263 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 10.0 tt -53.76 -53.4 52.76 Favored 'General case' 0 N--CA 1.471 0.62 0 C-N-CA 124.873 1.269 . . . . 10.0 112.764 -178.021 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 48.0 t -61.38 -48.12 90.31 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.883 0 C-N-CA 124.956 1.302 . . . . 10.0 111.443 -179.005 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 57' ' ' THR . . . . . . . . . . . . . 59.8 m -60.02 -48.05 83.32 Favored 'General case' 0 N--CA 1.478 0.968 0 C-N-CA 124.012 0.925 . . . . 10.0 111.755 175.67 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 41.3 m -60.88 -38.32 85.26 Favored 'General case' 0 N--CA 1.47 0.546 0 C-N-CA 124.617 1.167 . . . . 10.0 112.211 177.447 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 59' ' ' CYS . . . . . . . . . . . . . 44.8 t -58.38 -49.9 75.6 Favored 'General case' 0 CA--C 1.535 0.368 0 C-N-CA 124.907 1.283 . . . . 10.0 112.932 172.49 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 60' ' ' VAL . . . . . . . . . . . . . 55.3 t -54.55 -50.62 57.36 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.94 0 CA-C-N 118.886 0.766 . . . . 10.0 111.095 172.086 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 61' ' ' ASN . . . . . . . . . . . . . 16.6 m-80 -58.14 -45.1 87.96 Favored 'General case' 0 CA--C 1.545 0.765 0 C-N-CA 124.516 1.126 . . . . 10.0 113.377 176.786 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -62.49 -47.39 84.2 Favored 'General case' 0 CA--C 1.535 0.372 0 C-N-CA 124.249 1.02 . . . . 10.0 111.406 175.866 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 63' ' ' THR . . . . . . . . . . . . . 28.6 m -55.54 -49.9 71.41 Favored 'General case' 0 N--CA 1.472 0.634 0 C-N-CA 124.99 1.316 . . . . 10.0 111.261 175.752 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 64' ' ' GLN . . . . . . . . . . . . . 83.7 mt-30 -49.25 -60.16 3.05 Favored 'General case' 0 CA--C 1.536 0.42 0 C-N-CA 125.248 1.419 . . . . 10.0 111.779 171.737 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -57.78 -41.75 82.68 Favored 'General case' 0 CA--C 1.545 0.762 0 C-N-CA 125.581 1.552 . . . . 10.0 113.798 -178.919 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -66.25 -39.83 89.78 Favored 'General case' 0 CA--C 1.542 0.658 0 C-N-CA 125.026 1.331 . . . . 10.0 114.063 178.679 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 67' ' ' ASN . . . . . . . . . . . . . 11.5 m-80 -119.1 38.9 3.69 Favored 'General case' 0 CA--C 1.548 0.881 0 C-N-CA 124.249 1.019 . . . . 10.0 112.833 -169.804 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 68' ' ' GLN . . . . . . . . . . . . . 32.0 mm-40 -48.62 -55.16 12.0 Favored 'General case' 0 N--CA 1.476 0.835 0 C-N-CA 126.61 1.964 . . . . 10.0 113.702 -176.382 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -57.39 -44.43 84.49 Favored 'General case' 0 CA--C 1.542 0.661 0 C-N-CA 124.779 1.232 . . . . 10.0 113.353 -175.761 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 48.0 mt-10 -59.78 -50.73 72.68 Favored 'General case' 0 N--CA 1.472 0.633 0 C-N-CA 124.579 1.151 . . . . 10.0 111.967 177.474 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 71' ' ' PHE . . . . . . . . . . . . . 40.5 m-85 -61.27 -60.0 4.43 Favored 'General case' 0 CA--C 1.535 0.403 0 C-N-CA 123.134 0.574 . . . . 10.0 112.039 174.829 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 27.3 t -49.2 -51.86 30.32 Favored 'General case' 0 N--CA 1.471 0.594 0 C-N-CA 126.263 1.825 . . . . 10.0 113.608 -171.044 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 73' ' ' ARG . . . . . . . . . . . . . 88.6 mtm180 -58.41 -56.03 27.39 Favored 'General case' 0 N--CA 1.475 0.819 0 C-N-CA 125.275 1.43 . . . . 10.0 112.639 178.943 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 18.0 mt-10 -67.09 -46.43 74.25 Favored 'General case' 0 N--CA 1.47 0.556 0 N-CA-C 113.969 1.099 . . . . 10.0 113.969 -178.303 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 88.0 tttt -48.19 -29.25 3.55 Favored 'General case' 0 N--CA 1.48 1.04 0 C-N-CA 127.325 2.25 . . . . 10.0 115.116 -173.773 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 76' ' ' GLN . . . . . . . . . . . . . 72.9 mm-40 -54.46 -32.83 58.5 Favored 'General case' 0 CA--C 1.545 0.785 0 C-N-CA 125.218 1.407 . . . . 10.0 113.831 174.535 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 32.1 t70 -138.1 -37.21 0.58 Allowed 'General case' 0 CA--C 1.546 0.8 0 C-N-CA 125.463 1.505 . . . . 10.0 114.352 -171.563 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -76.9 54.41 1.01 Allowed 'General case' 0 CA--C 1.547 0.865 0 C-N-CA 127.31 2.244 . . . . 10.0 113.71 -169.892 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 24.6 ttmm -54.33 -51.64 64.07 Favored 'General case' 0 N--CA 1.478 0.948 0 C-N-CA 126.61 1.964 . . . . 10.0 113.321 -174.067 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 43.0 tp -56.63 -48.56 77.25 Favored 'General case' 0 CA--C 1.538 0.502 0 C-N-CA 124.518 1.127 . . . . 10.0 111.641 175.904 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 81' ' ' HIS . . . . . . . . . . . . . 14.1 t-160 -56.35 -53.81 52.91 Favored 'General case' 0 N--CA 1.469 0.524 0 CA-C-O 118.44 -0.79 . . . . 10.0 111.411 175.053 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 82' ' ' GLN . . . . . . . . . . . . . 93.1 mm-40 -48.87 -56.42 8.81 Favored 'General case' 0 N--CA 1.47 0.572 0 C-N-CA 124.573 1.149 . . . . 10.0 112.078 177.241 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 83' ' ' ARG . . . . . . . . . . . . . 80.2 ttt180 -49.56 -57.52 6.95 Favored 'General case' 0 N--CA 1.478 0.949 0 C-N-CA 124.731 1.212 . . . . 10.0 112.512 178.911 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 84' ' ' VAL . . . . . . . . . . . . . 58.5 t -60.46 -50.58 79.8 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.823 0 C-N-CA 125.608 1.563 . . . . 10.0 111.078 179.614 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 85' ' ' LEU . . . . . . . . . . . . . 52.0 tp -56.6 -50.23 72.6 Favored 'General case' 0 N--CA 1.469 0.505 0 C-N-CA 125.884 1.674 . . . . 10.0 112.71 178.895 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 86' ' ' TRP . . . . . . . . . . . . . 64.3 m95 -60.81 -41.98 96.73 Favored 'General case' 0 N--CA 1.468 0.425 0 N-CA-C 113.488 0.922 . . . . 10.0 113.488 176.311 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 87' ' ' ARG . . . . . . . . . . . . . 14.1 tpt180 -56.43 -50.37 71.87 Favored 'General case' 0 N--CA 1.474 0.743 0 CA-C-N 118.698 0.681 . . . . 10.0 111.417 170.039 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 88' ' ' LEU . . . . . . . . . . . . . 2.2 tt -55.3 -53.99 49.18 Favored 'General case' 0 CA--C 1.545 0.761 0 C-N-CA 124.66 1.184 . . . . 10.0 111.764 176.735 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 89' ' ' ILE . . . . . . . . . . . . . 83.9 mt -50.62 -51.35 19.72 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.709 0 C-N-CA 124.896 1.279 . . . . 10.0 110.857 173.849 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 65.9 tttp -58.24 -45.53 87.57 Favored 'General case' 0 N--CA 1.471 0.606 0 CA-C-O 117.95 -1.024 . . . . 10.0 113.296 176.803 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 64.9 mm-40 -53.51 -51.05 64.08 Favored 'General case' 0 N--CA 1.473 0.714 0 CA-C-N 120.027 1.285 . . . . 10.0 111.752 172.417 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 92' ' ' ILE . . . . . . . . . . . . . 97.7 mt -57.43 -53.86 38.49 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.968 0 C-N-CA 124.093 0.957 . . . . 10.0 111.407 174.817 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 93' ' ' CYS . . . . . . . . . . . . . 67.9 m -56.73 -43.45 80.65 Favored 'General case' 0 CA--C 1.542 0.638 0 C-N-CA 124.577 1.151 . . . . 10.0 112.614 179.653 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 50.4 m -61.74 -43.0 99.7 Favored 'General case' 0 N--CA 1.474 0.765 0 C-N-CA 125.448 1.499 . . . . 10.0 112.891 173.241 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . -62.98 -50.77 69.45 Favored 'General case' 0 CA--C 1.542 0.672 0 C-N-CA 125.249 1.42 . . . . 10.0 113.32 -178.768 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 96' ' ' LYS . . . . . . . . . . . . . 1.1 ptpm? -60.78 142.3 56.14 Favored 'General case' 0 N--CA 1.481 1.078 0 CA-C-N 118.891 0.768 . . . . 10.0 111.901 176.001 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 97' ' ' HIS . . . . . . . . . . . . . 2.0 m-70 -137.13 152.3 49.82 Favored 'General case' 0 N--CA 1.476 0.833 0 C-N-CA 127.176 2.191 . . . . 10.0 110.377 -175.59 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 98' ' ' CYS . . . . . . . . . . . . . 23.5 t -69.38 144.72 53.33 Favored 'General case' 0 CA--C 1.543 0.683 0 N-CA-C 112.383 0.512 . . . . 10.0 112.383 176.503 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 99' ' ' ASP . . . . . . . . . . . . . 31.7 t70 -65.22 -45.73 83.52 Favored 'General case' 0 CA--C 1.545 0.757 0 C-N-CA 124.944 1.298 . . . . 10.0 113.221 174.413 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 100' ' ' PHE . . . . . . . . . . . . . 9.8 p90 -95.52 7.93 44.79 Favored 'General case' 0 CA--C 1.545 0.775 0 N-CA-C 115.752 1.76 . . . . 10.0 115.752 -169.836 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 101' ' ' TRP . . . . . . . . . . . . . 7.8 m0 -55.58 143.42 29.97 Favored 'General case' 0 N--CA 1.476 0.852 0 CA-C-N 119.795 1.18 . . . . 10.0 113.129 176.81 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 102' ' ' LEU . . . . . . . . . . . . . 2.6 pt? -147.04 172.26 14.01 Favored 'General case' 0 CA--C 1.542 0.671 0 C-N-CA 127.116 2.166 . . . . 10.0 112.046 -170.025 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 55.4 mm-40 -61.0 130.36 46.02 Favored 'General case' 0 CA--C 1.542 0.664 0 C-N-CA 124.104 0.962 . . . . 10.0 111.7 175.482 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 104' ' ' ARG . . . . . . . . . . . . . 23.8 mmm180 -59.32 -38.6 80.69 Favored 'General case' 0 N--CA 1.478 0.97 0 C-N-CA 125.535 1.534 . . . . 10.0 114.093 -170.644 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 105' ' ' GLY . . . . . . . . . . . . . . . -148.13 70.31 0.33 Allowed Glycine 0 CA--C 1.53 1.0 0 C-N-CA 125.313 1.435 . . . . 10.0 112.242 178.635 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 106' ' ' ALA . . . . . . . . . . . . . . . -63.79 140.09 58.84 Favored 'General case' 0 CA--C 1.548 0.867 0 C-N-CA 124.629 1.172 . . . . 10.0 112.35 176.056 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 107' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.253 1.264 0 C-N-CA 126.4 1.88 . . . . 10.0 111.986 179.274 . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' 1' ' ' ARG . . . . . . . . . . . . . 58.0 ttt-85 . . . . . 0 N--CA 1.488 1.444 0 CA-C-O 120.701 0.286 . . . . 10.0 110.394 . . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' 2' ' ' VAL . . . . . . . . . . . . . 91.7 t -62.29 136.89 25.0 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.972 0 C-N-CA 124.205 1.002 . . . . 10.0 109.413 169.508 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -68.74 134.47 49.84 Favored 'General case' 0 CA--C 1.544 0.737 0 C-N-CA 123.675 0.79 . . . . 10.0 111.783 176.01 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 81.0 mm-40 -68.04 130.91 44.37 Favored 'General case' 0 N--CA 1.47 0.552 0 O-C-N 121.426 -0.796 . . . . 10.0 109.047 169.647 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 5' ' ' ASN . . . . . . . . . . . . . 30.7 m120 -70.51 80.76 0.57 Allowed 'General case' 0 CA--C 1.549 0.922 0 CA-C-O 122.08 0.943 . . . . 10.0 112.02 -179.073 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 6.5 ptm180 -136.29 160.13 68.12 Favored Pre-proline 0 N--CA 1.472 0.675 0 C-N-CA 129.198 2.999 . . . . 10.0 110.495 173.198 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 7' ' ' PRO . . . . . . . . . . . . . 84.5 Cg_exo -46.85 121.35 4.91 Favored 'Trans proline' 0 CA--C 1.537 0.636 0 C-N-CA 123.229 2.62 . . . . 10.0 112.293 174.279 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . 112.92 -20.43 19.78 Favored Glycine 0 CA--C 1.538 1.493 0 C-N-CA 126.565 2.031 . . . . 10.0 114.622 -171.2 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -58.57 132.22 53.12 Favored 'General case' 0 CA--C 1.544 0.734 0 CA-C-N 119.416 1.608 . . . . 10.0 114.033 -170.531 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 10' ' ' PHE . . . . . . . . . . . . . 15.1 m-30 -57.39 142.28 44.3 Favored 'General case' 0 CA--C 1.543 0.674 0 C-N-CA 124.969 1.308 . . . . 10.0 112.544 170.9 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 74.2 mt -123.9 120.4 59.54 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.558 0 C-N-CA 125.38 1.472 . . . . 10.0 107.645 169.777 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 8.3 mtpm? -120.24 83.67 2.09 Favored 'General case' 0 N--CA 1.47 0.553 0 C-N-CA 126.238 1.815 . . . . 10.0 109.944 -176.805 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 16.6 mm100 -77.33 -40.13 45.25 Favored 'General case' 0 CA--C 1.541 0.6 0 C-N-CA 126.658 1.983 . . . . 10.0 110.838 171.684 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . 103.63 67.19 0.74 Allowed Glycine 0 CA--C 1.529 0.965 0 C-N-CA 126.418 1.961 . . . . 10.0 111.094 -178.825 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 20.8 ttp180 -135.28 120.59 19.03 Favored 'General case' 0 N--CA 1.471 0.587 0 C-N-CA 126.808 2.043 . . . . 10.0 110.947 -169.84 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 70.1 tttt -82.05 138.79 34.77 Favored 'General case' 0 N--CA 1.474 0.772 0 C-N-CA 126.302 1.841 . . . . 10.0 110.898 178.795 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 56.8 mt -123.17 139.81 53.67 Favored 'General case' 0 N--CA 1.472 0.665 0 C-N-CA 125.627 1.571 . . . . 10.0 112.676 -169.94 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 12.9 p-10 -79.0 91.71 4.88 Favored 'General case' 0 CA--C 1.546 0.817 0 C-N-CA 126.516 1.926 . . . . 10.0 111.894 172.669 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . 86.0 mt -134.49 127.95 50.75 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.818 0 C-N-CA 126.527 1.931 . . . . 10.0 108.713 179.638 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 22.5 t0 -92.84 87.01 5.67 Favored 'General case' 0 CA--C 1.538 0.504 0 C-N-CA 124.036 0.934 . . . . 10.0 110.649 171.888 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 21' ' ' PHE . . . . . . . . . . . . . 91.0 m-85 -64.72 -42.16 95.44 Favored 'General case' 0 CA--C 1.539 0.55 0 C-N-CA 127.041 2.136 . . . . 10.0 112.016 172.537 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 131.87 158.15 8.94 Favored Glycine 0 CA--C 1.532 1.131 0 C-N-CA 127.749 2.595 . . . . 10.0 109.772 -169.338 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -40.51 -59.01 1.44 Allowed 'General case' 0 CA--C 1.546 0.792 0 N-CA-C 115.245 1.572 . . . . 10.0 115.245 -169.563 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 2.0 tp10 -68.57 -41.0 80.31 Favored 'General case' 0 N--CA 1.473 0.698 0 O-C-N 121.504 -0.748 . . . . 10.0 112.972 -178.311 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -65.79 -38.39 94.35 Favored Glycine 0 CA--C 1.533 1.203 0 C-N-CA 124.321 0.962 . . . . 10.0 113.783 176.677 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 90.5 m-20 -58.24 -50.57 73.12 Favored 'General case' 0 CA--C 1.535 0.37 0 C-N-CA 125.909 1.684 . . . . 10.0 110.335 173.037 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 92.8 mtt180 -55.89 -49.63 72.87 Favored 'General case' 0 N--CA 1.478 0.963 0 C-N-CA 124.547 1.139 . . . . 10.0 111.026 174.68 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 28' ' ' TYR . . . . . . . . . . . . . 74.5 t80 -58.42 -56.37 23.03 Favored 'General case' 0 CA--C 1.536 0.412 0 C-N-CA 124.412 1.085 . . . . 10.0 112.249 179.963 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 29' ' ' TYR . . . . . . . . . . . . . 80.5 t80 -56.51 -50.59 71.34 Favored 'General case' 0 CA--C 1.537 0.459 0 C-N-CA 124.07 0.948 . . . . 10.0 112.201 176.454 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -51.81 -35.68 45.08 Favored 'General case' 0 CA--C 1.545 0.773 0 N-CA-C 113.713 1.005 . . . . 10.0 113.713 179.158 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -86.83 -28.75 22.72 Favored 'General case' 0 CA--C 1.551 1.004 0 C-N-CA 125.509 1.524 . . . . 10.0 114.945 175.898 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 32' ' ' ASN . . . . . . . . . . . . . 53.4 m-80 -122.83 10.78 9.61 Favored 'General case' 0 CA--C 1.547 0.83 0 N-CA-C 116.441 2.015 . . . . 10.0 116.441 -169.1 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 33' ' ' TYR . . . . . . . . . . . . . 45.7 p90 -48.23 -34.1 9.69 Favored 'General case' 0 N--CA 1.477 0.908 0 C-N-CA 126.277 1.831 . . . . 10.0 114.824 -177.755 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 34' ' ' TRP . . . . . . . . . . . . . 64.1 p-90 -51.44 -29.74 17.12 Favored 'General case' 0 CA--C 1.545 0.782 0 C-N-CA 126.298 1.839 . . . . 10.0 114.772 173.78 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 30.4 mt-30 -72.5 -31.88 65.72 Favored 'General case' 0 N--CA 1.473 0.709 0 C-N-CA 124.729 1.212 . . . . 10.0 113.771 175.562 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 36' ' ' PHE . . . . . . . . . . . . . 46.4 m-85 -78.75 151.98 77.25 Favored Pre-proline 0 CA--C 1.545 0.76 0 C-N-CA 125.045 1.338 . . . . 10.0 112.872 -169.671 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 94.9 Cg_endo -73.61 103.87 1.71 Allowed 'Trans proline' 0 CA--C 1.536 0.611 0 C-N-CA 123.49 2.793 . . . . 10.0 109.52 169.602 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 3.0 p30 -70.02 -24.61 63.31 Favored 'General case' 0 N--CA 1.474 0.768 0 O-C-N 120.786 -1.196 . . . . 10.0 112.482 179.045 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . -126.37 162.7 20.5 Favored Glycine 0 CA--C 1.539 1.56 0 C-N-CA 126.177 1.846 . . . . 10.0 110.805 168.821 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 40' ' ' ILE . . . . . . . . . . . . . 94.7 mt -137.01 123.73 29.45 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.883 0 C-N-CA 124.521 1.129 . . . . 10.0 108.901 173.431 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 41' ' ' TYR . . . . . . . . . . . . . 67.3 t80 -71.59 106.7 4.13 Favored 'General case' 0 CA--C 1.535 0.383 0 C-N-CA 123.694 0.798 . . . . 10.0 110.191 171.888 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 42' ' ' TYR . . . . . . . . . . . . . 83.9 t80 -155.09 135.16 13.02 Favored 'General case' 0 CA--C 1.534 0.364 0 C-N-CA 124.138 0.975 . . . . 10.0 110.856 172.035 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 47.5 mt-10 -134.37 83.51 2.04 Favored 'General case' 0 N--CA 1.471 0.591 0 C-N-CA 125.905 1.682 . . . . 10.0 110.404 -175.708 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . -81.81 -29.4 38.89 Favored Glycine 0 CA--C 1.536 1.38 0 C-N-CA 124.739 1.162 . . . . 10.0 114.622 -177.292 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 45' ' ' CYS . . . . . . . . . . . . . 66.2 m -55.83 119.94 6.58 Favored 'General case' 0 CA--C 1.543 0.693 0 C-N-CA 126.003 1.721 . . . . 10.0 112.907 -176.663 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 14.5 p -144.68 -61.09 0.37 Allowed 'General case' 0 N--CA 1.472 0.633 0 C-N-CA 126.086 1.755 . . . . 10.0 111.788 178.93 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 11.5 pt-20 -142.59 158.95 43.14 Favored 'General case' 0 N--CA 1.472 0.659 0 C-N-CA 125.969 1.708 . . . . 10.0 112.915 -179.362 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -52.94 -29.2 27.33 Favored 'General case' 0 CA--C 1.546 0.794 0 C-N-CA 126.262 1.825 . . . . 10.0 115.546 -174.891 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 74.6 m-20 -59.41 -29.12 67.52 Favored 'General case' 0 CA--C 1.545 0.784 0 C-N-CA 124.628 1.171 . . . . 10.0 113.196 173.989 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . 64.2 t -74.81 95.15 0.9 Allowed 'Isoleucine or valine' 0 N--CA 1.473 0.689 0 C-N-CA 124.589 1.156 . . . . 10.0 108.724 169.784 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 81.5 p -75.4 176.71 7.23 Favored 'General case' 0 N--CA 1.477 0.906 0 C-N-CA 125.381 1.473 . . . . 10.0 111.798 171.864 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 88.0 tttt -59.99 -50.39 73.93 Favored 'General case' 0 N--CA 1.473 0.684 0 O-C-N 121.067 -1.021 . . . . 10.0 110.94 169.761 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 2.3 mp0 -50.21 -49.89 51.34 Favored 'General case' 0 CA--C 1.538 0.509 0 C-N-CA 124.797 1.239 . . . . 10.0 111.915 176.578 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 54' ' ' MET . . . . . . . . . . . . . 84.4 mmm -54.82 -57.85 9.94 Favored 'General case' 0 N--CA 1.468 0.452 0 C-N-CA 124.628 1.171 . . . . 10.0 112.176 171.078 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 6.9 tt -60.07 -54.72 42.65 Favored 'General case' 0 CA--C 1.534 0.342 0 C-N-CA 124.3 1.04 . . . . 10.0 112.472 -174.043 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 96.2 t -58.47 -45.33 90.03 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.795 0 C-N-CA 125.543 1.537 . . . . 10.0 111.228 -177.391 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 57' ' ' THR . . . . . . . . . . . . . 62.4 m -60.44 -48.72 80.54 Favored 'General case' 0 N--CA 1.477 0.923 0 C-N-CA 124.148 0.979 . . . . 10.0 111.455 173.48 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 48.8 m -59.23 -39.3 82.31 Favored 'General case' 0 N--CA 1.471 0.609 0 C-N-CA 124.136 0.974 . . . . 10.0 112.612 176.086 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 59' ' ' CYS . . . . . . . . . . . . . 44.6 t -59.08 -48.78 80.35 Favored 'General case' 0 CA--C 1.536 0.44 0 C-N-CA 126.094 1.757 . . . . 10.0 112.662 173.447 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 60' ' ' VAL . . . . . . . . . . . . . 51.1 t -55.92 -50.63 67.9 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.042 0 CA-C-N 119.129 0.877 . . . . 10.0 111.298 171.993 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 61' ' ' ASN . . . . . . . . . . . . . 21.9 m-80 -57.04 -44.95 83.46 Favored 'General case' 0 CA--C 1.544 0.729 0 C-N-CA 124.508 1.123 . . . . 10.0 113.018 175.915 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -61.55 -46.66 88.99 Favored 'General case' 0 CA--C 1.538 0.484 0 C-N-CA 124.476 1.111 . . . . 10.0 111.33 174.834 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 63' ' ' THR . . . . . . . . . . . . . 32.6 m -55.89 -47.99 76.41 Favored 'General case' 0 N--CA 1.472 0.673 0 C-N-CA 125.376 1.471 . . . . 10.0 111.815 176.029 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 64' ' ' GLN . . . . . . . . . . . . . 42.1 mt-30 -50.16 -60.66 2.74 Favored 'General case' 0 CA--C 1.538 0.517 0 C-N-CA 124.413 1.085 . . . . 10.0 111.534 170.78 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -56.92 -43.54 81.53 Favored 'General case' 0 CA--C 1.545 0.758 0 C-N-CA 125.867 1.667 . . . . 10.0 114.141 -178.082 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -68.26 -35.82 78.48 Favored 'General case' 0 CA--C 1.545 0.755 0 C-N-CA 125.153 1.381 . . . . 10.0 114.206 179.506 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 67' ' ' ASN . . . . . . . . . . . . . 7.1 m-80 -123.54 37.81 4.33 Favored 'General case' 0 CA--C 1.547 0.836 0 C-N-CA 124.271 1.028 . . . . 10.0 113.091 -169.776 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 68' ' ' GLN . . . . . . . . . . . . . 62.8 mt-30 -51.94 -50.94 60.17 Favored 'General case' 0 N--CA 1.476 0.871 0 C-N-CA 126.142 1.777 . . . . 10.0 113.241 -175.917 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -53.43 -46.79 69.95 Favored 'General case' 0 CA--C 1.541 0.597 0 C-N-CA 125.257 1.423 . . . . 10.0 112.937 -178.199 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 23.5 mm-40 -58.21 -56.34 23.26 Favored 'General case' 0 N--CA 1.469 0.515 0 C-N-CA 124.5 1.12 . . . . 10.0 111.177 -178.564 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 71' ' ' PHE . . . . . . . . . . . . . 25.9 m-85 -55.71 -48.84 74.47 Favored 'General case' 0 CA--C 1.538 0.519 0 C-N-CA 124.522 1.129 . . . . 10.0 112.159 174.949 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 69.8 m -56.3 -46.44 79.8 Favored 'General case' 0 N--CA 1.473 0.703 0 C-N-CA 125.527 1.531 . . . . 10.0 113.386 -179.282 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 73' ' ' ARG . . . . . . . . . . . . . 28.7 mmm180 -66.16 -55.18 17.63 Favored 'General case' 0 N--CA 1.474 0.759 0 C-N-CA 124.501 1.121 . . . . 10.0 112.147 174.997 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 31.5 mm-40 -57.95 -55.86 29.43 Favored 'General case' 0 N--CA 1.471 0.579 0 C-N-CA 124.533 1.133 . . . . 10.0 113.493 -173.991 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 20.4 pttp -49.51 -27.28 4.18 Favored 'General case' 0 N--CA 1.473 0.686 0 N-CA-C 116.882 2.178 . . . . 10.0 116.882 -170.05 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 76' ' ' GLN . . . . . . . . . . . . . 21.9 mm100 -58.4 -33.83 70.08 Favored 'General case' 0 CA--C 1.542 0.667 0 C-N-CA 125.693 1.597 . . . . 10.0 113.055 178.228 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 32.6 t70 -135.1 -40.22 0.75 Allowed 'General case' 0 N--CA 1.473 0.715 0 C-N-CA 125.753 1.621 . . . . 10.0 113.088 -176.121 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -77.13 52.92 0.93 Allowed 'General case' 0 CA--C 1.545 0.767 0 C-N-CA 127.814 2.446 . . . . 10.0 112.681 -176.074 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 99.3 mttt -59.33 -52.29 66.26 Favored 'General case' 0 N--CA 1.475 0.778 0 C-N-CA 126.087 1.755 . . . . 10.0 112.421 -174.681 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 50.6 tp -57.14 -46.21 82.88 Favored 'General case' 0 N--CA 1.471 0.587 0 C-N-CA 123.873 0.869 . . . . 10.0 111.552 173.073 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 81' ' ' HIS . . . . . . . . . . . . . 17.7 t-160 -52.18 -54.48 30.28 Favored 'General case' 0 N--CA 1.47 0.566 0 CA-C-O 117.995 -1.002 . . . . 10.0 111.454 177.418 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 82' ' ' GLN . . . . . . . . . . . . . 20.4 mm100 -49.9 -52.44 33.0 Favored 'General case' 0 N--CA 1.473 0.684 0 CA-C-N 119.277 0.944 . . . . 10.0 112.858 178.656 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 83' ' ' ARG . . . . . . . . . . . . . 55.5 mmm-85 -54.61 -54.33 42.85 Favored 'General case' 0 N--CA 1.48 1.071 0 C-N-CA 123.905 0.882 . . . . 10.0 112.524 178.702 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 84' ' ' VAL . . . . . . . . . . . . . 43.7 t -59.32 -49.53 83.16 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.895 0 C-N-CA 125.519 1.527 . . . . 10.0 110.794 177.189 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 85' ' ' LEU . . . . . . . . . . . . . 47.4 tp -55.79 -47.28 77.36 Favored 'General case' 0 N--CA 1.468 0.458 0 C-N-CA 127.166 2.186 . . . . 10.0 112.83 178.11 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 86' ' ' TRP . . . . . . . . . . . . . 62.1 m95 -63.3 -42.8 99.07 Favored 'General case' 0 N--CA 1.469 0.491 0 N-CA-C 113.82 1.045 . . . . 10.0 113.82 175.356 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 87' ' ' ARG . . . . . . . . . . . . . 14.0 tpt180 -56.75 -50.87 70.95 Favored 'General case' 0 N--CA 1.476 0.865 0 CA-C-N 118.853 0.751 . . . . 10.0 111.553 170.067 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 88' ' ' LEU . . . . . . . . . . . . . 1.9 tm? -52.17 -52.78 49.86 Favored 'General case' 0 CA--C 1.545 0.783 0 C-N-CA 125.772 1.629 . . . . 10.0 111.816 173.89 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 89' ' ' ILE . . . . . . . . . . . . . 70.3 mt -53.28 -50.74 45.65 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.788 0 C-N-CA 124.705 1.202 . . . . 10.0 111.082 173.905 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 16.7 tppt? -57.53 -48.51 79.11 Favored 'General case' 0 N--CA 1.474 0.753 0 C-N-CA 124.613 1.165 . . . . 10.0 112.965 177.371 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 68.8 mm-40 -52.67 -48.98 66.13 Favored 'General case' 0 N--CA 1.474 0.775 0 CA-C-N 119.437 1.017 . . . . 10.0 111.869 174.01 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 92' ' ' ILE . . . . . . . . . . . . . 97.3 mt -60.92 -52.06 65.98 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.679 0 C-N-CA 124.142 0.977 . . . . 10.0 111.536 174.921 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 93' ' ' CYS . . . . . . . . . . . . . 56.4 m -56.01 -46.33 78.79 Favored 'General case' 0 CA--C 1.542 0.654 0 C-N-CA 123.821 0.848 . . . . 10.0 112.248 177.943 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 16.2 t -51.19 -37.88 49.12 Favored 'General case' 0 N--CA 1.476 0.868 0 C-N-CA 125.516 1.526 . . . . 10.0 113.777 173.495 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . -66.77 -21.97 66.05 Favored 'General case' 0 CA--C 1.548 0.894 0 N-CA-C 114.924 1.453 . . . . 10.0 114.924 179.702 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 96' ' ' LYS . . . . . . . . . . . . . 3.4 mptp? -62.63 123.8 19.33 Favored 'General case' 0 N--CA 1.48 1.06 0 CA-C-N 119.643 1.11 . . . . 10.0 109.748 173.46 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 97' ' ' HIS . . . . . 0.473 ' HA ' ' CZ3' ' A' ' 101' ' ' TRP . 3.5 m-70 -133.61 154.05 51.19 Favored 'General case' 0 N--CA 1.473 0.684 0 C-N-CA 125.515 1.526 . . . . 10.0 111.635 177.7 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 98' ' ' CYS . . . . . . . . . . . . . 33.2 m -118.14 135.95 53.91 Favored 'General case' 0 CA--C 1.537 0.48 0 C-N-CA 124.811 1.244 . . . . 10.0 111.645 -179.819 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 99' ' ' ASP . . . . . . . . . . . . . 32.2 t70 -58.75 -37.82 77.05 Favored 'General case' 0 CA--C 1.544 0.735 0 C-N-CA 124.852 1.261 . . . . 10.0 113.194 -179.899 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 100' ' ' PHE . . . . . . . . . . . . . 12.5 p90 -69.28 -12.53 61.75 Favored 'General case' 0 CA--C 1.545 0.776 0 N-CA-C 115.337 1.606 . . . . 10.0 115.337 -179.364 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 101' ' ' TRP . . . . . 0.473 ' CZ3' ' HA ' ' A' ' 97' ' ' HIS . 40.5 m0 -60.49 141.28 56.68 Favored 'General case' 0 N--CA 1.474 0.738 0 CA-C-N 119.901 1.228 . . . . 10.0 113.543 -179.093 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 102' ' ' LEU . . . . . . . . . . . . . 2.6 pt? -146.45 177.08 9.31 Favored 'General case' 0 CA--C 1.544 0.749 0 C-N-CA 127.474 2.309 . . . . 10.0 112.008 -169.932 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 10.9 pt-20 -63.92 161.91 14.79 Favored 'General case' 0 CA--C 1.548 0.866 0 N-CA-C 114.13 1.159 . . . . 10.0 114.13 177.641 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 104' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -61.37 153.48 26.67 Favored 'General case' 0 N--CA 1.477 0.92 0 C-N-CA 124.578 1.151 . . . . 10.0 113.888 179.293 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 105' ' ' GLY . . . . . . . . . . . . . . . -75.15 134.98 17.91 Favored Glycine 0 CA--C 1.535 1.314 0 C-N-CA 124.28 0.943 . . . . 10.0 112.029 173.331 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 106' ' ' ALA . . . . . . . . . . . . . . . -149.39 161.68 41.59 Favored 'General case' 0 CA--C 1.546 0.806 0 C-N-CA 125.307 1.443 . . . . 10.0 112.365 -179.658 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 107' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.253 1.264 0 C-N-CA 126.647 1.979 . . . . 10.0 112.137 179.929 . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A ' 1' ' ' ARG . . . . . . . . . . . . . 13.3 ptm180 . . . . . 0 N--CA 1.491 1.582 0 CA-C-O 120.557 0.218 . . . . 10.0 111.483 . . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A ' 2' ' ' VAL . . . . . . . . . . . . . 88.3 t -71.25 107.61 2.47 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.886 0 C-N-CA 124.334 1.053 . . . . 10.0 109.319 169.788 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -60.52 -33.61 72.88 Favored 'General case' 0 CA--C 1.543 0.687 0 C-N-CA 124.559 1.143 . . . . 10.0 113.179 -179.599 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 44.2 mt-10 -62.54 -14.44 42.05 Favored 'General case' 0 N--CA 1.475 0.796 0 C-N-CA 125.257 1.423 . . . . 10.0 113.838 174.311 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 5' ' ' ASN . . . . . . . . . . . . . 14.4 t-20 -130.37 59.4 1.65 Allowed 'General case' 0 CA--C 1.546 0.823 0 C-N-CA 126.418 1.887 . . . . 10.0 110.428 173.7 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 33.7 ptt180 -84.67 153.19 61.02 Favored Pre-proline 0 N--CA 1.475 0.81 0 C-N-CA 126.187 1.795 . . . . 10.0 111.819 169.794 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 7' ' ' PRO . . . . . . . . . . . . . 54.6 Cg_exo -51.43 121.04 7.77 Favored 'Trans proline' 0 CA--C 1.537 0.661 0 C-N-CA 123.461 2.774 . . . . 10.0 112.107 174.653 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . 115.34 -19.95 14.34 Favored Glycine 0 CA--C 1.537 1.434 0 C-N-CA 126.392 1.948 . . . . 10.0 114.216 -173.749 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -56.12 130.42 44.08 Favored 'General case' 0 CA--C 1.549 0.93 0 CA-C-N 119.432 1.616 . . . . 10.0 113.753 -171.322 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 10' ' ' PHE . . . . . . . . . . . . . 14.0 m-30 -57.78 145.44 34.85 Favored 'General case' 0 CA--C 1.542 0.657 0 C-N-CA 125.424 1.489 . . . . 10.0 113.085 173.844 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 53.4 mt -125.43 108.41 19.71 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.48 0 C-N-CA 125.06 1.344 . . . . 10.0 107.432 169.697 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 79.0 mttt -107.9 84.34 1.94 Allowed 'General case' 0 N--CA 1.471 0.622 0 C-N-CA 126.162 1.785 . . . . 10.0 110.417 -179.398 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 34.1 mt-30 -76.35 -35.33 58.77 Favored 'General case' 0 CA--C 1.541 0.599 0 C-N-CA 125.331 1.452 . . . . 10.0 110.508 169.717 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . 97.34 16.16 35.7 Favored Glycine 0 CA--C 1.535 1.316 0 C-N-CA 126.029 1.776 . . . . 10.0 113.122 -175.54 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 12.9 ttp180 -69.61 114.14 7.55 Favored 'General case' 0 N--CA 1.469 0.518 0 C-N-CA 127.609 2.364 . . . . 10.0 110.46 178.463 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 77.1 tttt -75.22 106.23 6.64 Favored 'General case' 0 N--CA 1.473 0.721 0 C-N-CA 125.236 1.414 . . . . 10.0 110.713 178.734 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 71.4 mt -79.77 179.66 7.41 Favored 'General case' 0 CA--C 1.546 0.8 0 C-N-CA 125.507 1.523 . . . . 10.0 112.221 -179.6 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 20.7 t70 -131.78 102.33 5.83 Favored 'General case' 0 CA--C 1.541 0.619 0 C-N-CA 125.695 1.598 . . . . 10.0 110.392 174.189 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . 95.4 mt -136.31 129.11 46.07 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.695 0 C-N-CA 127.159 2.183 . . . . 10.0 107.983 -175.542 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 24.3 t0 -87.31 84.1 7.26 Favored 'General case' 0 CA--C 1.54 0.567 0 CA-C-O 121.953 0.882 . . . . 10.0 110.828 172.737 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 21' ' ' PHE . . . . . . . . . . . . . 83.1 m-85 -62.61 -44.16 97.0 Favored 'General case' 0 CA--C 1.539 0.557 0 C-N-CA 126.786 2.035 . . . . 10.0 111.524 169.995 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 133.55 158.6 8.74 Favored Glycine 0 CA--C 1.533 1.213 0 C-N-CA 128.142 2.782 . . . . 10.0 110.185 -169.686 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -41.82 -53.93 3.55 Favored 'General case' 0 CA--C 1.547 0.852 0 N-CA-C 116.078 1.881 . . . . 10.0 116.078 -169.659 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 39.4 tt0 -66.28 -48.14 71.37 Favored 'General case' 0 N--CA 1.473 0.703 0 C-N-CA 125.086 1.354 . . . . 10.0 112.416 178.177 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -64.65 -40.28 97.39 Favored Glycine 0 CA--C 1.534 1.219 0 C-N-CA 124.958 1.266 . . . . 10.0 114.084 179.689 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 81.1 m-20 -55.09 -50.78 68.32 Favored 'General case' 0 CA--C 1.534 0.333 0 C-N-CA 126.468 1.907 . . . . 10.0 110.292 172.91 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 74.0 mtt85 -60.2 -46.08 90.95 Favored 'General case' 0 N--CA 1.475 0.808 0 C-N-CA 124.496 1.118 . . . . 10.0 111.701 176.656 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 28' ' ' TYR . . . . . . . . . . . . . 68.4 t80 -57.93 -54.65 44.57 Favored 'General case' 0 CA--C 1.537 0.452 0 C-N-CA 123.812 0.845 . . . . 10.0 112.322 176.636 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 29' ' ' TYR . . . . . . . . . . . . . 74.8 t80 -56.88 -51.36 69.36 Favored 'General case' 0 N--CA 1.468 0.438 0 C-N-CA 123.867 0.867 . . . . 10.0 112.097 176.467 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -51.23 -32.94 25.8 Favored 'General case' 0 CA--C 1.546 0.809 0 N-CA-C 114.007 1.114 . . . . 10.0 114.007 178.571 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -89.28 -28.57 19.8 Favored 'General case' 0 CA--C 1.551 1.019 0 C-N-CA 125.637 1.575 . . . . 10.0 114.962 175.914 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 32' ' ' ASN . . . . . . . . . . . . . 55.8 m-80 -122.53 7.64 9.52 Favored 'General case' 0 CA--C 1.547 0.859 0 N-CA-C 116.371 1.989 . . . . 10.0 116.371 -169.153 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 33' ' ' TYR . . . . . . . . . . . . . 47.5 p90 -43.87 -38.57 3.41 Favored 'General case' 0 N--CA 1.477 0.891 0 C-N-CA 127.548 2.339 . . . . 10.0 114.959 -178.006 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 34' ' ' TRP . . . . . . . . . . . . . 63.5 p-90 -49.95 -33.39 17.46 Favored 'General case' 0 CA--C 1.545 0.76 0 C-N-CA 126.528 1.931 . . . . 10.0 114.436 175.479 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 29.7 mt-30 -70.42 -32.02 69.46 Favored 'General case' 0 N--CA 1.471 0.62 0 C-N-CA 124.587 1.155 . . . . 10.0 113.956 176.69 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 36' ' ' PHE . . . . . . . . . . . . . 50.9 m-85 -78.13 150.31 77.43 Favored Pre-proline 0 CA--C 1.543 0.706 0 C-N-CA 125.171 1.388 . . . . 10.0 113.489 -169.556 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 83.2 Cg_endo -74.56 96.56 0.99 Allowed 'Trans proline' 0 CA--C 1.537 0.631 0 C-N-CA 123.661 2.907 . . . . 10.0 109.785 169.617 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 3.8 p30 -66.53 -25.24 66.58 Favored 'General case' 0 N--CA 1.474 0.75 0 O-C-N 120.963 -1.086 . . . . 10.0 112.401 178.642 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . -124.4 162.02 18.67 Favored Glycine 0 CA--C 1.537 1.408 0 C-N-CA 125.911 1.72 . . . . 10.0 110.717 168.904 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 40' ' ' ILE . . . . . . . . . . . . . 96.9 mt -135.96 124.14 36.72 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.712 0 C-N-CA 124.691 1.196 . . . . 10.0 108.74 175.173 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 41' ' ' TYR . . . . . . . . . . . . . 72.5 t80 -76.64 120.78 22.3 Favored 'General case' 0 CA--C 1.534 0.341 0 C-N-CA 124.379 1.071 . . . . 10.0 109.486 169.876 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 42' ' ' TYR . . . . . . . . . . . . . 49.6 t80 -151.54 151.62 31.83 Favored 'General case' 0 CA--C 1.541 0.602 0 O-C-N 121.418 -0.802 . . . . 10.0 111.901 177.147 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 48.1 mt-10 -130.16 96.61 4.22 Favored 'General case' 0 CA--C 1.538 0.494 0 C-N-CA 126.379 1.872 . . . . 10.0 109.717 -178.584 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . -113.94 -71.12 0.54 Allowed Glycine 0 CA--C 1.531 1.041 0 C-N-CA 125.56 1.552 . . . . 10.0 113.169 -174.281 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 45' ' ' CYS . . . . . . . . . . . . . 29.5 m -58.69 137.05 57.81 Favored 'General case' 0 CA--C 1.541 0.617 0 C-N-CA 125.463 1.505 . . . . 10.0 113.858 -178.698 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 49.4 p -145.91 -50.81 0.23 Allowed 'General case' 0 N--CA 1.472 0.661 0 C-N-CA 126.699 2.0 . . . . 10.0 111.417 179.61 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 11.5 pt-20 -138.54 161.2 37.67 Favored 'General case' 0 CA--C 1.541 0.605 0 C-N-CA 126.884 2.074 . . . . 10.0 112.352 178.643 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -52.48 -26.62 13.41 Favored 'General case' 0 CA--C 1.545 0.779 0 C-N-CA 126.484 1.914 . . . . 10.0 115.726 -174.614 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 71.0 m-20 -61.14 -31.03 70.75 Favored 'General case' 0 CA--C 1.545 0.758 0 C-N-CA 124.42 1.088 . . . . 10.0 113.32 174.478 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . 58.2 t -70.07 108.41 2.2 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.831 0 C-N-CA 124.434 1.094 . . . . 10.0 109.735 172.895 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 54.9 p -85.48 173.37 10.28 Favored 'General case' 0 N--CA 1.477 0.875 0 C-N-CA 124.186 0.994 . . . . 10.0 112.229 179.325 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 83.1 tttt -62.6 -49.02 76.89 Favored 'General case' 0 N--CA 1.471 0.584 0 O-C-N 121.403 -0.811 . . . . 10.0 110.954 169.742 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 2.3 mp0 -49.83 -48.35 50.99 Favored 'General case' 0 N--CA 1.471 0.584 0 C-N-CA 124.923 1.289 . . . . 10.0 112.212 174.975 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 54' ' ' MET . . . . . . . . . . . . . 92.9 mtp -55.1 -58.15 8.85 Favored 'General case' 0 N--CA 1.468 0.437 0 C-N-CA 124.409 1.084 . . . . 10.0 111.927 170.224 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 7.8 tt -53.73 -54.68 34.63 Favored 'General case' 0 CA--C 1.536 0.405 0 C-N-CA 124.185 0.994 . . . . 10.0 113.046 -178.544 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 47.8 t -58.95 -49.92 81.44 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.877 0 C-N-CA 124.155 0.982 . . . . 10.0 111.002 -175.017 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 57' ' ' THR . . . . . . . . . . . . . 31.0 m -60.67 -49.83 75.95 Favored 'General case' 0 N--CA 1.476 0.831 0 C-N-CA 124.488 1.115 . . . . 10.0 111.808 176.239 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 49.3 m -62.51 -37.92 87.94 Favored 'General case' 0 N--CA 1.472 0.638 0 C-N-CA 124.065 0.946 . . . . 10.0 112.651 179.512 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 59' ' ' CYS . . . . . . . . . . . . . 35.1 t -58.5 -49.27 77.98 Favored 'General case' 0 CA--C 1.537 0.475 0 C-N-CA 126.023 1.729 . . . . 10.0 112.452 173.332 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 60' ' ' VAL . . . . . . . . . . . . . 54.8 t -54.89 -51.14 55.85 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.062 0 C-N-CA 124.032 0.933 . . . . 10.0 111.342 171.664 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 61' ' ' ASN . . . . . . . . . . . . . 20.8 m-80 -58.11 -45.34 87.43 Favored 'General case' 0 CA--C 1.545 0.774 0 C-N-CA 124.547 1.139 . . . . 10.0 113.058 176.938 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -61.95 -47.37 85.18 Favored 'General case' 0 CA--C 1.535 0.398 0 C-N-CA 124.4 1.08 . . . . 10.0 111.297 175.914 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 63' ' ' THR . . . . . . . . . . . . . 33.4 m -53.12 -52.05 59.94 Favored 'General case' 0 N--CA 1.472 0.653 0 C-N-CA 125.057 1.343 . . . . 10.0 111.357 175.219 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 64' ' ' GLN . . . . . . . . . . . . . 79.3 mt-30 -49.5 -59.31 3.87 Favored 'General case' 0 N--CA 1.47 0.563 0 C-N-CA 125.253 1.421 . . . . 10.0 112.21 173.242 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -56.42 -43.22 79.16 Favored 'General case' 0 CA--C 1.544 0.743 0 C-N-CA 125.311 1.444 . . . . 10.0 113.554 179.717 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -71.96 -33.42 68.16 Favored 'General case' 0 CA--C 1.543 0.685 0 N-CA-C 114.634 1.346 . . . . 10.0 114.634 -177.07 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 67' ' ' ASN . . . . . . . . . . . . . 9.6 m-80 -122.55 40.18 3.74 Favored 'General case' 0 CA--C 1.547 0.863 0 CA-C-N 119.299 0.954 . . . . 10.0 112.737 -170.335 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 68' ' ' GLN . . . . . . . . . . . . . 65.9 mt-30 -53.91 -45.07 71.05 Favored 'General case' 0 N--CA 1.475 0.795 0 C-N-CA 125.572 1.549 . . . . 10.0 113.338 -177.949 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -54.94 -43.57 73.52 Favored 'General case' 0 CA--C 1.544 0.73 0 C-N-CA 125.363 1.465 . . . . 10.0 113.43 179.462 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 10.0 mm-40 -65.44 -53.62 40.28 Favored 'General case' 0 N--CA 1.47 0.567 0 C-N-CA 125.636 1.575 . . . . 10.0 111.37 176.669 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 71' ' ' PHE . . . . . . . . . . . . . 37.6 m-85 -61.25 -31.45 71.25 Favored 'General case' 0 N--CA 1.469 0.502 0 N-CA-C 113.669 0.988 . . . . 10.0 113.669 178.25 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 69.6 m -62.18 -55.51 27.88 Favored 'General case' 0 N--CA 1.471 0.596 0 C-N-CA 124.004 0.922 . . . . 10.0 112.16 175.417 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 73' ' ' ARG . . . . . . . . . . . . . 20.2 ptp180 -70.25 -50.7 37.01 Favored 'General case' 0 N--CA 1.476 0.832 0 C-N-CA 124.05 0.94 . . . . 10.0 113.437 -177.815 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 69.5 mm-40 -81.33 52.35 1.82 Allowed 'General case' 0 N--CA 1.477 0.91 0 C-N-CA 125.311 1.444 . . . . 10.0 112.236 -179.741 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 41.0 ttmt -142.37 -53.68 0.42 Allowed 'General case' 0 N--CA 1.477 0.923 0 C-N-CA 125.841 1.656 . . . . 10.0 113.288 176.623 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 76' ' ' GLN . . . . . . . . . . . . . 17.7 mm100 -43.93 -45.48 7.69 Favored 'General case' 0 N--CA 1.474 0.768 0 C-N-CA 126.992 2.117 . . . . 10.0 114.533 -169.832 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 26.4 t0 -135.76 50.07 2.12 Favored 'General case' 0 CA--C 1.544 0.747 0 C-N-CA 124.889 1.276 . . . . 10.0 110.36 169.911 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 5.6 m -143.84 37.17 1.3 Allowed 'General case' 0 N--CA 1.477 0.886 0 C-N-CA 125.209 1.404 . . . . 10.0 112.43 -169.907 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 14.5 mmmm -58.97 -45.38 90.69 Favored 'General case' 0 N--CA 1.478 0.969 0 C-N-CA 124.863 1.265 . . . . 10.0 112.941 -175.119 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 44.6 tp -55.72 -46.88 77.64 Favored 'General case' 0 N--CA 1.472 0.632 0 C-N-CA 124.378 1.071 . . . . 10.0 111.85 171.365 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 81' ' ' HIS . . . . . . . . . . . . . 10.0 t-160 -56.63 -54.83 41.5 Favored 'General case' 0 N--CA 1.47 0.53 0 CA-C-O 118.164 -0.922 . . . . 10.0 110.996 174.164 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 82' ' ' GLN . . . . . . . . . . . . . 75.0 mm-40 -48.53 -55.66 10.47 Favored 'General case' 0 N--CA 1.476 0.827 0 C-N-CA 124.603 1.161 . . . . 10.0 112.655 176.348 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 83' ' ' ARG . . . . . . . . . . . . . 48.2 mtp180 -47.82 -57.99 4.93 Favored 'General case' 0 N--CA 1.48 1.064 0 C-N-CA 125.468 1.507 . . . . 10.0 112.548 178.295 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 84' ' ' VAL . . . . . . . . . . . . . 46.9 t -62.87 -50.12 80.94 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.8 0 C-N-CA 125.625 1.57 . . . . 10.0 111.019 179.193 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 85' ' ' LEU . . . . . . . . . . . . . 47.5 tp -55.09 -47.02 75.49 Favored 'General case' 0 N--CA 1.469 0.514 0 C-N-CA 126.541 1.936 . . . . 10.0 112.65 179.652 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 86' ' ' TRP . . . . . . . . . . . . . 63.0 m95 -62.43 -45.9 91.01 Favored 'General case' 0 N--CA 1.465 0.301 0 N-CA-C 113.66 0.985 . . . . 10.0 113.66 175.471 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 87' ' ' ARG . . . . . . . . . . . . . 13.9 tpt180 -55.77 -50.9 69.2 Favored 'General case' 0 N--CA 1.473 0.721 0 CA-C-N 119.062 0.846 . . . . 10.0 111.489 171.212 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 88' ' ' LEU . . . . . . . . . . . . . 1.7 tm? -52.52 -53.31 47.77 Favored 'General case' 0 CA--C 1.545 0.769 0 C-N-CA 125.982 1.713 . . . . 10.0 112.027 175.314 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 89' ' ' ILE . . . . . . . . . . . . . 70.7 mt -54.93 -53.91 28.86 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.835 0 C-N-CA 124.355 1.062 . . . . 10.0 111.059 175.237 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 94.2 mttt -57.95 -43.5 86.41 Favored 'General case' 0 N--CA 1.472 0.627 0 C-N-CA 124.525 1.13 . . . . 10.0 112.836 178.322 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 8.7 tp10 -54.65 -51.45 65.39 Favored 'General case' 0 CA--C 1.543 0.704 0 C-N-CA 125.502 1.521 . . . . 10.0 111.465 173.309 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 92' ' ' ILE . . . . . . . . . . . . . 96.5 mt -57.58 -52.55 55.85 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.932 0 C-N-CA 124.814 1.246 . . . . 10.0 111.551 174.049 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 93' ' ' CYS . . . . . . . . . . . . . 91.1 m -56.07 -43.36 77.9 Favored 'General case' 0 CA--C 1.547 0.843 0 C-N-CA 124.195 0.998 . . . . 10.0 112.363 177.625 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 53.6 m -65.89 -40.39 91.53 Favored 'General case' 0 N--CA 1.477 0.892 0 C-N-CA 126.445 1.898 . . . . 10.0 113.657 176.662 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . -62.03 -53.33 57.08 Favored 'General case' 0 CA--C 1.543 0.683 0 C-N-CA 125.008 1.323 . . . . 10.0 113.063 -176.256 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 96' ' ' LYS . . . . . . . . . . . . . 18.9 ptpt -61.31 132.99 55.36 Favored 'General case' 0 N--CA 1.476 0.845 0 C-N-CA 124.587 1.155 . . . . 10.0 112.81 -178.637 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 97' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -133.13 153.69 51.29 Favored 'General case' 0 N--CA 1.47 0.551 0 C-N-CA 126.446 1.898 . . . . 10.0 114.083 -172.648 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 98' ' ' CYS . . . . . . . . . . . . . 56.2 m -111.11 129.83 55.81 Favored 'General case' 0 N--CA 1.47 0.564 0 C-N-CA 124.764 1.225 . . . . 10.0 112.029 -174.532 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 99' ' ' ASP . . . . . . . . . . . . . 5.9 p-10 -61.03 -31.4 71.04 Favored 'General case' 0 CA--C 1.543 0.674 0 C-N-CA 125.167 1.387 . . . . 10.0 114.703 -172.648 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 100' ' ' PHE . . . . . . . . . . . . . 7.1 p90 -73.6 -14.87 61.26 Favored 'General case' 0 CA--C 1.543 0.701 0 N-CA-C 114.804 1.409 . . . . 10.0 114.804 179.8 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 101' ' ' TRP . . . . . . . . . . . . . 43.5 m0 -58.92 139.8 56.19 Favored 'General case' 0 N--CA 1.472 0.654 0 CA-C-N 119.652 1.115 . . . . 10.0 112.861 -179.982 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 102' ' ' LEU . . . . . . . . . . . . . 2.7 pt? -145.28 168.88 19.39 Favored 'General case' 0 CA--C 1.542 0.637 0 C-N-CA 126.8 2.04 . . . . 10.0 112.299 -169.921 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 8.8 tp10 -145.04 155.46 43.37 Favored 'General case' 0 CA--C 1.544 0.744 0 C-N-CA 125.825 1.65 . . . . 10.0 111.128 -179.304 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 104' ' ' ARG . . . . . . . . . . . . . 64.5 mtm180 -54.3 -38.48 65.96 Favored 'General case' 0 N--CA 1.48 1.036 0 C-N-CA 127.221 2.208 . . . . 10.0 113.401 178.566 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 105' ' ' GLY . . . . . . . . . . . . . . . -156.68 -154.27 6.96 Favored Glycine 0 CA--C 1.535 1.282 0 C-N-CA 126.11 1.814 . . . . 10.0 112.657 177.789 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 106' ' ' ALA . . . . . . . . . . . . . . . -142.57 160.92 39.35 Favored 'General case' 0 CA--C 1.545 0.758 0 C-N-CA 125.538 1.535 . . . . 10.0 112.233 179.65 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 107' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.253 1.263 0 C-N-CA 126.687 1.995 . . . . 10.0 112.036 -179.866 . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A ' 1' ' ' ARG . . . . . . . . . . . . . 9.6 ptp180 . . . . . 0 N--CA 1.49 1.562 0 N-CA-C 111.446 0.165 . . . . 10.0 111.446 . . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A ' 2' ' ' VAL . . . . . . . . . . . . . 8.5 p -77.52 132.74 32.07 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.959 0 C-N-CA 124.113 0.965 . . . . 10.0 111.003 172.023 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -60.38 -36.15 77.41 Favored 'General case' 0 CA--C 1.544 0.734 0 C-N-CA 124.429 1.092 . . . . 10.0 113.219 -179.935 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 43.3 mt-10 -57.83 -22.63 48.73 Favored 'General case' 0 N--CA 1.474 0.736 0 C-N-CA 125.988 1.715 . . . . 10.0 114.588 179.868 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 5' ' ' ASN . . . . . . . . . . . . . 55.1 t30 -137.31 59.91 1.66 Allowed 'General case' 0 CA--C 1.544 0.744 0 C-N-CA 125.44 1.496 . . . . 10.0 111.561 176.273 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 7.8 ptm180 -72.7 155.67 90.67 Favored Pre-proline 0 N--CA 1.477 0.883 0 C-N-CA 124.144 0.978 . . . . 10.0 112.464 169.848 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 7' ' ' PRO . . . . . . . . . . . . . 67.1 Cg_exo -51.62 128.16 25.15 Favored 'Trans proline' 0 C--N 1.35 0.648 0 C-N-CA 123.584 2.856 . . . . 10.0 112.276 171.153 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . 106.77 -13.45 42.01 Favored Glycine 0 CA--C 1.535 1.315 0 C-N-CA 126.081 1.8 . . . . 10.0 114.143 -173.228 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -61.92 130.08 43.94 Favored 'General case' 0 CA--C 1.545 0.759 0 CA-C-N 119.39 1.595 . . . . 10.0 112.569 -176.171 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 10' ' ' PHE . . . . . . . . . . . . . 21.1 m-85 -61.28 149.3 38.34 Favored 'General case' 0 CA--C 1.541 0.602 0 C-N-CA 124.065 0.946 . . . . 10.0 112.587 174.238 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 76.7 mt -121.54 117.31 52.22 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.476 0 C-N-CA 125.735 1.614 . . . . 10.0 107.208 169.77 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 91.8 mttt -120.2 79.23 1.44 Allowed 'General case' 0 N--CA 1.471 0.59 0 C-N-CA 125.996 1.718 . . . . 10.0 109.74 -175.676 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 42.0 mt-30 -73.77 -36.72 65.12 Favored 'General case' 0 CA--C 1.539 0.536 0 C-N-CA 126.177 1.791 . . . . 10.0 110.854 171.687 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . 96.72 64.12 0.92 Allowed Glycine 0 CA--C 1.528 0.873 0 C-N-CA 125.423 1.487 . . . . 10.0 110.492 -178.317 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 15.7 ttp180 -132.33 106.57 7.99 Favored 'General case' 0 N--CA 1.469 0.496 0 C-N-CA 127.049 2.14 . . . . 10.0 110.142 -169.545 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 41.1 tttm -65.94 130.31 42.81 Favored 'General case' 0 N--CA 1.474 0.731 0 C-N-CA 123.865 0.866 . . . . 10.0 110.766 176.412 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 66.8 mt -96.89 -179.98 4.75 Favored 'General case' 0 CA--C 1.545 0.755 0 C-N-CA 126.581 1.952 . . . . 10.0 111.892 176.982 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 19.4 t0 -130.26 94.52 3.7 Favored 'General case' 0 CA--C 1.541 0.612 0 C-N-CA 125.863 1.665 . . . . 10.0 109.944 174.666 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . 94.3 mt -135.04 127.75 48.59 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.699 0 C-N-CA 126.915 2.086 . . . . 10.0 108.134 -173.321 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 23.6 t0 -86.58 84.71 7.35 Favored 'General case' 0 CA--C 1.539 0.54 0 CA-C-O 121.906 0.86 . . . . 10.0 110.542 171.712 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 21' ' ' PHE . . . . . . . . . . . . . 74.9 m-85 -62.81 -43.26 99.28 Favored 'General case' 0 CA--C 1.54 0.596 0 C-N-CA 126.794 2.038 . . . . 10.0 111.565 170.704 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 136.0 151.66 6.18 Favored Glycine 0 CA--C 1.533 1.186 0 C-N-CA 128.184 2.802 . . . . 10.0 109.685 -169.754 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -39.72 -58.31 1.36 Allowed 'General case' 0 CA--C 1.547 0.834 0 N-CA-C 115.785 1.772 . . . . 10.0 115.785 -169.46 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 33.7 tt0 -65.33 -43.27 91.5 Favored 'General case' 0 CA--C 1.546 0.79 0 C-N-CA 124.145 0.978 . . . . 10.0 112.718 -179.727 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -65.9 -39.14 94.85 Favored Glycine 0 CA--C 1.535 1.286 0 C-N-CA 124.823 1.202 . . . . 10.0 114.023 176.325 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 83.2 m-20 -56.79 -49.44 75.33 Favored 'General case' 0 CA--C 1.536 0.432 0 C-N-CA 125.842 1.657 . . . . 10.0 110.422 173.343 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 71.8 mtp85 -59.97 -45.95 91.03 Favored 'General case' 0 N--CA 1.473 0.719 0 C-N-CA 125.054 1.342 . . . . 10.0 111.468 176.592 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 28' ' ' TYR . . . . . . . . . . . . . 82.8 t80 -58.71 -53.87 53.53 Favored 'General case' 0 CA--C 1.537 0.449 0 C-N-CA 124.194 0.998 . . . . 10.0 112.008 176.459 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 29' ' ' TYR . . . . . . . . . . . . . 80.2 t80 -55.96 -52.87 62.63 Favored 'General case' 0 CA--C 1.537 0.45 0 C-N-CA 124.325 1.05 . . . . 10.0 112.484 176.684 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -49.84 -38.26 34.35 Favored 'General case' 0 CA--C 1.546 0.826 0 C-N-CA 124.232 1.013 . . . . 10.0 113.702 177.577 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -84.41 -23.26 30.11 Favored 'General case' 0 CA--C 1.551 0.985 0 N-CA-C 115.279 1.585 . . . . 10.0 115.279 176.759 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 32' ' ' ASN . . . . . . . . . . . . . 58.0 m-80 -128.48 10.03 6.12 Favored 'General case' 0 CA--C 1.548 0.883 0 N-CA-C 116.692 2.108 . . . . 10.0 116.692 -169.189 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 33' ' ' TYR . . . . . . . . . . . . . 43.4 p90 -51.33 -29.35 14.89 Favored 'General case' 0 N--CA 1.477 0.909 0 N-CA-C 115.15 1.537 . . . . 10.0 115.15 -175.648 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 34' ' ' TRP . . . . . . . . . . . . . 65.7 p-90 -50.93 -34.23 27.7 Favored 'General case' 0 CA--C 1.545 0.767 0 C-N-CA 125.85 1.66 . . . . 10.0 114.168 173.422 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 30.7 mt-30 -69.5 -39.09 77.8 Favored 'General case' 0 N--CA 1.472 0.65 0 C-N-CA 124.851 1.261 . . . . 10.0 113.672 176.34 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 36' ' ' PHE . . . . . . . . . . . . . 63.1 m-85 -73.57 154.32 89.63 Favored Pre-proline 0 CA--C 1.545 0.765 0 C-N-CA 126.305 1.842 . . . . 10.0 114.904 -169.178 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 94.3 Cg_endo -74.24 121.04 6.57 Favored 'Trans proline' 0 CA--C 1.537 0.652 0 C-N-CA 123.827 3.018 . . . . 10.0 109.494 169.171 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 3.6 p30 -87.42 -23.53 24.48 Favored 'General case' 0 CA--C 1.545 0.783 0 O-C-N 121.426 -0.796 . . . . 10.0 112.205 173.284 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . -131.36 167.11 22.64 Favored Glycine 0 CA--C 1.539 1.558 0 C-N-CA 126.365 1.936 . . . . 10.0 111.635 168.948 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 40' ' ' ILE . . . . . . . . . . . . . 96.8 mt -139.69 125.56 22.03 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.953 0 C-N-CA 125.079 1.351 . . . . 10.0 109.081 174.381 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 41' ' ' TYR . . . . . . . . . . . . . 86.7 t80 -75.48 117.6 17.45 Favored 'General case' 0 CA--C 1.537 0.455 0 C-N-CA 124.72 1.208 . . . . 10.0 110.279 169.968 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 42' ' ' TYR . . . . . . . . . . . . . 62.5 t80 -153.63 152.73 31.19 Favored 'General case' 0 CA--C 1.541 0.612 0 C-N-CA 124.263 1.025 . . . . 10.0 111.697 178.596 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 51.0 mt-10 -130.17 99.42 5.05 Favored 'General case' 0 N--CA 1.47 0.532 0 C-N-CA 125.879 1.672 . . . . 10.0 110.523 -179.441 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . -107.43 -49.99 0.83 Allowed Glycine 0 CA--C 1.532 1.13 0 C-N-CA 125.412 1.482 . . . . 10.0 114.313 -174.791 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 45' ' ' CYS . . . . . . . . . . . . . 65.2 m -59.51 127.05 30.1 Favored 'General case' 0 CA--C 1.544 0.747 0 C-N-CA 125.691 1.597 . . . . 10.0 113.246 -174.983 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 65.7 p -139.06 -58.61 0.6 Allowed 'General case' 0 N--CA 1.474 0.762 0 C-N-CA 125.834 1.654 . . . . 10.0 112.15 174.867 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 12.1 pt-20 -144.24 158.82 43.52 Favored 'General case' 0 N--CA 1.472 0.639 0 C-N-CA 125.933 1.693 . . . . 10.0 113.02 179.509 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -57.19 -21.06 30.56 Favored 'General case' 0 CA--C 1.545 0.773 0 N-CA-C 115.702 1.742 . . . . 10.0 115.702 -175.243 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 76.1 m-20 -65.61 -26.77 67.98 Favored 'General case' 0 CA--C 1.545 0.78 0 C-N-CA 124.244 1.018 . . . . 10.0 113.382 172.571 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . 67.8 t -63.63 115.05 2.2 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.85 0 C-N-CA 124.472 1.109 . . . . 10.0 109.348 170.554 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 39.6 p -86.41 172.57 10.28 Favored 'General case' 0 N--CA 1.475 0.787 0 C-N-CA 123.608 0.763 . . . . 10.0 111.983 177.383 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 40.8 tttp -60.61 -50.22 74.41 Favored 'General case' 0 N--CA 1.473 0.697 0 O-C-N 121.41 -0.806 . . . . 10.0 111.245 169.984 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 44.7 mt-10 -51.07 -49.08 61.33 Favored 'General case' 0 N--CA 1.471 0.597 0 C-N-CA 124.504 1.121 . . . . 10.0 111.803 176.011 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 54' ' ' MET . . . . . . . . . . . . . 94.5 mtp -54.25 -57.32 11.64 Favored 'General case' 0 N--CA 1.468 0.444 0 C-N-CA 124.193 0.997 . . . . 10.0 112.186 171.552 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 8.0 tt -61.69 -52.95 62.2 Favored 'General case' 0 CA--C 1.536 0.426 0 C-N-CA 123.553 0.741 . . . . 10.0 112.731 -173.424 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 62.5 t -57.32 -48.58 82.22 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.864 0 C-N-CA 124.961 1.305 . . . . 10.0 110.756 -179.869 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 57' ' ' THR . . . . . . . . . . . . . 65.9 m -59.94 -48.01 83.44 Favored 'General case' 0 N--CA 1.479 0.975 0 C-N-CA 124.346 1.058 . . . . 10.0 111.839 175.972 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 48.7 m -60.66 -39.56 88.8 Favored 'General case' 0 N--CA 1.472 0.635 0 C-N-CA 124.154 0.982 . . . . 10.0 112.522 177.395 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 59' ' ' CYS . . . . . . . . . . . . . 33.7 t -58.29 -49.4 77.26 Favored 'General case' 0 CA--C 1.54 0.561 0 C-N-CA 125.351 1.46 . . . . 10.0 112.759 171.451 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 60' ' ' VAL . . . . . . . . . . . . . 47.8 t -55.36 -48.7 76.52 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.067 0 C-N-CA 123.943 0.897 . . . . 10.0 111.501 172.092 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 61' ' ' ASN . . . . . . . . . . . . . 13.3 m-80 -59.2 -44.63 92.23 Favored 'General case' 0 CA--C 1.544 0.725 0 C-N-CA 124.547 1.139 . . . . 10.0 113.051 176.082 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -60.84 -46.51 90.28 Favored 'General case' 0 CA--C 1.537 0.445 0 C-N-CA 123.774 0.83 . . . . 10.0 111.284 174.25 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 63' ' ' THR . . . . . . . . . . . . . 27.1 m -57.53 -46.97 83.21 Favored 'General case' 0 N--CA 1.473 0.713 0 C-N-CA 124.992 1.317 . . . . 10.0 111.928 176.485 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 64' ' ' GLN . . . . . . . . . . . . . 62.1 mt-30 -50.47 -61.98 1.86 Allowed 'General case' 0 N--CA 1.468 0.451 0 C-N-CA 124.675 1.19 . . . . 10.0 111.662 169.995 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -55.14 -43.21 73.97 Favored 'General case' 0 CA--C 1.544 0.747 0 C-N-CA 125.732 1.613 . . . . 10.0 113.737 -178.471 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -66.28 -39.92 89.74 Favored 'General case' 0 CA--C 1.543 0.685 0 C-N-CA 125.449 1.5 . . . . 10.0 114.203 178.523 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 67' ' ' ASN . . . . . . . . . . . . . 12.5 m-80 -120.75 37.5 4.28 Favored 'General case' 0 N--CA 1.474 0.737 0 C-N-CA 124.206 1.002 . . . . 10.0 113.338 -169.575 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 68' ' ' GLN . . . . . . . . . . . . . 63.3 mt-30 -51.54 -53.36 38.67 Favored 'General case' 0 N--CA 1.475 0.798 0 C-N-CA 125.745 1.618 . . . . 10.0 112.417 -179.014 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -52.54 -45.78 66.5 Favored 'General case' 0 CA--C 1.54 0.582 0 C-N-CA 125.309 1.444 . . . . 10.0 112.944 178.769 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 8.2 mm-40 -57.78 -56.08 26.62 Favored 'General case' 0 N--CA 1.471 0.59 0 C-N-CA 124.45 1.1 . . . . 10.0 111.601 179.733 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 71' ' ' PHE . . . . . . . . . . . . . 29.6 m-85 -55.71 -50.1 71.23 Favored 'General case' 0 CA--C 1.539 0.54 0 C-N-CA 124.374 1.069 . . . . 10.0 112.098 176.75 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 61.9 m -56.65 -52.8 63.49 Favored 'General case' 0 N--CA 1.474 0.725 0 C-N-CA 124.857 1.263 . . . . 10.0 113.519 177.175 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 73' ' ' ARG . . . . . . . . . . . . . 64.4 mtm180 -60.03 -55.5 33.23 Favored 'General case' 0 N--CA 1.476 0.864 0 C-N-CA 124.754 1.221 . . . . 10.0 112.537 179.485 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 52.0 mm-40 -55.05 -68.45 0.19 Allowed 'General case' 0 CA--C 1.541 0.603 0 C-N-CA 125.011 1.324 . . . . 10.0 112.793 -178.5 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 88.0 tttt -33.11 -45.93 0.15 Allowed 'General case' 0 N--CA 1.481 1.081 0 C-N-CA 129.054 2.942 . . . . 10.0 116.096 -171.317 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 76' ' ' GLN . . . . . . . . . . . . . 20.0 mm100 -46.7 -49.38 19.5 Favored 'General case' 0 CA--C 1.542 0.661 0 C-N-CA 125.734 1.613 . . . . 10.0 113.025 178.129 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 32.7 t70 -104.59 -50.8 3.22 Favored 'General case' 0 N--CA 1.471 0.624 0 C-N-CA 125.447 1.499 . . . . 10.0 111.608 176.982 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 56.3 m -75.23 65.65 1.61 Allowed 'General case' 0 CA--C 1.54 0.568 0 C-N-CA 127.552 2.341 . . . . 10.0 112.018 176.328 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 64.0 mttp -66.24 -59.92 3.28 Favored 'General case' 0 N--CA 1.475 0.821 0 C-N-CA 126.519 1.927 . . . . 10.0 112.148 178.658 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 62.9 tp -53.16 -42.06 65.77 Favored 'General case' 0 N--CA 1.476 0.834 0 C-N-CA 125.091 1.356 . . . . 10.0 112.006 176.238 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 81' ' ' HIS . . . . . . . . . . . . . 13.6 t-160 -46.58 -48.17 19.64 Favored 'General case' 0 N--CA 1.468 0.454 0 C-N-CA 124.798 1.239 . . . . 10.0 111.839 179.632 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 82' ' ' GLN . . . . . . . . . . . . . 70.2 mm-40 -52.35 -52.09 55.25 Favored 'General case' 0 N--CA 1.47 0.564 0 C-N-CA 124.355 1.062 . . . . 10.0 112.825 -177.72 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 83' ' ' ARG . . . . . . . . . . . . . 16.4 mmp_? -55.03 -53.46 55.5 Favored 'General case' 0 N--CA 1.478 0.951 0 C-N-CA 124.799 1.239 . . . . 10.0 111.836 -179.991 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 84' ' ' VAL . . . . . . . . . . . . . 18.3 t -59.8 -53.49 47.78 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.769 0 C-N-CA 126.217 1.807 . . . . 10.0 110.722 177.813 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 85' ' ' LEU . . . . . . . . . . . . . 48.4 tp -55.73 -50.5 70.18 Favored 'General case' 0 CA--C 1.535 0.367 0 C-N-CA 127.145 2.178 . . . . 10.0 112.54 179.94 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 86' ' ' TRP . . . . . . . . . . . . . 56.0 m95 -60.73 -43.52 97.8 Favored 'General case' 0 N--CA 1.466 0.352 0 N-CA-C 113.567 0.951 . . . . 10.0 113.567 175.944 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 87' ' ' ARG . . . . . . . . . . . . . 13.8 tpt180 -56.29 -48.52 76.47 Favored 'General case' 0 N--CA 1.473 0.715 0 CA-C-N 118.897 0.771 . . . . 10.0 111.384 170.807 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 88' ' ' LEU . . . . . . . . . . . . . 1.7 tt -56.72 -53.0 62.78 Favored 'General case' 0 CA--C 1.544 0.743 0 C-N-CA 124.474 1.11 . . . . 10.0 111.846 176.142 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 89' ' ' ILE . . . . . . . . . . . . . 76.8 mt -50.66 -52.73 15.47 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.75 0 C-N-CA 124.846 1.258 . . . . 10.0 110.795 174.343 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 61.9 mtpt -57.19 -44.62 83.79 Favored 'General case' 0 N--CA 1.472 0.658 0 C-N-CA 124.379 1.072 . . . . 10.0 113.02 174.978 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 6.2 tp10 -55.62 -48.6 74.66 Favored 'General case' 0 CA--C 1.547 0.839 0 C-N-CA 125.062 1.345 . . . . 10.0 112.139 174.403 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 92' ' ' ILE . . . . . . . . . . . . . 96.1 mt -58.37 -54.01 38.58 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.863 0 C-N-CA 125.062 1.345 . . . . 10.0 111.118 172.077 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 93' ' ' CYS . . . . . . . . . . . . . 96.3 m -55.53 -43.08 75.42 Favored 'General case' 0 CA--C 1.546 0.803 0 C-N-CA 123.929 0.892 . . . . 10.0 112.655 178.41 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 67.5 m -58.58 -34.87 71.57 Favored 'General case' 0 N--CA 1.477 0.893 0 C-N-CA 126.326 1.85 . . . . 10.0 113.732 176.822 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . -67.91 -27.64 66.82 Favored 'General case' 0 CA--C 1.547 0.853 0 C-N-CA 124.437 1.095 . . . . 10.0 113.868 177.828 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 96' ' ' LYS . . . . . . . . . . . . . 42.1 mttm -63.85 127.62 32.17 Favored 'General case' 0 N--CA 1.477 0.915 0 C-N-CA 125.364 1.466 . . . . 10.0 112.252 -174.71 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 97' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -131.49 148.2 52.61 Favored 'General case' 0 CA--C 1.537 0.478 0 C-N-CA 126.249 1.82 . . . . 10.0 114.409 -172.035 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 98' ' ' CYS . . . . . . . . . . . . . 56.0 m -109.45 137.86 46.68 Favored 'General case' 0 CA--C 1.538 0.504 0 C-N-CA 124.958 1.303 . . . . 10.0 111.821 177.828 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 99' ' ' ASP . . . . . . . . . . . . . 31.4 t70 -60.72 -41.58 95.56 Favored 'General case' 0 N--CA 1.474 0.735 0 C-N-CA 124.556 1.142 . . . . 10.0 112.989 179.643 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 100' ' ' PHE . . . . . . . . . . . . . 6.3 p90 -70.49 -12.03 61.31 Favored 'General case' 0 CA--C 1.545 0.758 0 N-CA-C 115.4 1.629 . . . . 10.0 115.4 -178.704 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 101' ' ' TRP . . . . . . . . . . . . . 6.5 m0 -61.38 152.31 29.96 Favored 'General case' 0 CA--C 1.541 0.604 0 N-CA-C 115.702 1.741 . . . . 10.0 115.702 -169.755 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 102' ' ' LEU . . . . . . . . . . . . . 3.6 mp -124.18 -162.77 1.09 Allowed 'General case' 0 CA--C 1.544 0.73 0 C-N-CA 128.432 2.693 . . . . 10.0 108.512 170.22 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 13.0 pt-20 -48.67 -33.73 10.55 Favored 'General case' 0 N--CA 1.479 1.004 0 N-CA-C 115.858 1.799 . . . . 10.0 115.858 -176.511 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 104' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -65.17 -12.26 49.22 Favored 'General case' 0 N--CA 1.483 1.199 0 N-CA-C 115.337 1.606 . . . . 10.0 115.337 174.973 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 105' ' ' GLY . . . . . . . . . . . . . . . -134.46 -55.6 0.07 OUTLIER Glycine 0 CA--C 1.531 1.091 0 C-N-CA 126.005 1.764 . . . . 10.0 113.847 -171.671 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 106' ' ' ALA . . . . . . . . . . . . . . . -67.18 92.64 0.27 Allowed 'General case' 0 CA--C 1.548 0.889 0 C-N-CA 125.253 1.421 . . . . 10.0 112.639 -175.748 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 107' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.252 1.236 0 C-N-CA 127.682 2.393 . . . . 10.0 111.255 176.034 . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A ' 1' ' ' ARG . . . . . . . . . . . . . 73.7 mtt85 . . . . . 0 N--CA 1.49 1.566 0 N-CA-C 110.372 -0.233 . . . . 10.0 110.372 . . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A ' 2' ' ' VAL . . . . . . . . . . . . . 59.8 t -67.27 129.67 32.01 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.053 0 C-N-CA 124.345 1.058 . . . . 10.0 109.937 173.078 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -141.72 94.77 2.72 Favored 'General case' 0 CA--C 1.542 0.636 0 C-N-CA 124.929 1.292 . . . . 10.0 110.792 178.744 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 38.9 mm-40 -118.77 -1.82 11.02 Favored 'General case' 0 N--CA 1.477 0.923 0 C-N-CA 125.277 1.431 . . . . 10.0 113.247 -176.077 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 5' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -126.5 60.1 1.34 Allowed 'General case' 0 CA--C 1.546 0.817 0 C-N-CA 126.22 1.808 . . . . 10.0 109.269 173.852 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 70.7 mtt180 -78.21 154.93 79.77 Favored Pre-proline 0 N--CA 1.477 0.92 0 C-N-CA 126.758 2.023 . . . . 10.0 110.939 -179.555 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 7' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_exo -51.38 121.11 7.86 Favored 'Trans proline' 0 CA--C 1.541 0.832 0 C-N-CA 122.4 2.067 . . . . 10.0 110.215 169.092 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . 111.92 -16.83 25.37 Favored Glycine 0 CA--C 1.539 1.533 0 C-N-CA 126.464 1.983 . . . . 10.0 114.178 -169.708 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -59.8 134.0 56.62 Favored 'General case' 0 CA--C 1.543 0.701 0 CA-C-N 119.739 1.77 . . . . 10.0 113.492 -172.37 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 10' ' ' PHE . . . . . . . . . . . . . 14.2 m-30 -58.79 144.68 43.24 Favored 'General case' 0 CA--C 1.539 0.556 0 C-N-CA 125.279 1.431 . . . . 10.0 112.506 172.464 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 50.0 mt -123.39 111.42 29.33 Favored 'Isoleucine or valine' 0 C--O 1.237 0.424 0 N-CA-C 106.859 -1.534 . . . . 10.0 106.859 169.445 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 81.4 mttt -104.92 84.97 2.21 Favored 'General case' 0 N--CA 1.471 0.625 0 C-N-CA 125.713 1.605 . . . . 10.0 109.501 178.947 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 36.0 mt-30 -75.04 -40.13 60.58 Favored 'General case' 0 CA--C 1.539 0.532 0 C-N-CA 124.736 1.215 . . . . 10.0 110.365 171.642 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . 101.16 65.73 0.79 Allowed Glycine 0 CA--C 1.528 0.862 0 C-N-CA 125.917 1.723 . . . . 10.0 110.675 -179.578 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 19.9 ttp85 -133.51 111.94 11.11 Favored 'General case' 0 N--CA 1.469 0.504 0 C-N-CA 126.637 1.975 . . . . 10.0 110.533 -169.738 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 80.4 tttt -73.11 104.31 4.14 Favored 'General case' 0 N--CA 1.473 0.687 0 C-N-CA 125.849 1.659 . . . . 10.0 110.752 179.865 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 79.2 mt -77.35 177.27 8.08 Favored 'General case' 0 CA--C 1.546 0.81 0 C-N-CA 125.208 1.403 . . . . 10.0 112.3 179.676 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 19.2 t0 -128.18 100.12 5.72 Favored 'General case' 0 CA--C 1.541 0.634 0 C-N-CA 125.855 1.662 . . . . 10.0 110.241 176.049 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . 87.3 mt -137.27 129.71 42.94 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.709 0 C-N-CA 126.968 2.107 . . . . 10.0 108.346 -173.357 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 24.3 t0 -89.46 83.67 6.37 Favored 'General case' 0 CA--C 1.54 0.571 0 CA-C-O 122.001 0.905 . . . . 10.0 111.017 172.952 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 21' ' ' PHE . . . . . . . . . . . . . 81.6 m-85 -62.96 -45.36 92.81 Favored 'General case' 0 CA--C 1.539 0.549 0 C-N-CA 126.996 2.118 . . . . 10.0 111.466 169.901 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 137.05 157.34 7.61 Favored Glycine 0 CA--C 1.534 1.249 0 C-N-CA 128.24 2.829 . . . . 10.0 110.008 -169.629 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -41.03 -54.03 2.88 Favored 'General case' 0 CA--C 1.547 0.832 0 N-CA-C 116.3 1.963 . . . . 10.0 116.3 -169.531 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 5.3 tp10 -69.35 -47.98 62.72 Favored 'General case' 0 CA--C 1.544 0.72 0 C-N-CA 124.125 0.97 . . . . 10.0 112.282 179.299 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -62.16 -38.22 95.81 Favored Glycine 0 CA--C 1.534 1.252 0 C-N-CA 124.722 1.154 . . . . 10.0 113.852 178.209 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 79.5 m-20 -56.43 -52.49 64.48 Favored 'General case' 0 CA--C 1.534 0.338 0 C-N-CA 126.096 1.758 . . . . 10.0 110.181 173.027 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 75.7 mtt85 -59.24 -47.27 85.99 Favored 'General case' 0 N--CA 1.476 0.837 0 C-N-CA 124.512 1.125 . . . . 10.0 111.485 176.415 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 28' ' ' TYR . . . . . . . . . . . . . 77.0 t80 -58.55 -53.38 58.94 Favored 'General case' 0 CA--C 1.537 0.468 0 C-N-CA 124.349 1.06 . . . . 10.0 112.508 179.018 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 29' ' ' TYR . . . . . . . . . . . . . 82.7 t80 -57.28 -52.27 66.02 Favored 'General case' 0 CA--C 1.537 0.45 0 C-N-CA 123.764 0.826 . . . . 10.0 111.848 174.293 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -52.77 -37.25 59.31 Favored 'General case' 0 CA--C 1.545 0.774 0 N-CA-C 113.557 0.947 . . . . 10.0 113.557 179.328 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -80.16 -31.13 38.94 Favored 'General case' 0 CA--C 1.55 0.968 0 N-CA-C 114.962 1.468 . . . . 10.0 114.962 175.111 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 32' ' ' ASN . . . . . . . . . . . . . 48.7 m-80 -125.42 16.61 8.27 Favored 'General case' 0 CA--C 1.548 0.896 0 N-CA-C 116.488 2.032 . . . . 10.0 116.488 -169.059 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 33' ' ' TYR . . . . . . . . . . . . . 51.6 p90 -50.36 -32.12 16.53 Favored 'General case' 0 N--CA 1.476 0.856 0 C-N-CA 126.093 1.757 . . . . 10.0 114.639 -176.444 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 34' ' ' TRP . . . . . . . . . . . . . 65.7 p-90 -51.51 -33.97 33.97 Favored 'General case' 0 CA--C 1.545 0.768 0 C-N-CA 126.375 1.87 . . . . 10.0 114.219 174.844 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 31.6 mt-30 -65.62 -45.26 83.77 Favored 'General case' 0 N--CA 1.472 0.645 0 C-N-CA 124.45 1.1 . . . . 10.0 112.645 175.793 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 36' ' ' PHE . . . . . . . . . . . . . 56.0 m-85 -72.77 153.91 91.27 Favored Pre-proline 0 CA--C 1.544 0.718 0 C-N-CA 126.775 2.03 . . . . 10.0 112.922 -171.868 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 93.9 Cg_endo -72.37 157.49 53.18 Favored 'Trans proline' 0 CA--C 1.541 0.87 0 C-N-CA 122.209 1.939 . . . . 10.0 109.107 168.485 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 3.8 p30 -118.16 -25.43 6.65 Favored 'General case' 0 N--CA 1.474 0.757 0 O-C-N 121.199 -0.938 . . . . 10.0 111.911 171.016 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . -119.42 160.28 14.41 Favored Glycine 0 CA--C 1.536 1.389 0 C-N-CA 125.633 1.587 . . . . 10.0 110.096 168.42 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 40' ' ' ILE . . . . . . . . . . . . . 91.1 mt -134.75 122.98 40.32 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.756 0 C-N-CA 124.356 1.062 . . . . 10.0 108.512 172.76 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 41' ' ' TYR . . . . . . . . . . . . . 91.5 t80 -73.83 102.01 3.92 Favored 'General case' 0 CA--C 1.536 0.424 0 C-N-CA 124.975 1.31 . . . . 10.0 109.913 174.111 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 42' ' ' TYR . . . . . . . . . . . . . 85.7 t80 -153.18 137.74 16.83 Favored 'General case' 0 CA--C 1.538 0.494 0 C-N-CA 124.085 0.954 . . . . 10.0 111.056 177.688 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 46.1 mt-10 -132.53 64.17 1.61 Allowed 'General case' 0 N--CA 1.474 0.759 0 C-N-CA 125.397 1.479 . . . . 10.0 110.944 -173.528 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . -67.2 -52.33 32.64 Favored Glycine 0 CA--C 1.533 1.172 0 C-N-CA 125.157 1.36 . . . . 10.0 113.934 -178.558 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 45' ' ' CYS . . . . . . . . . . . . . 28.5 m -60.54 135.67 57.82 Favored 'General case' 0 CA--C 1.541 0.597 0 C-N-CA 125.323 1.449 . . . . 10.0 114.015 -175.139 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 25.8 t -148.02 -51.4 0.18 Allowed 'General case' 0 N--CA 1.472 0.629 0 C-N-CA 126.557 1.943 . . . . 10.0 110.961 178.291 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 10.5 pt-20 -139.6 163.04 33.62 Favored 'General case' 0 CA--C 1.542 0.637 0 C-N-CA 126.425 1.89 . . . . 10.0 111.971 179.032 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -51.38 -28.46 12.64 Favored 'General case' 0 CA--C 1.547 0.832 0 C-N-CA 126.498 1.919 . . . . 10.0 115.813 -174.237 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 69.8 m-80 -60.14 -28.52 67.95 Favored 'General case' 0 CA--C 1.545 0.785 0 C-N-CA 124.599 1.16 . . . . 10.0 113.281 173.896 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . 46.4 t -78.14 91.96 1.29 Allowed 'Isoleucine or valine' 0 N--CA 1.472 0.638 0 C-N-CA 124.521 1.128 . . . . 10.0 108.863 169.811 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 67.8 p -78.63 -179.99 6.78 Favored 'General case' 0 N--CA 1.476 0.838 0 C-N-CA 125.593 1.557 . . . . 10.0 112.064 175.293 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 86.0 tttt -59.95 -55.79 29.73 Favored 'General case' 0 N--CA 1.473 0.676 0 O-C-N 121.122 -0.986 . . . . 10.0 111.733 169.982 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 12.3 pt-20 -53.38 -38.88 63.78 Favored 'General case' 0 N--CA 1.474 0.768 0 CA-C-N 118.72 0.691 . . . . 10.0 112.705 178.868 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 54' ' ' MET . . . . . . . . . . . . . 85.3 mmm -59.23 -58.01 10.5 Favored 'General case' 0 CA--C 1.538 0.484 0 C-N-CA 124.099 0.96 . . . . 10.0 111.573 169.506 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 6.9 tt -54.48 -56.7 16.07 Favored 'General case' 0 CA--C 1.536 0.441 0 C-N-CA 124.499 1.12 . . . . 10.0 113.049 -178.955 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 22.5 t -60.21 -51.0 78.0 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.902 0 C-N-CA 123.743 0.817 . . . . 10.0 110.555 -173.911 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 57' ' ' THR . . . . . . . . . . . . . 28.5 m -60.85 -51.72 68.1 Favored 'General case' 0 N--CA 1.475 0.816 0 C-N-CA 124.346 1.058 . . . . 10.0 111.791 179.205 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 8.3 t -61.16 -40.78 95.16 Favored 'General case' 0 N--CA 1.47 0.53 0 C-N-CA 123.672 0.789 . . . . 10.0 112.23 178.638 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 59' ' ' CYS . . . . . . . . . . . . . 21.1 t -55.73 -53.6 54.63 Favored 'General case' 0 CA--C 1.534 0.337 0 C-N-CA 124.615 1.166 . . . . 10.0 112.85 169.955 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 60' ' ' VAL . . . . . . . . . . . . . 39.6 t -55.94 -39.72 58.84 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.852 0 C-N-CA 124.394 1.078 . . . . 10.0 111.811 177.266 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 61' ' ' ASN . . . . . . . . . . . . . 17.4 m-80 -63.85 -49.42 72.85 Favored 'General case' 0 CA--C 1.545 0.771 0 C-N-CA 124.766 1.226 . . . . 10.0 113.096 170.479 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -60.08 -42.37 94.43 Favored 'General case' 0 CA--C 1.543 0.689 0 C-N-CA 124.927 1.291 . . . . 10.0 112.106 178.039 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 63' ' ' THR . . . . . . . . . . . . . 61.3 m -54.86 -48.53 72.79 Favored 'General case' 0 N--CA 1.471 0.594 0 C-N-CA 126.349 1.86 . . . . 10.0 111.732 176.176 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 64' ' ' GLN . . . . . . . . . . . . . 48.8 mt-30 -51.43 -56.57 12.53 Favored 'General case' 0 N--CA 1.47 0.57 0 C-N-CA 124.278 1.031 . . . . 10.0 111.728 173.089 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -58.03 -42.31 85.02 Favored 'General case' 0 CA--C 1.545 0.775 0 C-N-CA 125.785 1.634 . . . . 10.0 113.994 -179.961 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -72.2 -36.79 69.3 Favored 'General case' 0 CA--C 1.545 0.767 0 N-CA-C 114.178 1.177 . . . . 10.0 114.178 -179.654 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 67' ' ' ASN . . . . . . . . . . . . . 8.5 m-80 -117.92 39.07 3.46 Favored 'General case' 0 N--CA 1.475 0.814 0 C-N-CA 124.324 1.05 . . . . 10.0 112.607 -170.689 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 68' ' ' GLN . . . . . . . . . . . . . 63.5 mt-30 -51.52 -46.53 63.3 Favored 'General case' 0 N--CA 1.474 0.775 0 C-N-CA 125.803 1.641 . . . . 10.0 113.141 -177.705 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -54.56 -52.13 63.07 Favored 'General case' 0 CA--C 1.541 0.618 0 C-N-CA 125.036 1.334 . . . . 10.0 112.636 177.996 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 9.9 mm-40 -56.65 -48.41 77.63 Favored 'General case' 0 N--CA 1.472 0.653 0 C-N-CA 124.714 1.206 . . . . 10.0 112.433 -179.837 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 71' ' ' PHE . . . . . . . . . . . . . 34.2 m-85 -61.45 -49.59 76.21 Favored 'General case' 0 CA--C 1.537 0.446 0 C-N-CA 122.898 0.479 . . . . 10.0 112.019 174.247 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 58.9 m -55.36 -47.66 75.42 Favored 'General case' 0 N--CA 1.475 0.797 0 C-N-CA 124.927 1.291 . . . . 10.0 113.213 178.463 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 73' ' ' ARG . . . . . . . . . . . . . 90.7 mtt180 -51.45 -51.86 51.27 Favored 'General case' 0 N--CA 1.477 0.884 0 C-N-CA 126.293 1.837 . . . . 10.0 112.314 176.106 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 46.6 mm-40 -81.04 -62.03 1.78 Allowed 'General case' 0 CA--C 1.54 0.579 0 C-N-CA 124.674 1.19 . . . . 10.0 113.159 -175.2 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 41.4 ttmt -46.35 -40.27 11.64 Favored 'General case' 0 N--CA 1.481 1.079 0 C-N-CA 128.19 2.596 . . . . 10.0 114.96 -170.906 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 76' ' ' GLN . . . . . . . . . . . . . 22.0 mm100 -60.44 -19.36 56.11 Favored 'General case' 0 CA--C 1.546 0.811 0 C-N-CA 124.906 1.282 . . . . 10.0 114.422 179.905 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 31.7 t70 -128.62 -48.31 1.27 Allowed 'General case' 0 N--CA 1.473 0.696 0 C-N-CA 125.683 1.593 . . . . 10.0 112.829 178.752 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 4.4 t -66.6 129.95 41.57 Favored 'General case' 0 CA--C 1.536 0.414 0 C-N-CA 125.719 1.608 . . . . 10.0 113.673 -175.089 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 60.3 tptt -88.65 -62.38 1.5 Allowed 'General case' 0 N--CA 1.474 0.748 0 C-N-CA 125.4 1.48 . . . . 10.0 111.739 173.66 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 49.2 tp -70.84 -44.61 66.11 Favored 'General case' 0 N--CA 1.469 0.496 0 C-N-CA 124.977 1.311 . . . . 10.0 113.404 -174.094 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 81' ' ' HIS . . . . . . . . . . . . . 14.1 t-160 -51.0 -50.62 58.11 Favored 'General case' 0 N--CA 1.475 0.81 0 CA-C-N 119.201 0.909 . . . . 10.0 112.323 -170.604 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 82' ' ' GLN . . . . . . . . . . . . . 92.2 mm-40 -52.61 -48.56 66.24 Favored 'General case' 0 N--CA 1.471 0.6 0 C-N-CA 123.895 0.878 . . . . 10.0 112.85 177.977 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 83' ' ' ARG . . . . . . . . . . . . . 14.2 mmp_? -51.97 -54.73 26.2 Favored 'General case' 0 N--CA 1.481 1.081 0 C-N-CA 124.796 1.238 . . . . 10.0 111.357 178.507 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 84' ' ' VAL . . . . . . . . . . . . . 21.4 t -62.31 -51.44 72.27 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.684 0 C-N-CA 126.482 1.913 . . . . 10.0 110.82 178.345 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 85' ' ' LEU . . . . . . . . . . . . . 50.4 tp -56.82 -46.72 81.48 Favored 'General case' 0 N--CA 1.468 0.463 0 C-N-CA 126.869 2.068 . . . . 10.0 112.919 -179.231 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 86' ' ' TRP . . . . . . . . . . . . . 73.2 m95 -64.93 -43.0 94.21 Favored 'General case' 0 N--CA 1.466 0.337 0 N-CA-C 113.48 0.918 . . . . 10.0 113.48 175.824 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 87' ' ' ARG . . . . . . . . . . . . . 13.6 tpt180 -55.99 -51.97 65.87 Favored 'General case' 0 N--CA 1.474 0.733 0 CA-C-O 118.663 -0.684 . . . . 10.0 110.99 169.832 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 88' ' ' LEU . . . . . . . . . . . . . 1.7 tm? -51.5 -54.49 26.61 Favored 'General case' 0 CA--C 1.544 0.74 0 C-N-CA 126.476 1.911 . . . . 10.0 112.143 175.125 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 89' ' ' ILE . . . . . . . . . . . . . 64.2 mt -53.89 -52.22 37.72 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.841 0 C-N-CA 124.71 1.204 . . . . 10.0 111.16 176.693 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 39.9 ttmt -60.89 -44.45 97.1 Favored 'General case' 0 N--CA 1.469 0.522 0 C-N-CA 123.865 0.866 . . . . 10.0 112.411 177.382 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 8.1 tp10 -54.17 -50.37 67.15 Favored 'General case' 0 CA--C 1.541 0.62 0 C-N-CA 125.269 1.428 . . . . 10.0 111.576 175.112 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 92' ' ' ILE . . . . . . . . . . . . . 96.7 mt -53.35 -58.22 3.5 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.905 0 C-N-CA 124.145 0.978 . . . . 10.0 110.904 171.604 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 93' ' ' CYS . . . . . . . . . . . . 0.307 0.5 OUTLIER -69.39 -28.11 65.89 Favored 'General case' 0 CA--C 1.546 0.823 0 N-CA-C 114.109 1.152 . . . . 10.0 114.109 -172.72 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 23.8 t -68.13 -40.94 82.34 Favored 'General case' 0 N--CA 1.474 0.73 0 C-N-CA 125.897 1.679 . . . . 10.0 112.405 169.368 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . -60.09 -51.36 69.94 Favored 'General case' 0 CA--C 1.542 0.645 0 C-N-CA 124.483 1.113 . . . . 10.0 113.037 179.705 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 96' ' ' LYS . . . . . . . . . . . . . 18.9 ptpt -58.58 137.91 57.18 Favored 'General case' 0 N--CA 1.48 1.052 0 O-C-N 121.449 -0.782 . . . . 10.0 112.64 177.025 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 97' ' ' HIS . . . . . . . . . . . . . 17.7 m80 -130.98 166.65 20.51 Favored 'General case' 0 N--CA 1.478 0.954 0 C-N-CA 126.775 2.03 . . . . 10.0 112.266 -177.566 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 98' ' ' CYS . . . . . . . . . . . . . 50.6 m -126.7 134.25 50.73 Favored 'General case' 0 CA--C 1.539 0.533 0 C-N-CA 125.662 1.585 . . . . 10.0 111.678 -178.016 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 99' ' ' ASP . . . . . . . . . . . . . 11.9 m-20 -57.05 -40.19 76.33 Favored 'General case' 0 N--CA 1.472 0.673 0 C-N-CA 125.524 1.53 . . . . 10.0 113.836 -172.015 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 100' ' ' PHE . . . . . . . . . . . . . 9.7 p90 -72.0 -4.73 30.31 Favored 'General case' 0 CA--C 1.545 0.761 0 N-CA-C 115.038 1.496 . . . . 10.0 115.038 -178.041 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 101' ' ' TRP . . . . . . . . . . . . . 53.2 m0 -67.32 84.31 0.15 Allowed 'General case' 0 N--CA 1.475 0.789 0 CA-C-N 120.183 1.356 . . . . 10.0 112.308 175.538 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 102' ' ' LEU . . . . . 0.429 ' H ' HD23 ' A' ' 102' ' ' LEU . 2.6 pt? -64.76 157.51 27.33 Favored 'General case' 0 CA--C 1.543 0.688 0 C-N-CA 127.763 2.425 . . . . 10.0 113.618 174.89 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 13.1 pt-20 -73.05 -34.84 66.54 Favored 'General case' 0 N--CA 1.473 0.712 0 C-N-CA 124.514 1.126 . . . . 10.0 114.028 179.496 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 104' ' ' ARG . . . . . . . . . . . . . 76.0 mtm180 -71.39 151.56 43.96 Favored 'General case' 0 N--CA 1.476 0.868 0 C-N-CA 124.834 1.254 . . . . 10.0 112.835 -175.777 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 105' ' ' GLY . . . . . . . . . . . . . . . -176.35 -116.47 0.46 Allowed Glycine 0 CA--C 1.533 1.172 0 C-N-CA 125.388 1.471 . . . . 10.0 111.966 179.779 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 106' ' ' ALA . . . . . . . . . . . . . . . -142.46 159.22 42.66 Favored 'General case' 0 CA--C 1.546 0.817 0 C-N-CA 125.665 1.586 . . . . 10.0 112.179 178.346 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 107' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.253 1.264 0 C-N-CA 126.768 2.027 . . . . 10.0 111.858 -179.679 . . . . . . . . 0 0 . 1 . 011 nuclear build full ' A' A ' 1' ' ' ARG . . . . . . . . . . . . . 53.4 ttt85 . . . . . 0 N--CA 1.49 1.537 0 CA-C-O 119.187 -0.435 . . . . 10.0 111.358 . . . . . . . . . 0 0 . 1 . 011 nuclear build full ' A' A ' 2' ' ' VAL . . . . . . . . . . . . . 57.0 t -64.69 141.53 18.1 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.134 0 C-N-CA 125.231 1.413 . . . . 10.0 110.827 -179.048 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -67.54 168.97 10.0 Favored 'General case' 0 CA--C 1.548 0.893 0 C-N-CA 124.942 1.297 . . . . 10.0 113.823 -178.334 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 90.0 mt-10 -64.58 124.06 20.9 Favored 'General case' 0 N--CA 1.471 0.585 0 C-N-CA 124.152 0.981 . . . . 10.0 108.885 169.768 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 5' ' ' ASN . . . . . . . . . . . . . 1.3 t30 -74.26 76.36 1.83 Allowed 'General case' 0 CA--C 1.55 0.972 0 C-N-CA 123.58 0.752 . . . . 10.0 112.593 -172.034 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 9.6 ptp180 -121.91 151.64 58.22 Favored Pre-proline 0 N--CA 1.478 0.933 0 C-N-CA 127.921 2.488 . . . . 10.0 110.77 172.772 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 7' ' ' PRO . . . . . . . . . . . . . 80.8 Cg_exo -47.4 114.53 1.05 Allowed 'Trans proline' 0 CA--C 1.541 0.85 0 C-N-CA 123.761 2.974 . . . . 10.0 113.868 -175.066 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . 114.6 -18.64 17.23 Favored Glycine 0 CA--C 1.539 1.537 0 C-N-CA 127.132 2.301 . . . . 10.0 114.42 -171.957 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -57.34 132.87 54.38 Favored 'General case' 0 CA--C 1.543 0.674 0 N-CA-C 115.495 1.665 . . . . 10.0 115.495 -169.603 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 10' ' ' PHE . . . . . . . . . . . . . 7.4 m-30 -58.38 134.19 56.4 Favored 'General case' 0 CA--C 1.541 0.615 0 C-N-CA 126.246 1.819 . . . . 10.0 112.489 170.216 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 61.7 mt -116.06 99.07 7.64 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.508 0 N-CA-C 106.741 -1.577 . . . . 10.0 106.741 169.618 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 53.8 mtmt -101.77 73.52 1.43 Allowed 'General case' 0 N--CA 1.472 0.652 0 C-N-CA 126.857 2.063 . . . . 10.0 110.074 -176.413 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 86.6 mm-40 -71.39 -45.32 63.08 Favored 'General case' 0 CA--C 1.54 0.559 0 C-N-CA 124.081 0.953 . . . . 10.0 110.395 170.643 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . 105.51 70.12 0.77 Allowed Glycine 0 CA--C 1.53 0.978 0 C-N-CA 126.024 1.773 . . . . 10.0 111.309 178.759 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 10.3 ttp180 -137.03 117.96 14.22 Favored 'General case' 0 N--CA 1.472 0.665 0 C-N-CA 126.97 2.108 . . . . 10.0 110.436 -169.819 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 44.8 tttm -69.66 139.53 53.53 Favored 'General case' 0 N--CA 1.474 0.731 0 C-N-CA 124.439 1.096 . . . . 10.0 111.769 179.609 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 61.2 mt -111.96 -179.74 3.77 Favored 'General case' 0 CA--C 1.546 0.798 0 C-N-CA 127.769 2.428 . . . . 10.0 111.651 174.506 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 20.9 t70 -126.13 99.61 5.97 Favored 'General case' 0 CA--C 1.542 0.646 0 C-N-CA 125.533 1.533 . . . . 10.0 110.569 175.065 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . 69.5 mt -136.3 130.86 48.15 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.727 0 C-N-CA 127.415 2.286 . . . . 10.0 108.143 -175.731 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 23.9 t0 -89.83 85.02 6.29 Favored 'General case' 0 N--CA 1.47 0.535 0 CA-C-O 122.075 0.94 . . . . 10.0 110.921 172.305 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 21' ' ' PHE . . . . . . . . . . . . . 82.8 m-85 -63.81 -44.36 93.53 Favored 'General case' 0 CA--C 1.54 0.561 0 C-N-CA 126.935 2.094 . . . . 10.0 111.73 170.335 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 133.52 160.46 9.4 Favored Glycine 0 CA--C 1.533 1.202 0 C-N-CA 127.989 2.709 . . . . 10.0 109.963 -169.517 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -42.15 -56.31 2.92 Favored 'General case' 0 CA--C 1.547 0.83 0 N-CA-C 115.432 1.642 . . . . 10.0 115.432 -169.727 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 26.0 mm-40 -63.89 -49.56 72.21 Favored 'General case' 0 N--CA 1.472 0.664 0 C-N-CA 124.185 0.994 . . . . 10.0 112.132 178.811 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -64.67 -38.04 95.15 Favored Glycine 0 CA--C 1.533 1.159 0 C-N-CA 124.621 1.105 . . . . 10.0 114.143 -178.967 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 84.2 m-20 -57.27 -53.72 54.93 Favored 'General case' 0 CA--C 1.533 0.32 0 C-N-CA 126.048 1.739 . . . . 10.0 110.145 173.86 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 94.2 mtt-85 -58.32 -47.68 82.94 Favored 'General case' 0 N--CA 1.474 0.745 0 C-N-CA 124.949 1.3 . . . . 10.0 111.458 175.861 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 28' ' ' TYR . . . . . . . . . . . . . 78.1 t80 -58.47 -54.63 44.83 Favored 'General case' 0 CA--C 1.536 0.44 0 C-N-CA 124.364 1.066 . . . . 10.0 112.363 178.89 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 29' ' ' TYR . . . . . . . . . . . . . 86.7 t80 -57.26 -50.63 72.28 Favored 'General case' 0 CA--C 1.538 0.489 0 C-N-CA 124.3 1.04 . . . . 10.0 112.221 176.047 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -52.07 -38.77 58.28 Favored 'General case' 0 CA--C 1.546 0.801 0 N-CA-C 113.461 0.911 . . . . 10.0 113.461 177.238 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -81.76 -25.78 35.03 Favored 'General case' 0 CA--C 1.55 0.949 0 N-CA-C 115.063 1.505 . . . . 10.0 115.063 176.107 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 32' ' ' ASN . . . . . . . . . . . . . 57.7 m-80 -126.65 11.47 7.3 Favored 'General case' 0 CA--C 1.548 0.866 0 N-CA-C 116.8 2.148 . . . . 10.0 116.8 -169.081 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 33' ' ' TYR . . . . . . . . . . . . . 41.6 p90 -51.04 -29.06 11.65 Favored 'General case' 0 N--CA 1.478 0.956 0 C-N-CA 125.285 1.434 . . . . 10.0 114.724 -177.62 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 34' ' ' TRP . . . . . . . . . . . . . 64.1 p-90 -52.37 -29.8 25.77 Favored 'General case' 0 CA--C 1.544 0.722 0 C-N-CA 126.109 1.763 . . . . 10.0 114.477 173.4 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 30.7 mt-30 -74.12 -39.78 63.12 Favored 'General case' 0 N--CA 1.473 0.695 0 C-N-CA 124.646 1.179 . . . . 10.0 113.351 174.681 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 36' ' ' PHE . . . . . . . . . . . . . 58.2 m-85 -70.83 149.66 95.11 Favored Pre-proline 0 CA--C 1.545 0.766 0 C-N-CA 125.687 1.595 . . . . 10.0 113.615 -169.552 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 84.2 Cg_endo -73.51 100.18 1.22 Allowed 'Trans proline' 0 CA--C 1.535 0.556 0 C-N-CA 123.772 2.981 . . . . 10.0 110.35 170.233 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 4.5 p30 -68.41 -20.02 64.63 Favored 'General case' 0 CA--C 1.545 0.778 0 O-C-N 121.02 -1.05 . . . . 10.0 112.955 177.391 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . -129.71 161.02 22.89 Favored Glycine 0 CA--C 1.535 1.302 0 C-N-CA 125.945 1.736 . . . . 10.0 110.764 169.045 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 40' ' ' ILE . . . . . . . . . . . . . 79.3 mt -136.95 122.72 27.13 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.8 0 C-N-CA 124.139 0.976 . . . . 10.0 109.333 174.328 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 41' ' ' TYR . . . . . . . . . . . . . 82.6 t80 -72.82 100.43 2.88 Favored 'General case' 0 CA--C 1.537 0.471 0 C-N-CA 124.365 1.066 . . . . 10.0 110.129 172.242 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 42' ' ' TYR . . . . . . . . . . . . . 83.2 t80 -156.29 136.59 12.99 Favored 'General case' 0 N--CA 1.467 0.406 0 C-N-CA 124.481 1.112 . . . . 10.0 110.888 172.84 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 43.9 mt-10 -134.5 77.91 1.72 Allowed 'General case' 0 CA--C 1.54 0.581 0 C-N-CA 126.095 1.758 . . . . 10.0 110.302 -175.497 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . -72.44 -28.59 67.45 Favored Glycine 0 CA--C 1.536 1.375 0 C-N-CA 124.902 1.239 . . . . 10.0 114.772 -176.592 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 45' ' ' CYS . . . . . . . . . . . . . 63.2 m -53.45 116.37 2.42 Favored 'General case' 0 CA--C 1.543 0.692 0 C-N-CA 126.437 1.895 . . . . 10.0 113.39 -175.015 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 51.4 m -132.26 -61.9 0.85 Allowed 'General case' 0 N--CA 1.475 0.781 0 C-N-CA 125.801 1.64 . . . . 10.0 111.788 -179.418 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 10.6 pt-20 -152.6 164.77 37.02 Favored 'General case' 0 N--CA 1.473 0.689 0 C-N-CA 126.328 1.851 . . . . 10.0 111.462 -179.36 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -51.66 -29.96 19.96 Favored 'General case' 0 CA--C 1.547 0.856 0 N-CA-C 115.67 1.73 . . . . 10.0 115.67 -175.781 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 70.6 m-20 -59.21 -30.74 68.45 Favored 'General case' 0 CA--C 1.546 0.795 0 C-N-CA 124.398 1.079 . . . . 10.0 113.059 173.594 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . 61.1 t -75.91 91.6 0.87 Allowed 'Isoleucine or valine' 0 N--CA 1.472 0.653 0 N-CA-C 107.886 -1.153 . . . . 10.0 107.886 169.423 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 69.4 p -72.29 177.86 4.27 Favored 'General case' 0 N--CA 1.474 0.756 0 C-N-CA 125.087 1.355 . . . . 10.0 111.956 173.897 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 60.4 tttm -59.29 -52.98 63.32 Favored 'General case' 0 N--CA 1.472 0.665 0 O-C-N 121.161 -0.962 . . . . 10.0 111.15 169.568 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 45.0 mt-10 -51.24 -47.11 62.48 Favored 'General case' 0 N--CA 1.474 0.771 0 C-N-CA 124.117 0.967 . . . . 10.0 112.258 176.677 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 54' ' ' MET . . . . . . . . . . . . . 87.4 mmm -54.97 -55.02 35.37 Favored 'General case' 0 N--CA 1.468 0.431 0 C-N-CA 124.239 1.015 . . . . 10.0 112.391 170.522 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 8.6 tt -58.92 -51.55 69.58 Favored 'General case' 0 CA--C 1.534 0.346 0 C-N-CA 123.73 0.812 . . . . 10.0 112.913 -178.202 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 21.8 t -57.71 -48.31 83.76 Favored 'Isoleucine or valine' 0 N--CA 1.479 0.994 0 CA-C-N 119.62 1.1 . . . . 10.0 110.897 -179.486 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 57' ' ' THR . . . . . . . . . . . . . 56.7 m -57.93 -51.23 70.49 Favored 'General case' 0 N--CA 1.476 0.855 0 C-N-CA 124.38 1.072 . . . . 10.0 111.763 175.097 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 45.0 m -60.62 -40.79 93.2 Favored 'General case' 0 N--CA 1.472 0.673 0 C-N-CA 124.573 1.149 . . . . 10.0 112.421 178.612 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 59' ' ' CYS . . . . . . . . . . . . . 40.9 t -59.22 -50.43 74.06 Favored 'General case' 0 CA--C 1.534 0.359 0 C-N-CA 126.201 1.8 . . . . 10.0 112.362 173.501 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 60' ' ' VAL . . . . . . . . . . . . . 43.1 t -54.59 -48.25 71.13 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.966 0 C-N-CA 124.153 0.981 . . . . 10.0 111.523 172.224 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 61' ' ' ASN . . . . . . . . . . . . . 16.7 m-80 -58.98 -46.49 87.99 Favored 'General case' 0 CA--C 1.546 0.79 0 C-N-CA 124.652 1.181 . . . . 10.0 113.176 175.069 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -60.43 -47.01 87.97 Favored 'General case' 0 CA--C 1.539 0.526 0 C-N-CA 124.238 1.015 . . . . 10.0 111.26 174.84 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 63' ' ' THR . . . . . . . . . . . . . 38.4 m -55.56 -47.81 75.78 Favored 'General case' 0 N--CA 1.471 0.598 0 C-N-CA 125.676 1.59 . . . . 10.0 111.709 177.002 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 64' ' ' GLN . . . . . . . . . . . . . 62.9 mt-30 -49.84 -59.63 3.66 Favored 'General case' 0 N--CA 1.469 0.513 0 C-N-CA 124.362 1.065 . . . . 10.0 112.052 170.966 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -56.99 -45.79 82.7 Favored 'General case' 0 CA--C 1.544 0.75 0 C-N-CA 125.551 1.54 . . . . 10.0 113.787 -178.799 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -68.35 -35.67 78.09 Favored 'General case' 0 CA--C 1.544 0.722 0 C-N-CA 125.172 1.389 . . . . 10.0 114.257 -179.002 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 67' ' ' ASN . . . . . . . . . . . . . 12.8 m-80 -121.31 39.25 3.88 Favored 'General case' 0 N--CA 1.474 0.746 0 C-N-CA 124.26 1.024 . . . . 10.0 113.074 -169.715 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 68' ' ' GLN . . . . . . . . . . . . . 64.2 mt-30 -52.18 -50.42 61.88 Favored 'General case' 0 N--CA 1.473 0.716 0 C-N-CA 125.248 1.419 . . . . 10.0 112.624 -178.987 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -56.31 -43.32 78.85 Favored 'General case' 0 CA--C 1.544 0.738 0 C-N-CA 125.115 1.366 . . . . 10.0 113.362 178.316 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 23.0 mm-40 -57.34 -51.16 70.49 Favored 'General case' 0 N--CA 1.471 0.603 0 C-N-CA 125.361 1.465 . . . . 10.0 111.735 178.906 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 71' ' ' PHE . . . . . . . . . . . . . 34.5 m-85 -64.19 -49.76 70.76 Favored 'General case' 0 CA--C 1.536 0.436 0 C-N-CA 124.203 1.001 . . . . 10.0 112.219 174.448 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 71.6 m -52.84 -55.11 25.47 Favored 'General case' 0 N--CA 1.472 0.63 0 C-N-CA 125.306 1.442 . . . . 10.0 113.558 -173.413 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 73' ' ' ARG . . . . . . . . . . . . . 31.1 ptt-85 -59.52 -45.58 91.32 Favored 'General case' 0 N--CA 1.479 0.994 0 N-CA-C 113.369 0.877 . . . . 10.0 113.369 -177.135 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 33.8 mm-40 -61.09 -54.05 49.48 Favored 'General case' 0 N--CA 1.469 0.52 0 C-N-CA 124.959 1.304 . . . . 10.0 111.68 176.362 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 86.1 tttt -49.53 -28.72 5.83 Favored 'General case' 0 N--CA 1.477 0.9 0 C-N-CA 127.134 2.174 . . . . 10.0 115.053 -178.178 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 76' ' ' GLN . . . . . . . . . . . . . 70.8 mm-40 -56.44 -33.76 66.18 Favored 'General case' 0 N--CA 1.475 0.816 0 N-CA-C 113.783 1.031 . . . . 10.0 113.783 175.6 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 32.0 t70 -132.93 -40.92 0.93 Allowed 'General case' 0 N--CA 1.474 0.727 0 C-N-CA 125.439 1.495 . . . . 10.0 113.521 -171.439 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 4.9 t -64.25 151.12 44.47 Favored 'General case' 0 CA--C 1.536 0.42 0 C-N-CA 125.453 1.501 . . . . 10.0 113.569 -178.476 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 59.3 mtmt -120.73 -67.69 0.96 Allowed 'General case' 0 N--CA 1.474 0.76 0 C-N-CA 126.138 1.775 . . . . 10.0 110.564 171.209 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 48.5 tp -60.41 -45.37 93.84 Favored 'General case' 0 CA--C 1.537 0.474 0 C-N-CA 125.331 1.453 . . . . 10.0 113.308 -176.561 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 81' ' ' HIS . . . . . . . . . . . . . 14.7 t-160 -51.12 -50.73 58.26 Favored 'General case' 0 N--CA 1.474 0.771 0 CA-C-N 119.168 0.894 . . . . 10.0 111.662 -173.947 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 82' ' ' GLN . . . . . . . . . . . . . 17.9 mm100 -51.52 -50.5 59.87 Favored 'General case' 0 CA--C 1.539 0.545 0 C-N-CA 124.574 1.15 . . . . 10.0 112.609 179.066 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 83' ' ' ARG . . . . . . . . . . . . . 10.4 mpt_? -58.8 -53.87 53.54 Favored 'General case' 0 N--CA 1.48 1.038 0 C-N-CA 124.39 1.076 . . . . 10.0 111.699 179.71 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 84' ' ' VAL . . . . . . . . . . . . . 29.6 t -57.21 -49.78 78.71 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.876 0 C-N-CA 125.2 1.4 . . . . 10.0 110.649 176.981 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 85' ' ' LEU . . . . . . . . . . . . . 45.3 tp -56.75 -47.99 78.83 Favored 'General case' 0 CA--C 1.537 0.468 0 C-N-CA 126.481 1.912 . . . . 10.0 112.646 177.594 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 86' ' ' TRP . . . . . . . . . . . . . 52.5 m95 -61.31 -44.08 97.81 Favored 'General case' 0 N--CA 1.468 0.461 0 N-CA-C 113.787 1.032 . . . . 10.0 113.787 174.919 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 87' ' ' ARG . . . . . . . . . . . . . 14.6 tpt180 -57.18 -51.59 68.7 Favored 'General case' 0 N--CA 1.474 0.768 0 CA-C-N 118.764 0.711 . . . . 10.0 111.565 171.338 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 88' ' ' LEU . . . . . . . . . . . . . 2.3 tm? -51.7 -51.97 51.95 Favored 'General case' 0 CA--C 1.544 0.726 0 C-N-CA 126.299 1.84 . . . . 10.0 111.866 174.906 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 89' ' ' ILE . . . . . . . . . . . . . 65.6 mt -53.34 -53.82 21.68 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.738 0 C-N-CA 124.735 1.214 . . . . 10.0 110.936 172.907 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 36.6 ttpt -57.42 -45.91 84.08 Favored 'General case' 0 N--CA 1.473 0.678 0 C-N-CA 124.426 1.09 . . . . 10.0 113.225 179.762 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 66.8 mm-40 -52.28 -50.79 61.44 Favored 'General case' 0 N--CA 1.472 0.662 0 C-N-CA 124.277 1.031 . . . . 10.0 112.005 172.05 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 92' ' ' ILE . . . . . . . . . . . . . 98.2 mt -60.22 -50.2 81.15 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.96 0 C-N-CA 123.771 0.828 . . . . 10.0 111.71 174.634 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 93' ' ' CYS . . . . . . . . . . . . . 65.1 m -55.71 -39.05 70.53 Favored 'General case' 0 CA--C 1.545 0.762 0 C-N-CA 124.659 1.183 . . . . 10.0 112.603 176.544 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 66.3 m -66.7 -42.09 86.98 Favored 'General case' 0 N--CA 1.475 0.798 0 C-N-CA 125.903 1.681 . . . . 10.0 113.401 171.271 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . -61.27 -47.87 84.01 Favored 'General case' 0 CA--C 1.543 0.691 0 C-N-CA 125.55 1.54 . . . . 10.0 113.357 -176.28 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 96' ' ' LYS . . . . . . . . . . . . . 1.8 ptpm? -60.48 139.49 57.71 Favored 'General case' 0 N--CA 1.48 1.029 0 C-N-CA 123.876 0.87 . . . . 10.0 111.334 171.133 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 97' ' ' HIS . . . . . . . . . . . . . 1.9 m-70 -138.07 165.69 25.96 Favored 'General case' 0 N--CA 1.479 1.024 0 C-N-CA 126.314 1.846 . . . . 10.0 112.364 -172.484 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 98' ' ' CYS . . . . . . . . . . . . . 35.2 m -113.68 137.23 51.9 Favored 'General case' 0 N--CA 1.469 0.496 0 C-N-CA 125.236 1.415 . . . . 10.0 112.041 174.377 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 99' ' ' ASP . . . . . . . . . . . . . 32.5 t70 -61.04 -40.27 92.98 Favored 'General case' 0 CA--C 1.543 0.698 0 C-N-CA 124.999 1.319 . . . . 10.0 113.174 179.664 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 100' ' ' PHE . . . . . . . . . . . . . 8.8 p90 -68.9 -11.93 61.09 Favored 'General case' 0 CA--C 1.544 0.725 0 N-CA-C 115.396 1.628 . . . . 10.0 115.396 -176.418 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 101' ' ' TRP . . . . . . . . . . . . . 38.4 m0 -57.88 127.09 30.32 Favored 'General case' 0 N--CA 1.473 0.707 0 CA-C-N 119.881 1.219 . . . . 10.0 112.766 -178.482 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 102' ' ' LEU . . . . . . . . . . . . . 4.0 pp -146.28 -178.18 6.01 Favored 'General case' 0 CA--C 1.544 0.717 0 C-N-CA 127.231 2.212 . . . . 10.0 112.047 -169.797 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 9.4 tp10 -140.21 147.34 39.91 Favored 'General case' 0 CA--C 1.542 0.671 0 C-N-CA 125.531 1.533 . . . . 10.0 111.002 175.036 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 104' ' ' ARG . . . . . . . . . . . . . 99.9 mtt180 -61.0 -50.58 72.8 Favored 'General case' 0 N--CA 1.477 0.908 0 C-N-CA 125.923 1.689 . . . . 10.0 112.506 -179.282 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 105' ' ' GLY . . . . . . . . . . . . . . . -178.31 173.49 45.92 Favored Glycine 0 CA--C 1.535 1.313 0 C-N-CA 125.814 1.673 . . . . 10.0 112.983 179.499 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 106' ' ' ALA . . . . . . . . . . . . . . . -145.0 155.69 43.52 Favored 'General case' 0 CA--C 1.545 0.777 0 C-N-CA 125.675 1.59 . . . . 10.0 111.916 179.928 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 107' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.254 1.299 0 C-N-CA 126.446 1.898 . . . . 10.0 112.108 179.426 . . . . . . . . 0 0 . 1 . 012 nuclear build full ' A' A ' 1' ' ' ARG . . . . . . . . . . . . . 43.0 ttp85 . . . . . 0 N--CA 1.489 1.522 0 N-CA-C 110.369 -0.234 . . . . 10.0 110.369 . . . . . . . . . 0 0 . 1 . 012 nuclear build full ' A' A ' 2' ' ' VAL . . . . . . . . . . . . . 7.2 p -53.21 135.99 14.74 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.067 0 C-N-CA 125.198 1.399 . . . . 10.0 112.819 175.107 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -78.28 106.64 10.33 Favored 'General case' 0 CA--C 1.545 0.758 0 C-N-CA 124.203 1.001 . . . . 10.0 110.449 170.027 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 46.7 mt-10 -96.56 -51.16 4.43 Favored 'General case' 0 N--CA 1.475 0.781 0 C-N-CA 125.35 1.46 . . . . 10.0 110.29 175.269 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 5' ' ' ASN . . . . . . . . . . . . . 17.3 t-20 -78.21 80.02 4.64 Favored 'General case' 0 CA--C 1.545 0.787 0 C-N-CA 124.916 1.286 . . . . 10.0 109.545 169.604 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -125.22 159.62 58.77 Favored Pre-proline 0 N--CA 1.477 0.919 0 C-N-CA 127.52 2.328 . . . . 10.0 111.805 178.97 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 7' ' ' PRO . . . . . . . . . . . . . 75.8 Cg_exo -45.01 120.87 3.18 Favored 'Trans proline' 0 CA--C 1.537 0.67 0 C-N-CA 124.015 3.143 . . . . 10.0 113.522 179.162 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . 116.97 -23.49 9.95 Favored Glycine 0 CA--C 1.538 1.512 0 C-N-CA 127.623 2.535 . . . . 10.0 114.122 -170.395 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -60.09 132.59 54.42 Favored 'General case' 0 CA--C 1.546 0.818 0 CA-C-N 119.473 1.637 . . . . 10.0 112.96 -172.27 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 10' ' ' PHE . . . . . . . . . . . . . 23.2 m-85 -61.49 151.45 32.79 Favored 'General case' 0 CA--C 1.542 0.661 0 O-C-N 121.464 -0.773 . . . . 10.0 112.917 175.242 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 70.9 mt -120.52 97.84 5.5 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.492 0 C-N-CA 126.166 1.786 . . . . 10.0 106.304 169.385 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 60.2 mtpt -96.29 84.67 3.79 Favored 'General case' 0 N--CA 1.473 0.709 0 C-N-CA 125.522 1.529 . . . . 10.0 110.542 -172.766 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 26.8 mt-30 -76.65 -26.71 55.15 Favored 'General case' 0 CA--C 1.541 0.601 0 C-N-CA 124.067 0.947 . . . . 10.0 111.652 171.225 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . 80.31 11.58 84.1 Favored Glycine 0 CA--C 1.536 1.399 0 C-N-CA 125.053 1.311 . . . . 10.0 114.16 179.977 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 45.6 ttp180 -69.59 129.85 40.8 Favored 'General case' 0 N--CA 1.47 0.55 0 C-N-CA 127.108 2.163 . . . . 10.0 110.992 177.741 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 53.1 tttm -69.85 120.53 15.73 Favored 'General case' 0 N--CA 1.473 0.678 0 C-N-CA 123.94 0.896 . . . . 10.0 110.64 171.878 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 75.4 mt -90.02 -179.93 5.8 Favored 'General case' 0 CA--C 1.546 0.815 0 C-N-CA 126.425 1.89 . . . . 10.0 111.806 175.478 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 20.2 t0 -132.13 95.33 3.64 Favored 'General case' 0 CA--C 1.541 0.614 0 C-N-CA 125.718 1.607 . . . . 10.0 110.368 175.442 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . 59.3 mt -134.43 132.12 54.85 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.715 0 C-N-CA 127.455 2.302 . . . . 10.0 108.124 -175.06 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 23.6 t0 -89.3 84.45 6.48 Favored 'General case' 0 CA--C 1.539 0.526 0 CA-C-O 121.981 0.896 . . . . 10.0 110.748 172.952 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 21' ' ' PHE . . . . . . . . . . . . . 54.0 m-85 -61.77 -42.64 99.24 Favored 'General case' 0 CA--C 1.541 0.607 0 C-N-CA 126.656 1.982 . . . . 10.0 111.509 171.09 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 132.2 152.37 7.06 Favored Glycine 0 CA--C 1.533 1.166 0 C-N-CA 128.257 2.837 . . . . 10.0 109.61 -169.786 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -41.05 -51.77 3.28 Favored 'General case' 0 CA--C 1.548 0.875 0 N-CA-C 116.071 1.878 . . . . 10.0 116.071 -169.624 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 37.9 tt0 -63.11 -50.3 71.04 Favored 'General case' 0 N--CA 1.475 0.811 0 C-N-CA 125.237 1.415 . . . . 10.0 112.802 176.758 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -66.27 -37.06 92.56 Favored Glycine 0 CA--C 1.535 1.3 0 C-N-CA 124.867 1.223 . . . . 10.0 114.262 178.451 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 83.9 m-20 -56.35 -51.29 68.82 Favored 'General case' 0 CA--C 1.536 0.417 0 C-N-CA 126.045 1.738 . . . . 10.0 110.433 174.58 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 87.5 mtm180 -59.93 -44.96 94.04 Favored 'General case' 0 N--CA 1.474 0.734 0 C-N-CA 125.08 1.352 . . . . 10.0 111.763 176.292 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 28' ' ' TYR . . . . . . . . . . . . . 77.9 t80 -58.88 -53.69 55.57 Favored 'General case' 0 CA--C 1.536 0.43 0 C-N-CA 123.603 0.761 . . . . 10.0 112.346 176.05 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 29' ' ' TYR . . . . . . . . . . . . . 77.4 t80 -56.44 -51.87 66.8 Favored 'General case' 0 CA--C 1.537 0.448 0 C-N-CA 124.13 0.972 . . . . 10.0 112.251 177.145 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -49.61 -36.71 25.12 Favored 'General case' 0 CA--C 1.546 0.81 0 C-N-CA 124.38 1.072 . . . . 10.0 113.866 176.858 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -86.56 -21.97 26.58 Favored 'General case' 0 CA--C 1.552 1.039 0 N-CA-C 115.235 1.568 . . . . 10.0 115.235 177.037 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 32' ' ' ASN . . . . . . . . . . . . . 55.7 m-80 -130.63 11.53 5.27 Favored 'General case' 0 N--CA 1.477 0.903 0 N-CA-C 116.435 2.013 . . . . 10.0 116.435 -169.24 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 33' ' ' TYR . . . . . . . . . . . . . 44.8 p90 -50.4 -31.22 14.29 Favored 'General case' 0 N--CA 1.476 0.855 0 C-N-CA 125.786 1.634 . . . . 10.0 115.194 -175.218 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 34' ' ' TRP . . . . . . . . . . . . . 65.5 p-90 -50.84 -33.85 25.41 Favored 'General case' 0 CA--C 1.545 0.776 0 C-N-CA 126.181 1.793 . . . . 10.0 114.402 175.007 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 32.8 mt-30 -68.89 -35.98 77.51 Favored 'General case' 0 N--CA 1.474 0.759 0 C-N-CA 124.42 1.088 . . . . 10.0 113.667 177.742 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 36' ' ' PHE . . . . . . . . . . . . . 64.5 m-85 -75.44 157.07 84.96 Favored Pre-proline 0 CA--C 1.545 0.766 0 C-N-CA 126.456 1.903 . . . . 10.0 113.872 -169.581 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 59.7 Cg_endo -73.49 160.79 43.77 Favored 'Trans proline' 0 CA--C 1.541 0.848 0 C-N-CA 123.039 2.493 . . . . 10.0 110.95 169.616 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 7.4 t70 -112.54 -36.13 5.33 Favored 'General case' 0 N--CA 1.475 0.782 0 C-N-CA 125.283 1.433 . . . . 10.0 111.061 172.986 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . -130.66 174.25 19.84 Favored Glycine 0 CA--C 1.534 1.239 0 C-N-CA 126.034 1.778 . . . . 10.0 111.621 169.651 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 40' ' ' ILE . . . . . . . . . . . . . 97.3 mt -138.23 126.01 29.34 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.691 0 C-N-CA 125.284 1.434 . . . . 10.0 108.342 175.178 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 41' ' ' TYR . . . . . . . . . . . . . 90.9 t80 -73.48 109.7 7.2 Favored 'General case' 0 CA--C 1.536 0.418 0 C-N-CA 125.275 1.43 . . . . 10.0 109.835 171.409 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 42' ' ' TYR . . . . . . . . . . . . . 49.4 t80 -151.54 149.83 29.65 Favored 'General case' 0 N--CA 1.474 0.733 0 CA-C-N 119.167 0.894 . . . . 10.0 112.385 -179.48 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 51.5 mt-10 -135.29 71.22 1.43 Allowed 'General case' 0 N--CA 1.474 0.741 0 C-N-CA 126.034 1.734 . . . . 10.0 110.81 -175.684 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . -79.51 -57.22 3.17 Favored Glycine 0 CA--C 1.532 1.116 0 C-N-CA 124.847 1.213 . . . . 10.0 113.564 -178.742 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 45' ' ' CYS . . . . . . . . . . . . . 25.0 m -62.52 142.25 58.04 Favored 'General case' 0 CA--C 1.541 0.627 0 C-N-CA 125.48 1.512 . . . . 10.0 114.029 -178.203 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 24.8 t -146.55 -52.52 0.23 Allowed 'General case' 0 N--CA 1.472 0.651 0 C-N-CA 126.273 1.829 . . . . 10.0 111.45 178.915 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 10.8 pt-20 -141.88 162.77 34.65 Favored 'General case' 0 CA--C 1.542 0.659 0 C-N-CA 126.253 1.821 . . . . 10.0 112.106 -179.441 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -52.49 -25.01 9.06 Favored 'General case' 0 CA--C 1.546 0.79 0 C-N-CA 126.503 1.921 . . . . 10.0 116.096 -174.309 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 68.2 m-20 -61.14 -32.13 71.84 Favored 'General case' 0 CA--C 1.546 0.813 0 C-N-CA 124.162 0.985 . . . . 10.0 113.331 172.535 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . 48.0 t -73.02 124.32 29.7 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.861 0 C-N-CA 124.762 1.225 . . . . 10.0 110.166 173.117 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 82.6 p -113.31 176.7 4.91 Favored 'General case' 0 N--CA 1.478 0.966 0 C-N-CA 125.775 1.63 . . . . 10.0 112.254 -177.733 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 84.3 tttt -58.69 -54.66 44.52 Favored 'General case' 0 N--CA 1.473 0.7 0 O-C-N 121.316 -0.865 . . . . 10.0 111.97 173.358 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 12.3 pt-20 -54.13 -37.44 64.36 Favored 'General case' 0 N--CA 1.474 0.742 0 N-CA-C 112.88 0.696 . . . . 10.0 112.88 179.306 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 54' ' ' MET . . . . . . . . . . . . . 93.7 mtp -62.61 -56.72 15.23 Favored 'General case' 0 CA--C 1.538 0.496 0 C-N-CA 123.211 0.605 . . . . 10.0 111.109 169.445 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 8.3 tt -54.98 -52.83 61.88 Favored 'General case' 0 CA--C 1.535 0.38 0 C-N-CA 124.989 1.315 . . . . 10.0 113.367 -177.124 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 43.6 t -59.69 -52.02 65.93 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.965 0 CA-C-N 119.504 1.047 . . . . 10.0 111.523 -173.24 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 57' ' ' THR . . . . . . . . . . . . . 87.8 m -59.67 -48.17 82.73 Favored 'General case' 0 N--CA 1.475 0.779 0 C-N-CA 124.431 1.092 . . . . 10.0 111.936 174.614 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 42.0 m -61.47 -38.86 88.77 Favored 'General case' 0 N--CA 1.474 0.729 0 C-N-CA 123.544 0.737 . . . . 10.0 112.773 178.388 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 59' ' ' CYS . . . . . . . . . . . . . 36.7 t -59.12 -50.07 75.46 Favored 'General case' 0 CA--C 1.535 0.403 0 C-N-CA 126.598 1.959 . . . . 10.0 112.231 172.898 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 60' ' ' VAL . . . . . . . . . . . . . 41.6 t -54.67 -49.52 67.18 Favored 'Isoleucine or valine' 0 N--CA 1.479 1.004 0 C-N-CA 124.013 0.925 . . . . 10.0 111.511 171.663 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 61' ' ' ASN . . . . . . . . . . . . . 16.9 m-80 -58.53 -45.3 89.14 Favored 'General case' 0 CA--C 1.544 0.746 0 C-N-CA 124.513 1.125 . . . . 10.0 113.146 175.795 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -61.69 -45.51 93.68 Favored 'General case' 0 CA--C 1.537 0.477 0 C-N-CA 124.093 0.957 . . . . 10.0 111.537 174.855 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 63' ' ' THR . . . . . . . . . . . . . 31.4 m -55.23 -49.13 72.76 Favored 'General case' 0 N--CA 1.472 0.654 0 C-N-CA 125.362 1.465 . . . . 10.0 111.547 176.112 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 64' ' ' GLN . . . . . . . . . . . . . 77.2 mt-30 -49.92 -59.65 3.66 Favored 'General case' 0 CA--C 1.539 0.529 0 C-N-CA 124.732 1.213 . . . . 10.0 111.836 171.0 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -56.3 -40.28 74.07 Favored 'General case' 0 CA--C 1.546 0.813 0 C-N-CA 125.685 1.594 . . . . 10.0 114.153 -179.707 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -71.59 -43.93 65.37 Favored 'General case' 0 CA--C 1.543 0.677 0 C-N-CA 125.3 1.44 . . . . 10.0 114.222 -179.816 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 67' ' ' ASN . . . . . . . . . . . . . 9.3 m-80 -113.38 39.52 2.59 Favored 'General case' 0 CA--C 1.545 0.781 0 C-N-CA 124.509 1.124 . . . . 10.0 112.288 -169.668 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 68' ' ' GLN . . . . . . . . . . . . . 16.9 mm-40 -51.05 -50.53 58.46 Favored 'General case' 0 N--CA 1.473 0.721 0 C-N-CA 126.224 1.809 . . . . 10.0 113.636 -174.189 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -54.28 -48.52 71.15 Favored 'General case' 0 CA--C 1.542 0.645 0 C-N-CA 124.909 1.284 . . . . 10.0 113.074 -177.792 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 16.4 mm-40 -55.63 -55.15 35.42 Favored 'General case' 0 N--CA 1.471 0.619 0 C-N-CA 124.887 1.275 . . . . 10.0 111.307 179.209 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 71' ' ' PHE . . . . . . . . . . . . . 33.2 m-85 -59.21 -49.42 77.93 Favored 'General case' 0 CA--C 1.535 0.385 0 C-N-CA 123.923 0.889 . . . . 10.0 112.264 176.147 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 70.7 m -53.95 -48.32 70.39 Favored 'General case' 0 N--CA 1.473 0.718 0 C-N-CA 125.127 1.371 . . . . 10.0 112.88 -178.92 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 73' ' ' ARG . . . . . . . . . . . . . 89.4 mmt-85 -63.47 -52.12 62.73 Favored 'General case' 0 N--CA 1.474 0.774 0 C-N-CA 124.564 1.145 . . . . 10.0 112.326 176.089 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 37.1 mm-40 -65.9 -59.41 3.88 Favored 'General case' 0 N--CA 1.472 0.629 0 C-N-CA 124.229 1.012 . . . . 10.0 113.573 -176.735 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 23.1 ttmm -43.95 -40.02 4.39 Favored 'General case' 0 N--CA 1.481 1.112 0 C-N-CA 127.896 2.478 . . . . 10.0 115.147 -169.84 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 76' ' ' GLN . . . . . . . . . . . . . 95.7 mm-40 -53.78 -33.55 56.26 Favored 'General case' 0 CA--C 1.546 0.796 0 C-N-CA 125.713 1.605 . . . . 10.0 114.343 179.156 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 31.8 t70 -135.49 -35.04 0.82 Allowed 'General case' 0 N--CA 1.476 0.865 0 C-N-CA 125.039 1.336 . . . . 10.0 114.034 -172.715 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -77.38 63.44 2.56 Favored 'General case' 0 CA--C 1.543 0.688 0 C-N-CA 127.316 2.246 . . . . 10.0 112.578 -173.521 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 88.3 tttt -49.74 -62.28 1.65 Allowed 'General case' 0 N--CA 1.475 0.796 0 C-N-CA 127.704 2.402 . . . . 10.0 113.206 -171.934 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 39.7 tp -63.32 -44.82 93.87 Favored 'General case' 0 CA--C 1.536 0.441 0 C-N-CA 124.671 1.189 . . . . 10.0 112.166 -179.576 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 81' ' ' HIS . . . . . . . . . . . . . 16.3 t-160 -50.86 -48.22 60.17 Favored 'General case' 0 N--CA 1.471 0.603 0 C-N-CA 123.763 0.825 . . . . 10.0 112.019 -177.927 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 82' ' ' GLN . . . . . . . . . . . . . 84.0 mm-40 -47.88 -55.69 9.26 Favored 'General case' 0 N--CA 1.471 0.624 0 C-N-CA 124.207 1.003 . . . . 10.0 112.638 175.955 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 83' ' ' ARG . . . . . . . . . . . . . 10.6 mpt_? -54.48 -53.95 47.46 Favored 'General case' 0 N--CA 1.48 1.042 0 C-N-CA 124.435 1.094 . . . . 10.0 111.568 -178.553 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 84' ' ' VAL . . . . . . . . . . . . . 16.3 t -59.91 -49.98 81.85 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.772 0 C-N-CA 125.372 1.469 . . . . 10.0 111.101 178.682 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 85' ' ' LEU . . . . . . . . . . . . . 48.1 tp -60.49 -47.25 86.95 Favored 'General case' 0 N--CA 1.47 0.53 0 C-N-CA 126.089 1.756 . . . . 10.0 113.092 179.881 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 86' ' ' TRP . . . . . . . . . . . . . 68.9 m95 -60.7 -41.89 96.08 Favored 'General case' 0 N--CA 1.468 0.425 0 O-C-N 121.431 -0.793 . . . . 10.0 112.869 174.748 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 87' ' ' ARG . . . . . . . . . . . . . 14.8 tpt180 -58.33 -47.5 83.56 Favored 'General case' 0 N--CA 1.472 0.657 0 CA-C-O 118.571 -0.728 . . . . 10.0 111.636 169.748 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 88' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -50.96 -56.39 12.63 Favored 'General case' 0 N--CA 1.474 0.754 0 C-N-CA 125.363 1.465 . . . . 10.0 111.705 174.518 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 89' ' ' ILE . . . . . . . . . . . . . 81.4 mt -54.42 -51.18 51.68 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.539 0 C-N-CA 125.743 1.617 . . . . 10.0 110.796 176.29 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 40.4 ttmt -58.22 -46.07 86.55 Favored 'General case' 0 N--CA 1.472 0.671 0 C-N-CA 124.665 1.186 . . . . 10.0 113.164 177.744 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 68.5 mm-40 -52.52 -51.92 57.16 Favored 'General case' 0 N--CA 1.471 0.608 0 CA-C-N 119.526 1.057 . . . . 10.0 111.57 172.007 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 92' ' ' ILE . . . . . . . . . . . . . 96.7 mt -55.85 -54.46 26.26 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.948 0 C-N-CA 123.906 0.882 . . . . 10.0 111.474 174.581 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 93' ' ' CYS . . . . . . . . . . . . . 84.3 m -56.99 -43.75 82.04 Favored 'General case' 0 CA--C 1.547 0.85 0 C-N-CA 124.742 1.217 . . . . 10.0 112.642 -179.797 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 21.9 t -64.4 -45.37 87.9 Favored 'General case' 0 N--CA 1.475 0.784 0 C-N-CA 126.118 1.767 . . . . 10.0 113.561 174.208 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . -58.76 -49.48 77.47 Favored 'General case' 0 CA--C 1.541 0.634 0 C-N-CA 125.364 1.466 . . . . 10.0 113.67 -174.442 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 96' ' ' LYS . . . . . . . . . . . . . 18.8 ptpt -61.77 139.19 58.36 Favored 'General case' 0 N--CA 1.477 0.904 0 C-N-CA 124.3 1.04 . . . . 10.0 112.373 177.34 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 97' ' ' HIS . . . . . . . . . . . . . 2.9 m-70 -134.21 170.1 16.19 Favored 'General case' 0 N--CA 1.478 0.928 0 C-N-CA 126.523 1.929 . . . . 10.0 111.405 -178.481 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 98' ' ' CYS . . . . . . . . . . . . . 56.3 m -125.01 137.96 54.23 Favored 'General case' 0 N--CA 1.47 0.536 0 C-N-CA 125.009 1.324 . . . . 10.0 112.397 -174.545 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 99' ' ' ASP . . . . . . . . . . . . . 31.8 t70 -57.03 -44.89 83.33 Favored 'General case' 0 N--CA 1.472 0.66 0 C-N-CA 125.658 1.583 . . . . 10.0 113.8 -172.883 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 100' ' ' PHE . . . . . . . . . . . . . 9.0 p90 -71.95 -11.93 61.01 Favored 'General case' 0 CA--C 1.544 0.742 0 N-CA-C 115.166 1.543 . . . . 10.0 115.166 -176.065 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 101' ' ' TRP . . . . . . . . . . . . . 40.6 m0 -57.16 129.04 39.99 Favored 'General case' 0 N--CA 1.474 0.74 0 CA-C-N 119.915 1.234 . . . . 10.0 112.247 -179.422 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 102' ' ' LEU . . . . . . . . . . . . . 4.3 pp -143.8 175.74 9.77 Favored 'General case' 0 CA--C 1.543 0.674 0 C-N-CA 126.913 2.085 . . . . 10.0 112.297 -169.636 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 39.2 tt0 -139.49 -74.21 0.37 Allowed 'General case' 0 N--CA 1.472 0.668 0 C-N-CA 124.855 1.262 . . . . 10.0 110.955 176.727 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 104' ' ' ARG . . . . . . . . . . . . . 40.5 ttm180 -70.15 136.7 50.38 Favored 'General case' 0 N--CA 1.475 0.793 0 C-N-CA 124.785 1.234 . . . . 10.0 111.171 175.037 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 105' ' ' GLY . . . . . . . . . . . . . . . -71.22 -59.14 5.15 Favored Glycine 0 CA--C 1.535 1.302 0 C-N-CA 124.714 1.15 . . . . 10.0 112.908 177.583 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 106' ' ' ALA . . . . . . . . . . . . . . . -64.84 127.2 30.56 Favored 'General case' 0 CA--C 1.546 0.825 0 C-N-CA 124.64 1.176 . . . . 10.0 112.352 177.928 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 107' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.253 1.268 0 C-N-CA 125.373 1.469 . . . . 10.0 112.939 175.559 . . . . . . . . 0 0 . 1 . 013 nuclear build full ' A' A ' 1' ' ' ARG . . . . . . . . . . . . . 54.6 ttp85 . . . . . 0 N--CA 1.488 1.459 0 N-CA-C 110.131 -0.322 . . . . 10.0 110.131 . . . . . . . . . 0 0 . 1 . 013 nuclear build full ' A' A ' 2' ' ' VAL . . . . . . . . . . . . . 65.1 t -68.51 115.75 7.46 Favored 'Isoleucine or valine' 0 N--CA 1.479 1.019 0 C-N-CA 123.784 0.834 . . . . 10.0 109.608 171.315 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -69.37 149.49 48.33 Favored 'General case' 0 CA--C 1.54 0.576 0 C-N-CA 123.979 0.911 . . . . 10.0 112.531 176.796 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 36.4 mp0 -64.49 133.63 52.83 Favored 'General case' 0 CA--C 1.538 0.482 0 C-N-CA 124.174 0.99 . . . . 10.0 110.337 169.75 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 5' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -73.49 62.12 0.73 Allowed 'General case' 0 CA--C 1.552 1.043 0 C-N-CA 124.351 1.061 . . . . 10.0 110.424 169.635 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 6.4 ptp180 -77.34 159.55 77.37 Favored Pre-proline 0 CA--C 1.543 0.702 0 C-N-CA 127.811 2.444 . . . . 10.0 111.342 178.384 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 7' ' ' PRO . . . . . . . . . . . . . 20.4 Cg_endo -55.69 120.94 9.08 Favored 'Trans proline' 0 CA--C 1.539 0.729 0 C-N-CA 122.618 2.212 . . . . 10.0 111.149 177.26 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . 118.96 -20.93 9.71 Favored Glycine 0 CA--C 1.539 1.555 0 C-N-CA 127.851 2.643 . . . . 10.0 113.418 -169.63 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -59.32 133.32 55.99 Favored 'General case' 0 CA--C 1.545 0.779 0 CA-C-N 119.433 1.616 . . . . 10.0 113.493 -171.072 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 10' ' ' PHE . . . . . . . . . . . . . 19.7 m-30 -58.35 141.25 51.81 Favored 'General case' 0 CA--C 1.541 0.631 0 C-N-CA 124.074 0.95 . . . . 10.0 111.929 170.775 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 55.6 mt -112.71 96.39 4.64 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.538 0 C-N-CA 125.643 1.577 . . . . 10.0 107.006 169.835 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 55.9 mtmt -92.47 118.46 30.99 Favored 'General case' 0 N--CA 1.472 0.656 0 C-N-CA 125.46 1.504 . . . . 10.0 110.245 -178.55 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 73.3 mt-30 -121.02 -43.61 2.44 Favored 'General case' 0 CA--C 1.539 0.546 0 C-N-CA 127.819 2.448 . . . . 10.0 111.526 -171.465 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . 85.21 55.22 2.66 Favored Glycine 0 CA--C 1.532 1.152 0 C-N-CA 125.968 1.747 . . . . 10.0 111.638 -171.055 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 51.3 ttm-85 -122.1 77.0 1.34 Allowed 'General case' 0 N--CA 1.471 0.584 0 C-N-CA 126.874 2.069 . . . . 10.0 109.269 -175.43 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 76.1 tttt -46.26 105.77 0.07 Allowed 'General case' 0 N--CA 1.475 0.793 0 C-N-CA 127.884 2.473 . . . . 10.0 112.752 -169.844 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 89.9 mt -77.63 171.79 14.39 Favored 'General case' 0 CA--C 1.543 0.679 0 C-N-CA 126.17 1.788 . . . . 10.0 112.878 -172.077 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 19.5 t0 -121.98 90.4 3.3 Favored 'General case' 0 CA--C 1.541 0.609 0 C-N-CA 125.898 1.679 . . . . 10.0 110.286 174.805 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . 74.8 mt -132.03 125.76 55.34 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.651 0 C-N-CA 127.355 2.262 . . . . 10.0 107.517 -179.78 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 24.6 t0 -83.76 83.69 7.83 Favored 'General case' 0 N--CA 1.469 0.516 0 CA-C-O 121.916 0.865 . . . . 10.0 110.432 172.143 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 21' ' ' PHE . . . . . . . . . . . . . 89.2 m-85 -60.95 -41.47 96.34 Favored 'General case' 0 CA--C 1.539 0.54 0 C-N-CA 126.487 1.915 . . . . 10.0 111.82 172.539 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 127.31 162.55 11.18 Favored Glycine 0 CA--C 1.533 1.216 0 C-N-CA 127.578 2.513 . . . . 10.0 110.469 -169.663 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -43.98 -54.86 5.05 Favored 'General case' 0 CA--C 1.546 0.812 0 N-CA-C 115.33 1.604 . . . . 10.0 115.33 -169.892 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 58.1 mt-10 -60.87 -52.13 66.36 Favored 'General case' 0 N--CA 1.474 0.736 0 C-N-CA 124.089 0.956 . . . . 10.0 111.864 177.809 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -66.97 -38.19 92.64 Favored Glycine 0 CA--C 1.528 0.849 0 C-N-CA 124.539 1.066 . . . . 10.0 114.149 -175.719 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 90.4 m-20 -56.61 -50.77 71.02 Favored 'General case' 0 CA--C 1.536 0.404 0 C-N-CA 125.485 1.514 . . . . 10.0 110.315 172.839 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 99.4 mtt180 -62.86 -47.26 84.11 Favored 'General case' 0 N--CA 1.475 0.82 0 C-N-CA 124.599 1.16 . . . . 10.0 111.395 177.938 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 28' ' ' TYR . . . . . . . . . . . . . 77.2 t80 -58.11 -53.59 56.5 Favored 'General case' 0 CA--C 1.538 0.507 0 C-N-CA 124.725 1.21 . . . . 10.0 112.296 177.731 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 29' ' ' TYR . . . . . . . . . . . . . 81.8 t80 -57.13 -51.43 69.33 Favored 'General case' 0 CA--C 1.535 0.382 0 C-N-CA 124.763 1.225 . . . . 10.0 112.153 175.846 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -50.28 -35.29 26.64 Favored 'General case' 0 CA--C 1.546 0.807 0 N-CA-C 113.794 1.035 . . . . 10.0 113.794 178.005 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -86.08 -29.76 23.12 Favored 'General case' 0 CA--C 1.552 1.032 0 C-N-CA 125.681 1.593 . . . . 10.0 115.118 175.739 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 32' ' ' ASN . . . . . . . . . . . . . 55.5 m-80 -123.61 10.9 9.12 Favored 'General case' 0 CA--C 1.548 0.891 0 N-CA-C 116.541 2.052 . . . . 10.0 116.541 -169.036 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 33' ' ' TYR . . . . . . . . . . . . . 45.9 p90 -48.05 -34.05 8.97 Favored 'General case' 0 N--CA 1.478 0.936 0 C-N-CA 126.448 1.899 . . . . 10.0 115.059 -176.602 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 34' ' ' TRP . . . . . . . . . . . . . 63.7 p-90 -50.14 -33.91 20.54 Favored 'General case' 0 CA--C 1.546 0.813 0 C-N-CA 126.017 1.727 . . . . 10.0 114.521 174.306 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 29.9 mt-30 -70.22 -37.7 75.07 Favored 'General case' 0 N--CA 1.473 0.691 0 C-N-CA 124.829 1.252 . . . . 10.0 113.789 177.103 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 36' ' ' PHE . . . . . . . . . . . . . 69.8 m-85 -72.8 156.11 90.17 Favored Pre-proline 0 CA--C 1.543 0.7 0 C-N-CA 126.04 1.736 . . . . 10.0 114.57 -169.468 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 90.5 Cg_endo -73.48 128.06 12.38 Favored 'Trans proline' 0 CA--C 1.539 0.755 0 C-N-CA 123.314 2.676 . . . . 10.0 110.355 169.503 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 9.7 m-20 -85.47 -32.68 22.13 Favored 'General case' 0 N--CA 1.472 0.632 0 C-N-CA 123.956 0.902 . . . . 10.0 111.003 173.312 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . -134.54 172.16 22.0 Favored Glycine 0 CA--C 1.536 1.402 0 C-N-CA 127.165 2.317 . . . . 10.0 110.917 169.448 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 40' ' ' ILE . . . . . . . . . . . . . 98.5 mt -136.39 124.71 35.76 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.83 0 C-N-CA 124.646 1.178 . . . . 10.0 108.906 175.112 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 41' ' ' TYR . . . . . . . . . . . . . 71.9 t80 -72.76 101.47 3.11 Favored 'General case' 0 CA--C 1.535 0.377 0 C-N-CA 124.958 1.303 . . . . 10.0 110.136 174.132 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 42' ' ' TYR . . . . . . . . . . . . . 59.9 t80 -152.78 145.78 24.53 Favored 'General case' 0 N--CA 1.469 0.492 0 C-N-CA 124.055 0.942 . . . . 10.0 111.592 176.551 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 50.6 mt-10 -128.0 86.56 2.49 Favored 'General case' 0 N--CA 1.47 0.532 0 C-N-CA 125.839 1.656 . . . . 10.0 110.238 -177.503 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . -103.23 37.84 3.52 Favored Glycine 0 CA--C 1.533 1.159 0 C-N-CA 125.075 1.321 . . . . 10.0 113.964 -176.687 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 45' ' ' CYS . . . . . . . . . . . . . 70.7 m -135.42 119.73 17.85 Favored 'General case' 0 CA--C 1.541 0.609 0 C-N-CA 125.772 1.629 . . . . 10.0 110.725 -176.287 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 38.7 p -136.87 -59.32 0.71 Allowed 'General case' 0 N--CA 1.472 0.642 0 C-N-CA 126.081 1.752 . . . . 10.0 112.146 178.639 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 12.0 pt-20 -147.1 158.79 44.05 Favored 'General case' 0 CA--C 1.542 0.667 0 C-N-CA 126.138 1.775 . . . . 10.0 112.908 -178.376 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -56.01 -19.72 13.75 Favored 'General case' 0 CA--C 1.546 0.824 0 N-CA-C 116.143 1.905 . . . . 10.0 116.143 -174.755 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 72.8 m-20 -61.96 -31.65 72.01 Favored 'General case' 0 CA--C 1.546 0.813 0 C-N-CA 123.979 0.912 . . . . 10.0 113.152 170.401 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . 47.1 t -70.28 130.35 34.59 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.865 0 C-N-CA 124.672 1.189 . . . . 10.0 109.898 170.477 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 73.5 p -112.72 170.85 7.9 Favored 'General case' 0 N--CA 1.477 0.903 0 C-N-CA 125.533 1.533 . . . . 10.0 111.532 -176.998 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 62.6 tttm -57.56 -54.55 45.53 Favored 'General case' 0 N--CA 1.473 0.718 0 O-C-N 121.619 -0.676 . . . . 10.0 112.189 176.803 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 12.8 pt-20 -53.0 -43.11 66.23 Favored 'General case' 0 CA--C 1.543 0.678 0 N-CA-C 113.009 0.744 . . . . 10.0 113.009 176.717 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 54' ' ' MET . . . . . . . . . . . . . 59.3 mtm -61.47 -44.98 96.13 Favored 'General case' 0 CA--C 1.538 0.508 0 C-N-CA 123.416 0.686 . . . . 10.0 112.826 171.925 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 3.0 tt -55.64 -59.55 4.69 Favored 'General case' 0 N--CA 1.47 0.569 0 CA-C-N 119.528 1.058 . . . . 10.0 111.358 173.656 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 56' ' ' VAL . . . . . 0.462 HG22 ' HA ' ' A' ' 94' ' ' SER . 18.5 t -54.25 -48.37 67.08 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.909 0 CA-C-N 119.364 0.984 . . . . 10.0 111.151 -177.543 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 57' ' ' THR . . . . . . . . . . . . . 57.9 m -61.3 -53.74 52.85 Favored 'General case' 0 N--CA 1.476 0.829 0 C-N-CA 124.942 1.297 . . . . 10.0 112.284 178.802 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 96.7 p -60.89 -36.94 80.53 Favored 'General case' 0 N--CA 1.472 0.673 0 O-C-N 121.491 -0.756 . . . . 10.0 112.642 177.915 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 59' ' ' CYS . . . . . . . . . . . . . 43.4 t -57.79 -51.35 69.94 Favored 'General case' 0 CA--C 1.536 0.441 0 C-N-CA 125.744 1.617 . . . . 10.0 112.646 170.843 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 60' ' ' VAL . . . . . . . . . . . . . 43.8 t -54.46 -49.11 67.86 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.071 0 CA-C-N 119.402 1.001 . . . . 10.0 111.466 172.29 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 61' ' ' ASN . . . . . . . . . . . . . 15.8 m-80 -59.45 -44.03 93.04 Favored 'General case' 0 CA--C 1.545 0.759 0 C-N-CA 124.155 0.982 . . . . 10.0 113.147 176.887 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -61.1 -49.15 78.47 Favored 'General case' 0 CA--C 1.539 0.549 0 C-N-CA 124.042 0.937 . . . . 10.0 111.11 173.823 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 63' ' ' THR . . . . . . . . . . . . . 33.1 m -52.95 -50.27 64.39 Favored 'General case' 0 N--CA 1.472 0.644 0 C-N-CA 125.779 1.632 . . . . 10.0 111.751 176.9 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 64' ' ' GLN . . . . . . . . . . . . . 79.6 mt-30 -48.36 -60.66 2.49 Favored 'General case' 0 CA--C 1.538 0.506 0 C-N-CA 125.433 1.493 . . . . 10.0 112.015 172.512 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -58.6 -38.65 78.43 Favored 'General case' 0 CA--C 1.546 0.815 0 C-N-CA 125.351 1.461 . . . . 10.0 114.165 -179.387 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -71.71 -38.61 70.5 Favored 'General case' 0 CA--C 1.542 0.659 0 N-CA-C 114.459 1.281 . . . . 10.0 114.459 179.68 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 67' ' ' ASN . . . . . . . . . . . . . 11.4 m-80 -117.82 40.14 3.19 Favored 'General case' 0 CA--C 1.546 0.811 0 C-N-CA 124.242 1.017 . . . . 10.0 112.411 -169.824 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 68' ' ' GLN . . . . . . . . . . . . . 37.8 mm-40 -48.96 -52.88 22.33 Favored 'General case' 0 N--CA 1.475 0.776 0 C-N-CA 126.394 1.878 . . . . 10.0 113.086 -179.69 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -53.18 -42.99 66.77 Favored 'General case' 0 CA--C 1.542 0.656 0 C-N-CA 125.222 1.409 . . . . 10.0 113.191 179.849 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 28.6 mm-40 -59.33 -58.68 7.54 Favored 'General case' 0 CA--C 1.537 0.444 0 C-N-CA 124.243 1.017 . . . . 10.0 110.725 175.473 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 71' ' ' PHE . . . . . . . . . . . . . 37.2 m-85 -58.32 -28.91 65.47 Favored 'General case' 0 CA--C 1.54 0.58 0 N-CA-C 114.468 1.284 . . . . 10.0 114.468 -178.956 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 72.7 m -62.32 -56.11 21.58 Favored 'General case' 0 N--CA 1.473 0.708 0 CA-C-N 119.105 0.866 . . . . 10.0 112.497 169.841 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 73' ' ' ARG . . . . . . . . . . . . . 68.4 mtm-85 -63.98 -58.6 6.22 Favored 'General case' 0 N--CA 1.478 0.934 0 C-N-CA 124.133 0.973 . . . . 10.0 112.556 178.808 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 54.9 mm-40 -74.49 43.67 0.19 Allowed 'General case' 0 CA--C 1.545 0.771 0 C-N-CA 128.688 2.795 . . . . 10.0 113.418 -169.418 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 41.6 ttmt -155.31 -62.47 0.12 Allowed 'General case' 0 N--CA 1.468 0.459 0 C-N-CA 129.582 3.153 . . . . 10.0 109.458 -173.747 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 76' ' ' GLN . . . . . . . . . . . . . 89.7 mm-40 -65.37 -52.79 51.24 Favored 'General case' 0 CA--C 1.54 0.558 0 C-N-CA 125.433 1.493 . . . . 10.0 111.472 173.617 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 25.1 t70 -71.5 -39.17 71.0 Favored 'General case' 0 CA--C 1.542 0.641 0 C-N-CA 124.181 0.993 . . . . 10.0 112.561 176.724 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 6.9 t -132.31 97.74 4.2 Favored 'General case' 0 N--CA 1.471 0.625 0 C-N-CA 124.599 1.159 . . . . 10.0 113.321 -175.676 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 88.1 tttt -60.39 -46.72 88.96 Favored 'General case' 0 N--CA 1.475 0.798 0 C-N-CA 125.942 1.697 . . . . 10.0 112.029 173.72 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -52.51 -49.51 64.65 Favored 'General case' 0 N--CA 1.472 0.67 0 C-N-CA 125.893 1.677 . . . . 10.0 111.145 177.736 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 81' ' ' HIS . . . . . . . . . . . . . 6.4 t-160 -51.42 -48.41 62.69 Favored 'General case' 0 N--CA 1.466 0.373 0 C-N-CA 125.591 1.556 . . . . 10.0 113.55 -170.691 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 82' ' ' GLN . . . . . . . . . . . . . 61.4 mm-40 -44.37 -60.84 1.75 Allowed 'General case' 0 N--CA 1.477 0.886 0 C-N-CA 125.055 1.342 . . . . 10.0 113.742 -178.011 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 83' ' ' ARG . . . . . . . . . . . . . 61.0 mtm180 -52.35 -51.75 57.11 Favored 'General case' 0 N--CA 1.479 1.001 0 C-N-CA 124.572 1.149 . . . . 10.0 112.223 -178.129 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 84' ' ' VAL . . . . . . . . . . . . . 3.4 t -59.71 -54.2 37.91 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.721 0 C-N-CA 125.893 1.677 . . . . 10.0 110.969 178.026 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 85' ' ' LEU . . . . . . . . . . . . . 33.8 tp -56.11 -51.75 66.79 Favored 'General case' 0 CA--C 1.536 0.406 0 C-N-CA 126.126 1.77 . . . . 10.0 112.312 -179.832 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 86' ' ' TRP . . . . . . . . . . . . . 58.6 m95 -59.48 -43.43 93.29 Favored 'General case' 0 N--CA 1.467 0.422 0 N-CA-C 113.446 0.906 . . . . 10.0 113.446 175.952 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 87' ' ' ARG . . . . . . . . . . . . . 14.4 tpt180 -56.67 -50.57 71.7 Favored 'General case' 0 N--CA 1.472 0.654 0 CA-C-N 118.864 0.756 . . . . 10.0 111.297 171.538 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 88' ' ' LEU . . . . . . . . . . . . . 1.2 tt -57.13 -52.79 63.88 Favored 'General case' 0 CA--C 1.544 0.736 0 C-N-CA 124.392 1.077 . . . . 10.0 112.011 177.573 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 89' ' ' ILE . . . . . . . . . . . . . 84.2 mt -49.94 -51.35 16.85 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.733 0 C-N-CA 124.86 1.264 . . . . 10.0 110.519 172.998 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 85.4 tttt -59.56 -46.44 88.9 Favored 'General case' 0 N--CA 1.471 0.585 0 CA-C-O 118.004 -0.998 . . . . 10.0 113.224 177.104 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 59.4 mm-40 -52.88 -50.68 63.36 Favored 'General case' 0 N--CA 1.474 0.774 0 CA-C-N 120.16 1.345 . . . . 10.0 111.811 172.33 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 92' ' ' ILE . . . . . . . . . . . . . 96.1 mt -57.54 -56.08 17.41 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.869 0 C-N-CA 124.225 1.01 . . . . 10.0 111.349 174.309 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 93' ' ' CYS . . . . . . . . . . . . . 68.9 m -57.3 -40.15 77.24 Favored 'General case' 0 CA--C 1.548 0.873 0 C-N-CA 124.701 1.2 . . . . 10.0 112.678 -179.774 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 94' ' ' SER . . . . . 0.462 ' HA ' HG22 ' A' ' 56' ' ' VAL . 16.1 t -64.06 -40.22 95.8 Favored 'General case' 0 N--CA 1.474 0.743 0 C-N-CA 126.445 1.898 . . . . 10.0 113.596 173.368 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . -59.15 -34.69 72.38 Favored 'General case' 0 CA--C 1.544 0.742 0 C-N-CA 124.001 0.92 . . . . 10.0 113.193 176.928 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 96' ' ' LYS . . . . . . . . . . . . . 28.1 mttm -55.59 130.25 42.23 Favored 'General case' 0 N--CA 1.478 0.969 0 C-N-CA 125.036 1.334 . . . . 10.0 111.949 177.573 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 97' ' ' HIS . . . . . 0.441 ' HA ' ' CZ3' ' A' ' 101' ' ' TRP . 26.6 m80 -131.88 154.5 49.14 Favored 'General case' 0 N--CA 1.473 0.722 0 C-N-CA 125.753 1.621 . . . . 10.0 111.908 175.181 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 98' ' ' CYS . . . . . . . . . . . . . 37.7 m -110.54 132.69 53.97 Favored 'General case' 0 CA--C 1.539 0.556 0 C-N-CA 124.934 1.294 . . . . 10.0 111.04 173.579 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 99' ' ' ASP . . . . . . . . . . . . . 32.2 t70 -58.29 -39.04 78.25 Favored 'General case' 0 N--CA 1.474 0.729 0 C-N-CA 124.835 1.254 . . . . 10.0 113.433 -177.801 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 100' ' ' PHE . . . . . . . . . . . . . 5.3 p90 -68.26 -11.32 59.18 Favored 'General case' 0 CA--C 1.545 0.769 0 N-CA-C 115.492 1.664 . . . . 10.0 115.492 -178.458 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 101' ' ' TRP . . . . . 0.441 ' CZ3' ' HA ' ' A' ' 97' ' ' HIS . 33.2 m0 -59.4 118.37 5.92 Favored 'General case' 0 N--CA 1.472 0.638 0 CA-C-N 120.038 1.29 . . . . 10.0 112.7 -177.993 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 102' ' ' LEU . . . . . . . . . . . . . 51.2 mt -81.8 150.91 27.64 Favored 'General case' 0 CA--C 1.54 0.566 0 C-N-CA 126.004 1.722 . . . . 10.0 111.289 -177.964 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 45.9 mt-10 -70.17 -55.12 10.16 Favored 'General case' 0 N--CA 1.474 0.738 0 C-N-CA 123.764 0.825 . . . . 10.0 111.488 175.881 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 104' ' ' ARG . . . . . . . . . . . . . 90.6 mmt-85 -141.9 -59.31 0.47 Allowed 'General case' 0 N--CA 1.477 0.911 0 C-N-CA 126.822 2.049 . . . . 10.0 110.865 176.1 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 105' ' ' GLY . . . . . . . . . . . . . . . -176.48 -164.22 30.16 Favored Glycine 0 CA--C 1.535 1.329 0 C-N-CA 126.057 1.789 . . . . 10.0 112.444 178.473 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 106' ' ' ALA . . . . . . . . . . . . . . . -64.49 151.08 45.33 Favored 'General case' 0 CA--C 1.547 0.861 0 C-N-CA 124.352 1.061 . . . . 10.0 112.875 176.558 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 107' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.252 1.219 0 C-N-CA 126.596 1.959 . . . . 10.0 112.086 179.549 . . . . . . . . 0 0 . 1 . 014 nuclear build full ' A' A ' 1' ' ' ARG . . . . . . . . . . . . . 80.1 mtp85 . . . . . 0 N--CA 1.49 1.565 0 CA-C-O 118.939 -0.553 . . . . 10.0 109.707 . . . . . . . . . 0 0 . 1 . 014 nuclear build full ' A' A ' 2' ' ' VAL . . . . . . . . . . . . . 13.6 p -69.32 138.9 21.3 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.055 0 CA-C-N 119.541 1.064 . . . . 10.0 111.169 172.006 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -81.41 114.12 19.95 Favored 'General case' 0 CA--C 1.54 0.589 0 C-N-CA 123.739 0.816 . . . . 10.0 111.167 172.598 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 46.0 mt-10 -70.99 129.59 39.4 Favored 'General case' 0 N--CA 1.469 0.508 0 N-CA-C 109.301 -0.629 . . . . 10.0 109.301 169.551 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 5' ' ' ASN . . . . . . . . . . . . . 55.1 t30 -73.4 69.95 1.2 Allowed 'General case' 0 CA--C 1.549 0.911 0 C-N-CA 124.643 1.177 . . . . 10.0 112.259 -176.849 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 15.4 ptt-85 -78.46 150.84 77.11 Favored Pre-proline 0 N--CA 1.474 0.737 0 C-N-CA 128.156 2.582 . . . . 10.0 111.977 176.683 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 7' ' ' PRO . . . . . . . . . . . . . 45.7 Cg_endo -61.51 118.49 5.37 Favored 'Trans proline' 0 CA--C 1.539 0.728 0 C-N-CA 122.53 2.153 . . . . 10.0 110.14 175.208 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . 113.77 -10.68 23.29 Favored Glycine 0 CA--C 1.539 1.539 0 C-N-CA 126.515 2.007 . . . . 10.0 113.94 -169.779 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -62.26 130.77 46.88 Favored 'General case' 0 CA--C 1.544 0.738 0 CA-C-N 119.602 1.701 . . . . 10.0 112.067 -179.633 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 10' ' ' PHE . . . . . . . . . . . . . 28.2 m-85 -62.27 151.42 36.47 Favored 'General case' 0 CA--C 1.54 0.559 0 C-N-CA 123.466 0.706 . . . . 10.0 112.073 172.988 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 71.8 mt -121.14 115.45 46.76 Favored 'Isoleucine or valine' 0 C--O 1.236 0.368 0 N-CA-C 106.594 -1.632 . . . . 10.0 106.594 169.612 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 57.4 mtmt -117.6 85.83 2.41 Favored 'General case' 0 N--CA 1.471 0.612 0 C-N-CA 126.282 1.833 . . . . 10.0 109.767 -175.514 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 35.8 mt-30 -76.82 -30.9 56.57 Favored 'General case' 0 CA--C 1.541 0.599 0 C-N-CA 126.518 1.927 . . . . 10.0 111.15 171.664 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . 87.47 62.56 1.47 Allowed Glycine 0 CA--C 1.529 0.964 0 C-N-CA 125.314 1.435 . . . . 10.0 110.229 -174.915 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 37.3 ttp85 -128.39 106.87 9.3 Favored 'General case' 0 N--CA 1.47 0.552 0 C-N-CA 126.865 2.066 . . . . 10.0 110.262 -169.703 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 75.4 tttt -69.87 104.96 2.63 Favored 'General case' 0 N--CA 1.473 0.693 0 C-N-CA 125.68 1.592 . . . . 10.0 110.761 -178.172 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 86.8 mt -75.14 173.7 10.42 Favored 'General case' 0 CA--C 1.543 0.709 0 C-N-CA 125.724 1.61 . . . . 10.0 112.812 -177.449 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 19.5 t0 -126.2 93.32 3.78 Favored 'General case' 0 CA--C 1.541 0.628 0 C-N-CA 125.852 1.661 . . . . 10.0 110.087 172.758 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . 88.7 mt -132.62 134.52 58.61 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.719 0 C-N-CA 127.44 2.296 . . . . 10.0 108.34 -179.121 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 24.4 t0 -85.23 102.43 13.32 Favored 'General case' 0 CA--C 1.538 0.508 0 CA-C-O 121.727 0.775 . . . . 10.0 109.594 169.361 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 21' ' ' PHE . . . . . . . . . . . . . 74.0 m-85 -81.9 -31.42 31.42 Favored 'General case' 0 CA--C 1.542 0.637 0 C-N-CA 126.907 2.083 . . . . 10.0 111.774 170.363 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 119.18 155.45 9.8 Favored Glycine 0 CA--C 1.533 1.184 0 C-N-CA 127.849 2.643 . . . . 10.0 109.754 -169.554 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -41.33 -56.08 2.55 Favored 'General case' 0 CA--C 1.548 0.891 0 N-CA-C 115.546 1.684 . . . . 10.0 115.546 -169.695 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 40.3 tt0 -60.72 -46.8 89.03 Favored 'General case' 0 CA--C 1.544 0.729 0 C-N-CA 125.026 1.33 . . . . 10.0 112.433 178.464 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -68.38 -40.19 87.13 Favored Glycine 0 CA--C 1.533 1.177 0 C-N-CA 125.258 1.408 . . . . 10.0 114.249 179.582 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 92.2 m-20 -55.25 -49.61 71.58 Favored 'General case' 0 CA--C 1.535 0.383 0 C-N-CA 126.253 1.821 . . . . 10.0 110.436 173.897 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 94.4 mtt-85 -60.46 -45.81 92.36 Favored 'General case' 0 N--CA 1.474 0.749 0 C-N-CA 124.845 1.258 . . . . 10.0 111.769 175.917 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 28' ' ' TYR . . . . . . . . . . . . . 73.4 t80 -59.7 -53.37 58.73 Favored 'General case' 0 CA--C 1.536 0.442 0 C-N-CA 123.945 0.898 . . . . 10.0 112.343 177.805 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 29' ' ' TYR . . . . . . . . . . . . . 79.5 t80 -56.05 -52.72 63.25 Favored 'General case' 0 CA--C 1.535 0.386 0 C-N-CA 124.145 0.978 . . . . 10.0 112.006 175.494 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -50.45 -32.8 18.88 Favored 'General case' 0 CA--C 1.546 0.809 0 N-CA-C 114.209 1.188 . . . . 10.0 114.209 178.686 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -88.75 -28.63 20.38 Favored 'General case' 0 CA--C 1.551 1.003 0 C-N-CA 125.741 1.616 . . . . 10.0 115.068 176.236 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 32' ' ' ASN . . . . . . . . . . . . . 55.7 m-80 -122.97 7.63 9.28 Favored 'General case' 0 CA--C 1.549 0.911 0 N-CA-C 116.289 1.959 . . . . 10.0 116.289 -169.101 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 33' ' ' TYR . . . . . . . . . . . . . 45.6 p90 -45.57 -34.21 3.23 Favored 'General case' 0 N--CA 1.476 0.859 0 C-N-CA 127.417 2.287 . . . . 10.0 115.505 -176.589 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 34' ' ' TRP . . . . . . . . . . . . . 63.3 p-90 -51.94 -34.31 41.35 Favored 'General case' 0 CA--C 1.546 0.8 0 C-N-CA 126.012 1.725 . . . . 10.0 114.497 175.532 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 31.1 mt-30 -67.84 -42.53 81.29 Favored 'General case' 0 N--CA 1.475 0.799 0 C-N-CA 124.21 1.004 . . . . 10.0 112.833 176.225 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 36' ' ' PHE . . . . . . . . . . . . . 76.4 m-85 -69.97 154.61 94.51 Favored Pre-proline 0 CA--C 1.542 0.663 0 C-N-CA 126.547 1.939 . . . . 10.0 114.086 -169.741 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 65.8 Cg_endo -72.9 153.13 52.85 Favored 'Trans proline' 0 CA--C 1.539 0.77 0 C-N-CA 123.024 2.482 . . . . 10.0 109.835 169.021 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 4.1 p30 -115.49 -29.04 6.63 Favored 'General case' 0 N--CA 1.474 0.729 0 C-N-CA 123.9 0.88 . . . . 10.0 111.492 169.882 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . -122.91 166.55 15.29 Favored Glycine 0 CA--C 1.539 1.558 0 C-N-CA 125.477 1.513 . . . . 10.0 110.907 168.36 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 40' ' ' ILE . . . . . . . . . . . . . 97.3 mt -138.71 125.41 25.47 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.956 0 C-N-CA 125.041 1.337 . . . . 10.0 108.492 171.941 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 41' ' ' TYR . . . . . . . . . . . . . 89.7 t80 -74.37 117.18 15.89 Favored 'General case' 0 CA--C 1.536 0.433 0 C-N-CA 124.262 1.025 . . . . 10.0 110.001 169.933 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 42' ' ' TYR . . . . . . . . . . . . . 67.8 t80 -152.9 156.24 38.58 Favored 'General case' 0 CA--C 1.542 0.64 0 C-N-CA 124.715 1.206 . . . . 10.0 111.408 179.591 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 46.5 mt-10 -124.8 95.46 4.52 Favored 'General case' 0 CA--C 1.539 0.546 0 C-N-CA 125.826 1.65 . . . . 10.0 110.072 -177.568 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . -104.91 -64.76 0.66 Allowed Glycine 0 CA--C 1.53 0.997 0 C-N-CA 125.225 1.393 . . . . 10.0 113.838 -170.897 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 45' ' ' CYS . . . . . . . . . . . . . 64.8 m -57.62 117.37 4.13 Favored 'General case' 0 CA--C 1.544 0.748 0 C-N-CA 125.264 1.426 . . . . 10.0 112.001 -178.103 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 23.3 t -140.76 -60.19 0.51 Allowed 'General case' 0 N--CA 1.472 0.64 0 C-N-CA 125.594 1.558 . . . . 10.0 111.981 -175.488 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 11.2 pt-20 -142.53 156.58 45.14 Favored 'General case' 0 N--CA 1.472 0.638 0 C-N-CA 125.074 1.35 . . . . 10.0 112.716 178.963 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -51.84 -31.82 29.27 Favored 'General case' 0 CA--C 1.544 0.721 0 C-N-CA 126.261 1.825 . . . . 10.0 115.265 -175.683 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 79.3 m-20 -64.36 -29.37 70.45 Favored 'General case' 0 CA--C 1.544 0.732 0 C-N-CA 124.767 1.227 . . . . 10.0 113.63 177.737 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . 64.5 t -65.19 111.3 1.3 Allowed 'Isoleucine or valine' 0 N--CA 1.477 0.879 0 C-N-CA 124.498 1.119 . . . . 10.0 109.175 172.365 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 72.3 p -85.0 174.84 9.44 Favored 'General case' 0 N--CA 1.479 1.019 0 C-N-CA 124.545 1.138 . . . . 10.0 112.029 175.187 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 88.2 tttt -60.57 -51.16 70.61 Favored 'General case' 0 N--CA 1.475 0.781 0 O-C-N 121.208 -0.932 . . . . 10.0 110.333 169.488 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 2.3 mp0 -47.51 -50.25 23.89 Favored 'General case' 0 CA--C 1.538 0.483 0 C-N-CA 125.097 1.359 . . . . 10.0 111.792 176.276 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 54' ' ' MET . . . . . . . . . . . . . 95.7 mtp -56.55 -58.78 6.57 Favored 'General case' 0 CA--C 1.536 0.432 0 C-N-CA 124.32 1.048 . . . . 10.0 112.336 171.216 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 6.9 tt -56.62 -54.09 50.05 Favored 'General case' 0 N--CA 1.468 0.442 0 C-N-CA 123.965 0.906 . . . . 10.0 112.32 -174.192 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 62.7 t -56.58 -48.32 80.65 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.779 0 C-N-CA 125.672 1.589 . . . . 10.0 111.053 179.803 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 57' ' ' THR . . . . . . . . . . . . . 87.8 m -60.08 -51.44 69.61 Favored 'General case' 0 N--CA 1.478 0.95 0 C-N-CA 124.355 1.062 . . . . 10.0 111.862 176.459 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 69.5 m -60.21 -36.3 77.37 Favored 'General case' 0 N--CA 1.469 0.52 0 C-N-CA 124.204 1.002 . . . . 10.0 112.845 176.58 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 59' ' ' CYS . . . . . . . . . . . . . 28.7 t -59.07 -50.2 74.97 Favored 'General case' 0 CA--C 1.539 0.521 0 C-N-CA 125.163 1.385 . . . . 10.0 112.648 170.751 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 60' ' ' VAL . . . . . . . . . . . . . 47.1 t -55.2 -49.35 72.9 Favored 'Isoleucine or valine' 0 N--CA 1.479 1.003 0 C-N-CA 123.818 0.847 . . . . 10.0 111.24 172.33 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 61' ' ' ASN . . . . . . . . . . . . . 15.7 m-80 -59.32 -44.0 92.62 Favored 'General case' 0 CA--C 1.545 0.759 0 C-N-CA 124.4 1.08 . . . . 10.0 113.103 176.5 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -61.48 -47.55 85.16 Favored 'General case' 0 CA--C 1.536 0.427 0 C-N-CA 124.151 0.981 . . . . 10.0 111.212 174.74 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 63' ' ' THR . . . . . . . . . . . . . 27.1 m -54.89 -48.98 72.3 Favored 'General case' 0 N--CA 1.472 0.669 0 C-N-CA 124.963 1.305 . . . . 10.0 111.513 175.465 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 64' ' ' GLN . . . . . . . . . . . . . 77.1 mt-30 -51.52 -64.11 0.92 Allowed 'General case' 0 CA--C 1.538 0.506 0 C-N-CA 124.813 1.245 . . . . 10.0 111.5 170.687 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -51.58 -44.02 62.65 Favored 'General case' 0 CA--C 1.544 0.75 0 C-N-CA 126.073 1.749 . . . . 10.0 113.882 -177.994 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -66.87 -28.62 68.48 Favored 'General case' 0 CA--C 1.543 0.685 0 C-N-CA 125.136 1.374 . . . . 10.0 114.381 177.652 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 67' ' ' ASN . . . . . . . . . . . . . 18.6 m-80 -132.12 38.32 3.51 Favored 'General case' 0 CA--C 1.547 0.832 0 CA-C-N 119.641 1.11 . . . . 10.0 113.117 -170.435 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 68' ' ' GLN . . . . . . . . . . . . . 16.4 mm-40 -54.38 -52.85 60.38 Favored 'General case' 0 N--CA 1.475 0.805 0 C-N-CA 125.025 1.33 . . . . 10.0 113.008 -173.162 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -57.9 -46.56 84.75 Favored 'General case' 0 CA--C 1.543 0.681 0 C-N-CA 124.728 1.211 . . . . 10.0 112.741 178.99 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 33.8 mm-40 -54.27 -48.52 71.12 Favored 'General case' 0 N--CA 1.472 0.67 0 C-N-CA 125.085 1.354 . . . . 10.0 111.697 -179.942 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 71' ' ' PHE . . . . . . . . . . . . . 52.7 m-85 -64.01 -61.14 2.46 Favored 'General case' 0 CA--C 1.536 0.433 0 C-N-CA 123.598 0.759 . . . . 10.0 111.877 171.183 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 70.2 m -52.11 -47.49 65.28 Favored 'General case' 0 N--CA 1.474 0.757 0 C-N-CA 125.95 1.7 . . . . 10.0 114.584 -169.816 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 73' ' ' ARG . . . . . . . . . . . . . 29.8 mmt85 -60.81 -47.6 85.62 Favored 'General case' 0 N--CA 1.476 0.842 0 C-N-CA 124.512 1.125 . . . . 10.0 112.466 -179.953 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 14.5 mt-10 -68.52 -46.69 68.88 Favored 'General case' 0 N--CA 1.471 0.599 0 C-N-CA 123.89 0.876 . . . . 10.0 113.341 175.474 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 40.2 ttpt -45.31 -31.53 1.63 Allowed 'General case' 0 N--CA 1.481 1.122 0 C-N-CA 127.844 2.457 . . . . 10.0 115.093 -175.243 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 76' ' ' GLN . . . . . . . . . . . . . 77.6 mm-40 -51.71 -35.14 41.79 Favored 'General case' 0 CA--C 1.545 0.77 0 C-N-CA 125.589 1.556 . . . . 10.0 113.828 174.921 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 31.8 t70 -136.72 -36.78 0.69 Allowed 'General case' 0 N--CA 1.475 0.775 0 C-N-CA 125.633 1.573 . . . . 10.0 114.029 -173.504 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -77.42 53.68 1.07 Allowed 'General case' 0 CA--C 1.547 0.829 0 C-N-CA 127.363 2.265 . . . . 10.0 113.309 -171.176 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 16.4 tppt? -56.75 -51.38 69.09 Favored 'General case' 0 N--CA 1.476 0.831 0 C-N-CA 126.514 1.926 . . . . 10.0 112.969 -174.22 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 38.2 tp -57.44 -45.39 84.74 Favored 'General case' 0 N--CA 1.469 0.507 0 C-N-CA 124.38 1.072 . . . . 10.0 111.828 175.326 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 81' ' ' HIS . . . . . . . . . . . . . 14.1 t-160 -56.86 -53.45 57.74 Favored 'General case' 0 N--CA 1.469 0.505 0 CA-C-O 118.185 -0.912 . . . . 10.0 111.35 175.049 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 82' ' ' GLN . . . . . . . . . . . . . 95.6 mm-40 -48.93 -56.41 8.93 Favored 'General case' 0 N--CA 1.473 0.691 0 C-N-CA 124.432 1.093 . . . . 10.0 112.071 176.093 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 83' ' ' ARG . . . . . . . . . . . . . 51.4 mtp180 -48.21 -57.14 6.34 Favored 'General case' 0 N--CA 1.479 1.023 0 C-N-CA 125.491 1.516 . . . . 10.0 112.735 178.277 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 84' ' ' VAL . . . . . . . . . . . . . 56.3 t -61.73 -51.48 72.16 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.872 0 C-N-CA 125.611 1.565 . . . . 10.0 111.237 178.834 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 85' ' ' LEU . . . . . . . . . . . . . 49.5 tp -55.71 -47.55 76.67 Favored 'General case' 0 N--CA 1.469 0.502 0 C-N-CA 126.203 1.801 . . . . 10.0 112.813 -179.495 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 86' ' ' TRP . . . . . . . . . . . . . 63.2 m95 -62.17 -43.38 98.95 Favored 'General case' 0 N--CA 1.468 0.439 0 N-CA-C 113.786 1.032 . . . . 10.0 113.786 176.7 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 87' ' ' ARG . . . . . . . . . . . . . 24.2 tpt180 -55.45 -46.81 76.76 Favored 'General case' 0 N--CA 1.479 0.979 0 C-N-CA 123.836 0.855 . . . . 10.0 111.467 170.204 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 88' ' ' LEU . . . . . . . . . . . . . 1.9 tt -57.47 -57.14 13.99 Favored 'General case' 0 CA--C 1.546 0.796 0 C-N-CA 124.712 1.205 . . . . 10.0 112.087 174.781 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 89' ' ' ILE . . . . . . . . . . . . . 86.9 mt -50.88 -49.16 27.6 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.818 0 C-N-CA 125.038 1.335 . . . . 10.0 110.913 176.167 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 24.1 tptm -58.23 -45.96 86.8 Favored 'General case' 0 N--CA 1.47 0.539 0 C-N-CA 124.344 1.058 . . . . 10.0 112.905 176.971 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 21.4 mm-40 -56.58 -47.27 79.93 Favored 'General case' 0 N--CA 1.473 0.681 0 CA-C-N 119.624 1.102 . . . . 10.0 112.579 172.433 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 92' ' ' ILE . . . . . . . . . . . . . 97.4 mt -56.22 -54.12 31.48 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.922 0 C-N-CA 123.731 0.813 . . . . 10.0 110.997 172.987 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 93' ' ' CYS . . . . . . . . . . . . . 93.5 m -58.23 -46.43 85.92 Favored 'General case' 0 CA--C 1.545 0.76 0 C-N-CA 123.752 0.821 . . . . 10.0 112.351 179.031 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 21.6 t -52.65 -41.53 63.86 Favored 'General case' 0 N--CA 1.476 0.855 0 C-N-CA 125.724 1.61 . . . . 10.0 113.472 175.567 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . -60.87 -27.01 67.81 Favored 'General case' 0 CA--C 1.548 0.903 0 N-CA-C 114.229 1.196 . . . . 10.0 114.229 177.994 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 96' ' ' LYS . . . . . . . . . . . . . 43.2 mttm -69.05 106.26 2.72 Favored 'General case' 0 N--CA 1.475 0.823 0 C-N-CA 125.266 1.426 . . . . 10.0 111.559 -177.887 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 97' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -123.64 148.51 46.38 Favored 'General case' 0 N--CA 1.469 0.511 0 C-N-CA 126.291 1.836 . . . . 10.0 114.132 -173.978 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 98' ' ' CYS . . . . . . . . . . . . . 32.8 m -113.83 135.32 54.09 Favored 'General case' 0 N--CA 1.47 0.551 0 C-N-CA 124.615 1.166 . . . . 10.0 112.429 -177.289 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 99' ' ' ASP . . . . . . . . . . . . . 32.9 t70 -59.58 -38.65 81.77 Favored 'General case' 0 CA--C 1.542 0.652 0 C-N-CA 125.021 1.328 . . . . 10.0 113.063 177.536 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 100' ' ' PHE . . . . . . . . . . . . . 5.8 p90 -66.74 -15.23 63.4 Favored 'General case' 0 CA--C 1.543 0.695 0 N-CA-C 115.534 1.679 . . . . 10.0 115.534 -176.631 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 101' ' ' TRP . . . . . . . . . . . . . 31.4 m0 -57.82 129.07 40.24 Favored 'General case' 0 N--CA 1.473 0.675 0 CA-C-N 120.02 1.282 . . . . 10.0 114.035 -174.114 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 102' ' ' LEU . . . . . . . . . . . . . 2.3 pt? -146.98 179.09 7.85 Favored 'General case' 0 CA--C 1.545 0.759 0 C-N-CA 128.014 2.526 . . . . 10.0 111.369 -177.611 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 39.4 tt0 -63.08 121.1 12.77 Favored 'General case' 0 CA--C 1.546 0.792 0 C-N-CA 124.032 0.933 . . . . 10.0 111.525 170.437 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 104' ' ' ARG . . . . . . . . . . . . . 9.1 mmm180 -134.75 151.92 51.36 Favored 'General case' 0 N--CA 1.477 0.924 0 C-N-CA 126.277 1.831 . . . . 10.0 111.797 -179.727 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 105' ' ' GLY . . . . . . . . . . . . . . . 179.46 -176.72 47.9 Favored Glycine 0 CA--C 1.536 1.377 0 C-N-CA 125.731 1.634 . . . . 10.0 113.177 -179.404 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 106' ' ' ALA . . . . . . . . . . . . . . . -147.35 163.52 36.19 Favored 'General case' 0 CA--C 1.548 0.87 0 C-N-CA 126.216 1.806 . . . . 10.0 111.698 176.928 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 107' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.253 1.247 0 C-N-CA 126.404 1.882 . . . . 10.0 112.132 178.962 . . . . . . . . 0 0 . 1 . 015 nuclear build full ' A' A ' 1' ' ' ARG . . . . . . . . . . . . . 9.6 ptm180 . . . . . 0 N--CA 1.49 1.563 0 N-CA-C 111.395 0.146 . . . . 10.0 111.395 . . . . . . . . . 0 0 . 1 . 015 nuclear build full ' A' A ' 2' ' ' VAL . . . . . . . . . . . . . 7.2 p -62.8 148.75 10.76 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.056 0 C-N-CA 124.398 1.079 . . . . 10.0 111.909 174.587 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -143.24 -176.0 4.75 Favored 'General case' 0 CA--C 1.545 0.762 0 C-N-CA 125.475 1.51 . . . . 10.0 112.272 -178.19 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 13.0 pt-20 -66.84 -15.44 63.62 Favored 'General case' 0 N--CA 1.475 0.798 0 C-N-CA 126.055 1.742 . . . . 10.0 113.966 172.48 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 5' ' ' ASN . . . . . . . . . . . . . 1.0 OUTLIER -121.92 59.56 0.99 Allowed 'General case' 0 CA--C 1.544 0.735 0 C-N-CA 126.327 1.851 . . . . 10.0 109.03 177.845 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 24.8 ptt-85 -86.4 146.37 41.95 Favored Pre-proline 0 N--CA 1.474 0.773 0 C-N-CA 127.925 2.49 . . . . 10.0 112.069 176.869 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 7' ' ' PRO . . . . . . . . . . . . . 73.4 Cg_exo -49.12 117.59 2.94 Favored 'Trans proline' 0 CA--C 1.54 0.799 0 C-N-CA 123.789 2.993 . . . . 10.0 113.087 176.42 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . 115.44 -20.37 13.82 Favored Glycine 0 CA--C 1.538 1.478 0 C-N-CA 127.252 2.358 . . . . 10.0 113.968 -170.681 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -59.86 134.99 57.55 Favored 'General case' 0 CA--C 1.544 0.732 0 CA-C-N 119.505 1.652 . . . . 10.0 113.19 -172.11 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 10' ' ' PHE . . . . . . . . . . . . . 21.1 m-85 -60.91 148.4 39.79 Favored 'General case' 0 CA--C 1.54 0.588 0 C-N-CA 123.598 0.759 . . . . 10.0 112.874 173.547 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 68.4 mt -118.67 98.23 6.21 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.519 0 C-N-CA 125.952 1.701 . . . . 10.0 106.562 169.623 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 85.6 mttt -93.1 97.5 10.72 Favored 'General case' 0 N--CA 1.473 0.701 0 C-N-CA 125.153 1.381 . . . . 10.0 110.383 -177.2 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 27.0 mt-30 -90.18 -16.1 30.16 Favored 'General case' 0 N--CA 1.472 0.667 0 C-N-CA 124.449 1.1 . . . . 10.0 112.486 174.548 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . 78.02 7.47 87.56 Favored Glycine 0 CA--C 1.537 1.439 0 C-N-CA 125.027 1.299 . . . . 10.0 114.429 -178.535 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 42.7 ttp180 -70.4 125.04 25.68 Favored 'General case' 0 N--CA 1.471 0.581 0 C-N-CA 126.711 2.004 . . . . 10.0 111.109 178.478 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 59.5 tttm -72.0 107.72 4.86 Favored 'General case' 0 N--CA 1.473 0.705 0 C-N-CA 124.83 1.252 . . . . 10.0 110.322 173.174 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 95.4 mt -75.28 172.75 11.88 Favored 'General case' 0 CA--C 1.544 0.713 0 C-N-CA 125.767 1.627 . . . . 10.0 112.538 178.233 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 19.1 t0 -123.09 91.06 3.41 Favored 'General case' 0 CA--C 1.541 0.625 0 C-N-CA 125.97 1.708 . . . . 10.0 110.191 175.141 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . 70.9 mt -133.14 126.32 52.91 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.634 0 C-N-CA 127.241 2.216 . . . . 10.0 107.804 -178.058 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 23.2 t0 -83.96 86.18 7.22 Favored 'General case' 0 CA--C 1.537 0.473 0 CA-C-O 122.026 0.917 . . . . 10.0 110.223 170.037 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 21' ' ' PHE . . . . . . . . . . . . . 86.3 m-85 -62.08 -46.4 89.24 Favored 'General case' 0 CA--C 1.539 0.543 0 C-N-CA 125.999 1.72 . . . . 10.0 110.944 170.32 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 132.7 162.65 10.34 Favored Glycine 0 CA--C 1.532 1.141 0 C-N-CA 127.359 2.409 . . . . 10.0 110.36 -169.578 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -42.96 -55.75 3.61 Favored 'General case' 0 CA--C 1.545 0.787 0 N-CA-C 115.414 1.635 . . . . 10.0 115.414 -169.805 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 8.4 mm-40 -64.12 -50.13 69.47 Favored 'General case' 0 N--CA 1.473 0.704 0 O-C-N 121.508 -0.745 . . . . 10.0 112.112 178.401 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -64.51 -39.6 96.97 Favored Glycine 0 CA--C 1.529 0.945 0 C-N-CA 124.291 0.948 . . . . 10.0 114.002 -177.058 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 89.3 m-20 -56.56 -51.14 69.73 Favored 'General case' 0 CA--C 1.535 0.392 0 C-N-CA 125.904 1.682 . . . . 10.0 110.251 172.937 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 69.3 mtm180 -63.72 -43.2 97.24 Favored 'General case' 0 N--CA 1.474 0.767 0 C-N-CA 123.599 0.76 . . . . 10.0 112.03 177.836 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 28' ' ' TYR . . . . . . . . . . . . . 77.0 t80 -59.54 -53.47 57.75 Favored 'General case' 0 CA--C 1.537 0.474 0 C-N-CA 123.996 0.918 . . . . 10.0 111.772 176.784 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 29' ' ' TYR . . . . . . . . . . . . . 77.4 t80 -57.12 -52.25 66.04 Favored 'General case' 0 CA--C 1.536 0.415 0 C-N-CA 124.752 1.221 . . . . 10.0 112.14 177.216 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -49.68 -36.6 25.59 Favored 'General case' 0 CA--C 1.547 0.836 0 N-CA-C 113.952 1.093 . . . . 10.0 113.952 176.813 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -85.36 -20.58 29.7 Favored 'General case' 0 CA--C 1.551 1.0 0 N-CA-C 115.219 1.563 . . . . 10.0 115.219 176.734 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 32' ' ' ASN . . . . . . . . . . . . . 60.9 m-80 -131.53 8.44 4.59 Favored 'General case' 0 N--CA 1.477 0.893 0 N-CA-C 116.65 2.093 . . . . 10.0 116.65 -169.185 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 33' ' ' TYR . . . . . . . . . . . . . 50.2 p90 -50.77 -29.64 12.06 Favored 'General case' 0 N--CA 1.478 0.971 0 C-N-CA 125.887 1.675 . . . . 10.0 115.269 -174.532 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 34' ' ' TRP . . . . . . . . . . . . . 64.8 p-90 -50.98 -34.64 29.85 Favored 'General case' 0 CA--C 1.545 0.781 0 C-N-CA 125.959 1.704 . . . . 10.0 114.335 173.335 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 31.3 mt-30 -70.46 -36.74 74.08 Favored 'General case' 0 N--CA 1.474 0.774 0 C-N-CA 124.676 1.191 . . . . 10.0 113.825 177.675 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 36' ' ' PHE . . . . . . . . . . . . . 78.0 m-85 -74.34 157.94 85.89 Favored Pre-proline 0 CA--C 1.546 0.812 0 C-N-CA 126.71 2.004 . . . . 10.0 114.976 -169.297 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 60.4 Cg_endo -73.37 156.55 50.4 Favored 'Trans proline' 0 CA--C 1.541 0.872 0 C-N-CA 123.719 2.946 . . . . 10.0 111.524 169.661 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 11.9 t70 -109.86 -38.28 5.4 Favored 'General case' 0 N--CA 1.473 0.676 0 C-N-CA 125.726 1.61 . . . . 10.0 111.03 171.232 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . -128.23 175.29 18.57 Favored Glycine 0 CA--C 1.535 1.312 0 C-N-CA 126.006 1.765 . . . . 10.0 111.993 169.795 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 40' ' ' ILE . . . . . . . . . . . . . 96.6 mt -135.32 125.61 43.78 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.679 0 C-N-CA 125.335 1.454 . . . . 10.0 108.524 174.611 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 41' ' ' TYR . . . . . . . . . . . . . 88.8 t80 -72.52 97.74 2.16 Favored 'General case' 0 CA--C 1.535 0.398 0 C-N-CA 124.222 1.009 . . . . 10.0 109.586 169.98 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 42' ' ' TYR . . . . . . . . . . . . . 63.4 t80 -150.73 133.31 15.68 Favored 'General case' 0 CA--C 1.534 0.362 0 C-N-CA 123.819 0.848 . . . . 10.0 111.337 174.675 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 48.7 mt-10 -128.97 64.98 1.45 Allowed 'General case' 0 CA--C 1.54 0.574 0 C-N-CA 125.747 1.619 . . . . 10.0 110.222 -175.764 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . -60.98 -44.85 97.67 Favored Glycine 0 CA--C 1.533 1.208 0 C-N-CA 125.22 1.391 . . . . 10.0 113.237 177.323 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 45' ' ' CYS . . . . . . . . . . . . . 56.7 m -61.11 135.49 57.78 Favored 'General case' 0 CA--C 1.541 0.605 0 C-N-CA 126.102 1.761 . . . . 10.0 113.757 179.404 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 22.8 t -147.3 -47.23 0.17 Allowed 'General case' 0 N--CA 1.473 0.675 0 C-N-CA 126.343 1.857 . . . . 10.0 111.218 176.907 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 11.4 pt-20 -137.06 158.53 44.25 Favored 'General case' 0 CA--C 1.542 0.641 0 C-N-CA 126.577 1.951 . . . . 10.0 111.852 179.71 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -52.61 -25.65 11.3 Favored 'General case' 0 CA--C 1.546 0.79 0 C-N-CA 126.202 1.801 . . . . 10.0 115.594 -175.206 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 74.6 m-20 -61.49 -30.78 70.83 Favored 'General case' 0 CA--C 1.544 0.738 0 C-N-CA 124.466 1.106 . . . . 10.0 113.27 174.07 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . 61.6 t -71.19 108.16 2.7 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.833 0 C-N-CA 124.359 1.064 . . . . 10.0 109.752 172.392 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 82.6 p -89.67 174.56 7.67 Favored 'General case' 0 N--CA 1.475 0.782 0 C-N-CA 124.78 1.232 . . . . 10.0 112.246 179.753 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 85.0 tttt -58.88 -57.04 14.79 Favored 'General case' 0 N--CA 1.472 0.628 0 C-N-CA 123.705 0.802 . . . . 10.0 111.434 169.807 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 12.2 pt-20 -51.79 -40.19 59.94 Favored 'General case' 0 N--CA 1.474 0.745 0 C-N-CA 124.412 1.085 . . . . 10.0 113.056 177.365 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 54' ' ' MET . . . . . . . . . . . . . 88.6 mtp -60.13 -54.17 49.13 Favored 'General case' 0 N--CA 1.47 0.573 0 C-N-CA 123.399 0.68 . . . . 10.0 111.492 169.331 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 8.3 tt -56.27 -49.74 73.38 Favored 'General case' 0 CA--C 1.533 0.309 0 CA-C-O 117.819 -1.086 . . . . 10.0 113.163 -178.977 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 56' ' ' VAL . . . . . 0.487 HG22 ' HA ' ' A' ' 94' ' ' SER . 22.6 t -55.58 -52.22 49.69 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.076 0 CA-C-N 120.431 1.468 . . . . 10.0 111.052 -177.455 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 57' ' ' THR . . . . . . . . . . . . . 31.8 m -59.99 -50.44 73.75 Favored 'General case' 0 N--CA 1.473 0.721 0 C-N-CA 124.976 1.311 . . . . 10.0 111.636 177.681 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 21.7 m -62.32 -38.4 89.29 Favored 'General case' 0 N--CA 1.472 0.627 0 C-N-CA 124.088 0.955 . . . . 10.0 112.569 179.676 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 59' ' ' CYS . . . . . . . . . . . . . 39.5 t -59.56 -50.05 75.41 Favored 'General case' 0 CA--C 1.534 0.355 0 C-N-CA 126.631 1.972 . . . . 10.0 112.253 173.427 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 60' ' ' VAL . . . . . . . . . . . . . 52.0 t -53.95 -50.01 56.14 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.028 0 CA-C-N 119.17 0.895 . . . . 10.0 111.37 171.74 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 61' ' ' ASN . . . . . . . . . . . . . 20.9 m-80 -58.79 -46.11 88.31 Favored 'General case' 0 CA--C 1.545 0.773 0 C-N-CA 124.58 1.152 . . . . 10.0 113.192 176.46 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -61.0 -47.58 85.82 Favored 'General case' 0 CA--C 1.537 0.479 0 C-N-CA 124.177 0.991 . . . . 10.0 111.271 175.179 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 63' ' ' THR . . . . . . . . . . . . . 31.0 m -55.18 -49.03 72.92 Favored 'General case' 0 N--CA 1.471 0.605 0 C-N-CA 125.287 1.435 . . . . 10.0 111.532 177.215 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 64' ' ' GLN . . . . . . . . . . . . . 66.5 mt-30 -49.56 -60.35 2.94 Favored 'General case' 0 N--CA 1.47 0.559 0 C-N-CA 124.821 1.248 . . . . 10.0 112.006 170.865 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -56.7 -42.05 78.43 Favored 'General case' 0 CA--C 1.544 0.724 0 C-N-CA 125.633 1.573 . . . . 10.0 113.817 -178.735 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -70.21 -46.5 64.41 Favored 'General case' 0 CA--C 1.54 0.574 0 C-N-CA 124.792 1.237 . . . . 10.0 113.879 -179.856 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 67' ' ' ASN . . . . . . . . . . . . . 9.7 m-80 -109.22 38.87 2.19 Favored 'General case' 0 CA--C 1.544 0.726 0 C-N-CA 124.445 1.098 . . . . 10.0 112.199 -169.692 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 68' ' ' GLN . . . . . . . . . . . . . 57.1 mt-30 -51.35 -48.07 62.57 Favored 'General case' 0 N--CA 1.471 0.622 0 C-N-CA 125.534 1.533 . . . . 10.0 112.912 -178.256 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -56.48 -46.33 80.49 Favored 'General case' 0 CA--C 1.543 0.684 0 C-N-CA 125.003 1.321 . . . . 10.0 113.32 179.724 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 8.1 mm-40 -56.07 -55.26 35.1 Favored 'General case' 0 N--CA 1.473 0.697 0 C-N-CA 124.986 1.314 . . . . 10.0 111.234 177.805 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 71' ' ' PHE . . . . . . . . . . . . . 25.2 m-85 -59.62 -50.58 73.33 Favored 'General case' 0 CA--C 1.536 0.441 0 C-N-CA 123.95 0.9 . . . . 10.0 112.0 176.603 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 70.4 m -54.61 -50.71 67.43 Favored 'General case' 0 N--CA 1.474 0.763 0 C-N-CA 125.206 1.403 . . . . 10.0 113.231 -179.487 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 73' ' ' ARG . . . . . . . . . . . . . 26.1 mtm105 -58.25 -53.55 57.06 Favored 'General case' 0 N--CA 1.475 0.818 0 C-N-CA 124.551 1.14 . . . . 10.0 112.41 177.017 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 42.1 mm-40 -69.45 -59.55 2.91 Favored 'General case' 0 CA--C 1.541 0.612 0 C-N-CA 124.28 1.032 . . . . 10.0 113.742 -175.896 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 85.5 tttt -46.17 -35.05 4.74 Favored 'General case' 0 N--CA 1.481 1.12 0 C-N-CA 127.65 2.38 . . . . 10.0 116.167 -169.701 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 76' ' ' GLN . . . . . . . . . . . . . 87.4 mm-40 -54.98 -27.61 45.35 Favored 'General case' 0 CA--C 1.546 0.802 0 C-N-CA 124.871 1.268 . . . . 10.0 114.252 176.999 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 32.2 t70 -135.76 -40.31 0.7 Allowed 'General case' 0 N--CA 1.475 0.778 0 C-N-CA 125.502 1.521 . . . . 10.0 113.549 -178.907 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -78.59 61.38 2.92 Favored 'General case' 0 CA--C 1.545 0.763 0 C-N-CA 127.714 2.406 . . . . 10.0 113.288 -169.993 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 88.0 tttt -53.75 -55.03 29.91 Favored 'General case' 0 N--CA 1.476 0.873 0 C-N-CA 126.826 2.05 . . . . 10.0 112.869 -176.853 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -55.58 -49.97 71.33 Favored 'General case' 0 N--CA 1.472 0.647 0 C-N-CA 124.95 1.3 . . . . 10.0 111.08 177.502 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 81' ' ' HIS . . . . . . . . . . . . . 13.0 t-160 -53.36 -54.0 42.94 Favored 'General case' 0 N--CA 1.468 0.451 0 C-N-CA 124.132 0.973 . . . . 10.0 112.147 -179.65 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 82' ' ' GLN . . . . . . . . . . . . . 93.7 mm-40 -50.87 -54.73 21.42 Favored 'General case' 0 N--CA 1.472 0.653 0 CA-C-N 118.891 0.769 . . . . 10.0 112.389 179.182 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 83' ' ' ARG . . . . . . . . . . . . . 3.6 tmt_? -50.59 -55.02 18.18 Favored 'General case' 0 N--CA 1.474 0.771 0 C-N-CA 125.043 1.337 . . . . 10.0 111.745 179.81 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 84' ' ' VAL . . . . . . . . . . . . . 44.7 t -60.43 -51.95 67.07 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.975 0 C-N-CA 126.085 1.754 . . . . 10.0 111.475 177.553 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 85' ' ' LEU . . . . . . . . . . . . . 50.3 tp -55.22 -49.19 72.59 Favored 'General case' 0 CA--C 1.537 0.478 0 C-N-CA 126.112 1.765 . . . . 10.0 112.722 179.016 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 86' ' ' TRP . . . . . . . . . . . . . 71.7 m95 -61.09 -42.63 98.86 Favored 'General case' 0 N--CA 1.468 0.471 0 N-CA-C 113.663 0.986 . . . . 10.0 113.663 175.678 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 87' ' ' ARG . . . . . . . . . . . . . 13.8 tpt180 -55.88 -50.21 71.26 Favored 'General case' 0 N--CA 1.475 0.778 0 CA-C-N 118.591 0.632 . . . . 10.0 111.267 169.895 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 88' ' ' LEU . . . . . . . . . . . . . 2.2 tt -55.55 -52.37 63.96 Favored 'General case' 0 CA--C 1.544 0.747 0 C-N-CA 124.78 1.232 . . . . 10.0 111.958 176.38 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 89' ' ' ILE . . . . . . . . . . . . . 72.9 mt -50.39 -51.05 19.64 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.703 0 C-N-CA 124.813 1.245 . . . . 10.0 110.938 173.742 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 39.4 ttmt -59.75 -44.84 93.65 Favored 'General case' 0 N--CA 1.472 0.66 0 C-N-CA 124.068 0.947 . . . . 10.0 113.27 176.242 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 76.7 mm-40 -52.24 -50.1 62.69 Favored 'General case' 0 N--CA 1.474 0.727 0 CA-C-N 119.74 1.154 . . . . 10.0 111.803 171.061 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 92' ' ' ILE . . . . . . . . . . . . . 97.4 mt -58.28 -56.23 17.41 Favored 'Isoleucine or valine' 0 N--CA 1.479 0.976 0 CA-C-N 119.422 1.01 . . . . 10.0 111.463 174.274 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 93' ' ' CYS . . . . . . . . . . . . . 92.4 m -56.74 -43.21 80.47 Favored 'General case' 0 CA--C 1.545 0.755 0 C-N-CA 124.715 1.206 . . . . 10.0 112.898 -177.399 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 94' ' ' SER . . . . . 0.487 ' HA ' HG22 ' A' ' 56' ' ' VAL . 78.9 p -71.43 -37.56 71.44 Favored 'General case' 0 N--CA 1.475 0.822 0 N-CA-C 114.219 1.192 . . . . 10.0 114.219 174.372 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . -64.16 -52.08 60.77 Favored 'General case' 0 CA--C 1.541 0.602 0 C-N-CA 124.324 1.049 . . . . 10.0 113.24 177.63 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 96' ' ' LYS . . . . . . . . . . . . . 6.9 ptmm? -60.51 136.08 57.94 Favored 'General case' 0 N--CA 1.478 0.956 0 C-N-CA 123.871 0.869 . . . . 10.0 112.792 -174.055 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 97' ' ' HIS . . . . . . . . . . . . . 10.7 m80 -124.37 168.24 13.29 Favored 'General case' 0 N--CA 1.481 1.082 0 C-N-CA 126.5 1.92 . . . . 10.0 113.254 -172.185 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 98' ' ' CYS . . . . . . . . . . . . . 57.2 m -127.64 138.03 52.71 Favored 'General case' 0 CA--C 1.538 0.512 0 C-N-CA 126.213 1.805 . . . . 10.0 111.857 -179.479 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 99' ' ' ASP . . . . . . . . . . . . . 31.5 t70 -57.97 -45.15 87.17 Favored 'General case' 0 N--CA 1.472 0.642 0 C-N-CA 125.423 1.489 . . . . 10.0 113.697 -173.177 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 100' ' ' PHE . . . . . . . . . . . . . 9.3 p90 -72.18 -12.13 61.04 Favored 'General case' 0 CA--C 1.542 0.671 0 N-CA-C 115.231 1.567 . . . . 10.0 115.231 -175.379 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 101' ' ' TRP . . . . . . . . . . . . . 32.3 m0 -55.96 119.16 5.41 Favored 'General case' 0 N--CA 1.474 0.763 0 CA-C-N 119.995 1.271 . . . . 10.0 112.792 -176.937 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 102' ' ' LEU . . . . . . . . . . . . . 72.2 mt -79.31 158.6 27.46 Favored 'General case' 0 CA--C 1.542 0.644 0 C-N-CA 126.392 1.877 . . . . 10.0 112.451 -170.508 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 38.4 tt0 -65.04 139.17 58.71 Favored 'General case' 0 CA--C 1.546 0.821 0 C-N-CA 124.561 1.145 . . . . 10.0 111.891 174.801 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 104' ' ' ARG . . . . . . . . . . . . . 80.2 mtp180 -130.92 151.42 51.35 Favored 'General case' 0 N--CA 1.478 0.963 0 C-N-CA 126.371 1.868 . . . . 10.0 111.32 179.34 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 105' ' ' GLY . . . . . . . . . . . . . . . -174.48 173.41 46.05 Favored Glycine 0 CA--C 1.535 1.326 0 C-N-CA 125.324 1.44 . . . . 10.0 113.184 -179.768 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 106' ' ' ALA . . . . . . . . . . . . . . . -146.65 165.26 30.11 Favored 'General case' 0 CA--C 1.547 0.855 0 C-N-CA 125.656 1.582 . . . . 10.0 112.312 -179.037 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 107' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.253 1.273 0 C-N-CA 125.697 1.599 . . . . 10.0 113.144 176.53 . . . . . . . . 0 0 . 1 . 016 nuclear build full ' A' A ' 1' ' ' ARG . . . . . . . . . . . . . 44.5 ttm105 . . . . . 0 N--CA 1.489 1.488 0 N-CA-C 110.126 -0.324 . . . . 10.0 110.126 . . . . . . . . . 0 0 . 1 . 016 nuclear build full ' A' A ' 2' ' ' VAL . . . . . . . . . . . . . 59.5 t -65.01 124.03 19.07 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.082 0 C-N-CA 124.859 1.264 . . . . 10.0 110.64 178.934 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -70.04 158.07 36.36 Favored 'General case' 0 CA--C 1.543 0.692 0 C-N-CA 124.71 1.204 . . . . 10.0 113.27 178.404 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 10.4 pt-20 -67.5 130.71 43.91 Favored 'General case' 0 CA--C 1.541 0.614 0 C-N-CA 123.566 0.746 . . . . 10.0 111.259 169.738 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 5' ' ' ASN . . . . . . . . . . . . . 49.2 t30 -76.75 64.19 2.29 Favored 'General case' 0 CA--C 1.55 0.952 0 C-N-CA 124.408 1.083 . . . . 10.0 111.804 177.798 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 12.3 ptp180 -76.28 151.14 83.34 Favored Pre-proline 0 N--CA 1.477 0.888 0 C-N-CA 124.901 1.281 . . . . 10.0 111.745 171.3 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 7' ' ' PRO . . . . . . . . . . . . . 74.0 Cg_exo -48.84 121.12 6.15 Favored 'Trans proline' 0 CA--C 1.539 0.75 0 C-N-CA 123.403 2.735 . . . . 10.0 112.341 172.377 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . 112.4 -18.16 23.24 Favored Glycine 0 CA--C 1.538 1.477 0 C-N-CA 126.597 2.046 . . . . 10.0 114.462 -170.482 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -61.36 134.11 56.56 Favored 'General case' 0 CA--C 1.546 0.8 0 CA-C-N 119.609 1.704 . . . . 10.0 113.019 -174.055 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 10' ' ' PHE . . . . . . . . . . . . . 23.0 m-85 -61.54 150.84 34.74 Favored 'General case' 0 CA--C 1.542 0.669 0 C-N-CA 124.042 0.937 . . . . 10.0 112.884 175.027 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 81.6 mt -123.94 116.27 47.49 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.426 0 C-N-CA 125.8 1.64 . . . . 10.0 106.836 169.655 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 92.3 mttt -123.68 106.89 10.91 Favored 'General case' 0 N--CA 1.472 0.659 0 C-N-CA 126.496 1.918 . . . . 10.0 110.284 -172.918 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 34.3 mt-30 -120.55 -0.89 10.19 Favored 'General case' 0 CA--C 1.545 0.763 0 C-N-CA 128.097 2.559 . . . . 10.0 112.595 -169.972 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . 66.75 37.17 92.17 Favored Glycine 0 CA--C 1.535 1.306 0 C-N-CA 125.133 1.349 . . . . 10.0 112.786 -174.116 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 33.0 ttp85 -103.91 93.96 5.16 Favored 'General case' 0 N--CA 1.471 0.62 0 C-N-CA 126.192 1.797 . . . . 10.0 110.893 -171.476 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 72.6 tttt -64.32 124.08 20.8 Favored 'General case' 0 N--CA 1.473 0.7 0 C-N-CA 125.765 1.626 . . . . 10.0 110.17 174.217 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 2.7 pp -134.5 165.91 24.09 Favored 'General case' 0 N--CA 1.474 0.736 0 C-N-CA 124.734 1.214 . . . . 10.0 113.569 -174.494 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 22.3 t70 -100.08 106.94 18.73 Favored 'General case' 0 CA--C 1.543 0.707 0 C-N-CA 124.711 1.205 . . . . 10.0 113.261 -169.663 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . 73.4 mt -135.78 131.13 50.12 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.778 0 C-N-CA 127.43 2.292 . . . . 10.0 108.076 172.409 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 22.4 t0 -87.48 85.45 7.12 Favored 'General case' 0 N--CA 1.471 0.577 0 CA-C-O 121.982 0.896 . . . . 10.0 110.683 171.457 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 21' ' ' PHE . . . . . . . . . . . . . 79.6 m-85 -63.48 -41.74 98.57 Favored 'General case' 0 CA--C 1.541 0.598 0 C-N-CA 126.725 2.01 . . . . 10.0 112.008 172.796 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 130.76 159.28 9.56 Favored Glycine 0 CA--C 1.532 1.139 0 C-N-CA 127.479 2.466 . . . . 10.0 110.303 -169.582 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -42.21 -57.11 2.64 Favored 'General case' 0 CA--C 1.547 0.851 0 N-CA-C 115.398 1.629 . . . . 10.0 115.398 -169.739 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 46.9 mt-10 -63.61 -48.04 78.96 Favored 'General case' 0 N--CA 1.474 0.773 0 C-N-CA 124.221 1.008 . . . . 10.0 112.284 178.754 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -65.17 -39.26 96.06 Favored Glycine 0 CA--C 1.532 1.142 0 C-N-CA 124.539 1.066 . . . . 10.0 114.183 -179.368 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 91.0 m-20 -57.11 -52.14 66.48 Favored 'General case' 0 CA--C 1.534 0.364 0 C-N-CA 125.995 1.718 . . . . 10.0 110.212 173.752 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 80.2 mtp180 -58.92 -46.47 87.84 Favored 'General case' 0 N--CA 1.474 0.751 0 C-N-CA 125.056 1.342 . . . . 10.0 111.691 176.103 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 28' ' ' TYR . . . . . . . . . . . . . 79.8 t80 -59.22 -54.62 44.77 Favored 'General case' 0 CA--C 1.536 0.415 0 C-N-CA 124.403 1.081 . . . . 10.0 111.976 178.106 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 29' ' ' TYR . . . . . . . . . . . . . 87.1 t80 -56.32 -51.4 68.38 Favored 'General case' 0 CA--C 1.535 0.39 0 C-N-CA 124.319 1.048 . . . . 10.0 112.324 175.662 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -51.1 -34.03 28.73 Favored 'General case' 0 CA--C 1.546 0.797 0 N-CA-C 113.678 0.992 . . . . 10.0 113.678 178.954 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -88.23 -28.55 21.07 Favored 'General case' 0 CA--C 1.552 1.035 0 C-N-CA 125.836 1.654 . . . . 10.0 115.087 176.026 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 32' ' ' ASN . . . . . . . . . . . . . 52.2 m-80 -124.41 12.47 8.75 Favored 'General case' 0 CA--C 1.548 0.9 0 N-CA-C 116.263 1.949 . . . . 10.0 116.263 -169.231 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 33' ' ' TYR . . . . . . . . . . . . . 53.4 p90 -47.91 -34.68 9.37 Favored 'General case' 0 N--CA 1.476 0.859 0 C-N-CA 126.828 2.051 . . . . 10.0 114.957 -177.21 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 34' ' ' TRP . . . . . . . . . . . . . 66.5 p-90 -49.89 -33.95 18.78 Favored 'General case' 0 CA--C 1.545 0.765 0 C-N-CA 126.356 1.862 . . . . 10.0 114.388 176.112 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 32.1 mt-30 -68.97 -38.58 79.45 Favored 'General case' 0 N--CA 1.472 0.654 0 C-N-CA 124.634 1.174 . . . . 10.0 113.756 177.575 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 36' ' ' PHE . . . . . . . . . . . . . 72.5 m-85 -73.64 151.6 89.24 Favored Pre-proline 0 CA--C 1.545 0.764 0 C-N-CA 126.161 1.784 . . . . 10.0 115.2 -169.008 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 83.1 Cg_endo -74.76 116.74 4.7 Favored 'Trans proline' 0 CA--C 1.537 0.652 0 C-N-CA 123.692 2.928 . . . . 10.0 108.898 168.798 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 4.2 p30 -80.57 -30.3 37.0 Favored 'General case' 0 N--CA 1.473 0.687 0 O-C-N 121.353 -0.842 . . . . 10.0 111.764 173.877 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . -124.55 167.42 16.88 Favored Glycine 0 CA--C 1.536 1.355 0 C-N-CA 125.037 1.303 . . . . 10.0 111.742 169.194 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 40' ' ' ILE . . . . . . . . . . . . . 86.0 mt -138.66 125.19 25.25 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.764 0 C-N-CA 124.947 1.299 . . . . 10.0 108.442 172.509 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 41' ' ' TYR . . . . . . . . . . . . . 75.0 t80 -71.85 102.94 3.0 Favored 'General case' 0 CA--C 1.536 0.424 0 C-N-CA 123.695 0.798 . . . . 10.0 109.832 169.892 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 42' ' ' TYR . . . . . . . . . . . . . 87.4 t80 -156.61 137.56 13.51 Favored 'General case' 0 C--O 1.236 0.361 0 C-N-CA 124.878 1.271 . . . . 10.0 110.172 173.171 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 45.4 mt-10 -133.01 76.16 1.67 Allowed 'General case' 0 CA--C 1.54 0.558 0 C-N-CA 125.569 1.548 . . . . 10.0 110.494 -175.245 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . -72.48 -30.42 64.48 Favored Glycine 0 CA--C 1.535 1.293 0 C-N-CA 125.091 1.329 . . . . 10.0 114.235 -179.782 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 45' ' ' CYS . . . . . . . . . . . . . 74.7 m -58.29 121.14 10.04 Favored 'General case' 0 CA--C 1.543 0.688 0 C-N-CA 125.858 1.663 . . . . 10.0 112.796 -178.137 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 16.5 p -139.94 -59.47 0.55 Allowed 'General case' 0 N--CA 1.473 0.693 0 C-N-CA 126.189 1.796 . . . . 10.0 111.855 176.912 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 11.9 pt-20 -144.91 156.1 43.8 Favored 'General case' 0 N--CA 1.473 0.693 0 C-N-CA 125.679 1.592 . . . . 10.0 112.79 179.679 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -55.05 -23.02 18.02 Favored 'General case' 0 CA--C 1.543 0.704 0 N-CA-C 115.742 1.756 . . . . 10.0 115.742 -175.414 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 73.9 m-20 -59.57 -31.39 69.4 Favored 'General case' 0 CA--C 1.545 0.77 0 C-N-CA 123.774 0.83 . . . . 10.0 112.944 171.943 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . 60.4 t -67.84 109.88 1.75 Allowed 'Isoleucine or valine' 0 N--CA 1.474 0.758 0 C-N-CA 124.717 1.207 . . . . 10.0 109.345 169.89 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 41.9 p -80.7 172.01 14.3 Favored 'General case' 0 N--CA 1.475 0.784 0 C-N-CA 123.591 0.756 . . . . 10.0 111.513 174.452 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 83.8 tttt -60.53 -49.56 77.08 Favored 'General case' 0 N--CA 1.471 0.599 0 O-C-N 121.368 -0.832 . . . . 10.0 111.429 169.823 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 44.4 mt-10 -51.58 -47.77 63.39 Favored 'General case' 0 N--CA 1.473 0.705 0 C-N-CA 123.849 0.86 . . . . 10.0 112.216 175.756 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 54' ' ' MET . . . . . . . . . . . . . 94.8 mtp -55.29 -55.61 29.49 Favored 'General case' 0 N--CA 1.469 0.485 0 C-N-CA 124.098 0.959 . . . . 10.0 112.228 171.303 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 9.5 tt -58.54 -54.02 51.79 Favored 'General case' 0 N--CA 1.466 0.374 0 C-N-CA 123.954 0.901 . . . . 10.0 112.883 -177.746 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 29.3 t -58.87 -45.98 91.42 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.922 0 C-N-CA 124.034 0.934 . . . . 10.0 110.732 -177.238 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 57' ' ' THR . . . . . . . . . . . . . 61.4 m -57.62 -51.75 68.25 Favored 'General case' 0 N--CA 1.477 0.886 0 C-N-CA 124.367 1.067 . . . . 10.0 111.919 172.77 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 48.6 m -60.2 -40.93 91.81 Favored 'General case' 0 N--CA 1.474 0.75 0 C-N-CA 124.522 1.129 . . . . 10.0 112.683 179.057 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 59' ' ' CYS . . . . . . . . . . . . . 43.0 t -59.39 -50.24 74.74 Favored 'General case' 0 CA--C 1.536 0.436 0 C-N-CA 126.204 1.801 . . . . 10.0 112.381 172.991 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 60' ' ' VAL . . . . . . . . . . . . . 39.9 t -56.34 -43.84 78.26 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.95 0 C-N-CA 124.488 1.115 . . . . 10.0 111.785 172.638 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 61' ' ' ASN . . . . . . . . . . . . . 12.6 m-80 -61.31 -47.27 86.71 Favored 'General case' 0 CA--C 1.544 0.724 0 C-N-CA 124.414 1.086 . . . . 10.0 112.956 173.26 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -60.09 -46.5 89.4 Favored 'General case' 0 CA--C 1.537 0.473 0 C-N-CA 124.251 1.02 . . . . 10.0 111.496 175.968 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 63' ' ' THR . . . . . . . . . . . . . 30.9 m -55.04 -50.94 67.84 Favored 'General case' 0 N--CA 1.473 0.695 0 C-N-CA 125.264 1.425 . . . . 10.0 111.369 176.356 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 64' ' ' GLN . . . . . . . . . . . . . 42.2 mt-30 -51.21 -59.49 4.14 Favored 'General case' 0 CA--C 1.539 0.533 0 C-N-CA 124.222 1.009 . . . . 10.0 111.663 171.927 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -55.7 -42.85 75.83 Favored 'General case' 0 CA--C 1.544 0.727 0 C-N-CA 126.06 1.744 . . . . 10.0 113.971 -177.405 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -69.26 -34.95 75.56 Favored 'General case' 0 CA--C 1.544 0.716 0 C-N-CA 124.692 1.197 . . . . 10.0 113.984 178.543 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 67' ' ' ASN . . . . . . . . . . . . . 11.5 m-80 -122.68 41.09 3.53 Favored 'General case' 0 CA--C 1.548 0.899 0 C-N-CA 124.281 1.032 . . . . 10.0 112.568 -170.2 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 68' ' ' GLN . . . . . . . . . . . . . 61.4 mt-30 -55.63 -54.14 47.78 Favored 'General case' 0 N--CA 1.475 0.776 0 C-N-CA 125.398 1.479 . . . . 10.0 112.923 -174.468 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -55.89 -45.82 78.49 Favored 'General case' 0 CA--C 1.541 0.598 0 C-N-CA 124.828 1.251 . . . . 10.0 112.612 -179.677 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 21.7 mp0 -57.19 -54.58 45.13 Favored 'General case' 0 CA--C 1.537 0.47 0 C-N-CA 125.688 1.595 . . . . 10.0 111.381 -179.631 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 71' ' ' PHE . . . . . . . . . . . . . 47.2 m-85 -58.93 -53.17 61.38 Favored 'General case' 0 N--CA 1.468 0.451 0 C-N-CA 123.687 0.795 . . . . 10.0 112.264 174.043 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 32.2 t -52.11 -57.77 8.57 Favored 'General case' 0 N--CA 1.469 0.518 0 C-N-CA 125.352 1.461 . . . . 10.0 112.638 -177.357 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 73' ' ' ARG . . . . . . . . . . . . . 76.2 mtp85 -56.9 -49.08 76.66 Favored 'General case' 0 N--CA 1.476 0.833 0 C-N-CA 125.831 1.652 . . . . 10.0 112.664 179.942 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 50.9 tp10 -57.92 -55.24 37.43 Favored 'General case' 0 CA--C 1.543 0.682 0 C-N-CA 124.903 1.281 . . . . 10.0 111.913 177.654 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 61.3 tttm -58.4 -19.84 39.32 Favored 'General case' 0 N--CA 1.475 0.814 0 C-N-CA 127.115 2.166 . . . . 10.0 115.109 -176.707 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 76' ' ' GLN . . . . . . . . . . . . . 76.9 mm-40 -55.53 -36.09 66.39 Favored 'General case' 0 N--CA 1.476 0.858 0 CA-C-N 119.514 1.052 . . . . 10.0 113.175 172.966 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 31.8 t70 -126.01 -41.42 1.95 Allowed 'General case' 0 CA--C 1.542 0.66 0 C-N-CA 125.552 1.541 . . . . 10.0 113.056 -174.467 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 1.8 t -66.65 145.13 55.9 Favored 'General case' 0 CA--C 1.537 0.476 0 C-N-CA 125.451 1.5 . . . . 10.0 113.536 -175.798 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 65.4 tttm -121.33 -77.76 0.59 Allowed 'General case' 0 N--CA 1.476 0.844 0 C-N-CA 125.838 1.655 . . . . 10.0 111.944 -178.104 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 51.8 tp -56.3 -40.91 75.08 Favored 'General case' 0 N--CA 1.473 0.702 0 C-N-CA 124.801 1.241 . . . . 10.0 112.654 -177.83 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 81' ' ' HIS . . . . . . . . . . . . . 13.9 t-160 -49.78 -51.66 37.67 Favored 'General case' 0 N--CA 1.47 0.535 0 C-N-CA 123.916 0.887 . . . . 10.0 112.252 -178.523 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 82' ' ' GLN . . . . . . . . . . . . . 99.2 mm-40 -50.49 -54.39 22.59 Favored 'General case' 0 N--CA 1.472 0.634 0 C-N-CA 124.682 1.193 . . . . 10.0 112.118 177.999 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 83' ' ' ARG . . . . . . . . . . . . . 53.2 tpt85 -53.27 -47.22 69.3 Favored 'General case' 0 N--CA 1.477 0.9 0 C-N-CA 124.876 1.27 . . . . 10.0 112.973 -179.765 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 84' ' ' VAL . . . . . . . . . . . . . 25.2 t -67.27 -52.65 40.33 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.864 0 C-N-CA 125.959 1.703 . . . . 10.0 110.939 177.088 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 85' ' ' LEU . . . . . . . . . . . . . 56.1 tp -54.46 -51.32 65.35 Favored 'General case' 0 N--CA 1.467 0.422 0 C-N-CA 127.096 2.158 . . . . 10.0 112.559 -179.568 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 86' ' ' TRP . . . . . . . . . . . . . 73.7 m95 -60.72 -43.63 97.63 Favored 'General case' 0 N--CA 1.465 0.309 0 N-CA-C 113.456 0.91 . . . . 10.0 113.456 176.684 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 87' ' ' ARG . . . . . . . . . . . . . 13.8 tpt180 -54.23 -49.3 69.77 Favored 'General case' 0 N--CA 1.476 0.834 0 CA-C-N 118.981 0.809 . . . . 10.0 111.183 170.186 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 88' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -55.4 -51.26 67.44 Favored 'General case' 0 CA--C 1.545 0.752 0 C-N-CA 124.354 1.062 . . . . 10.0 112.145 175.851 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 89' ' ' ILE . . . . . . . . . . . . . 90.7 mt -52.61 -52.51 26.31 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.738 0 C-N-CA 124.683 1.193 . . . . 10.0 110.931 173.962 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 12.5 mptt -55.3 -48.31 74.28 Favored 'General case' 0 N--CA 1.476 0.832 0 CA-C-N 119.2 0.909 . . . . 10.0 113.057 174.871 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 62.5 mm-40 -54.22 -49.31 69.71 Favored 'General case' 0 N--CA 1.473 0.719 0 CA-C-N 119.462 1.028 . . . . 10.0 112.128 175.013 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 92' ' ' ILE . . . . . . . . . . . . . 96.7 mt -57.64 -52.71 54.08 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.863 0 C-N-CA 124.0 0.92 . . . . 10.0 111.364 173.629 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 93' ' ' CYS . . . . . . . . . . . . . 68.3 m -57.61 -41.13 80.64 Favored 'General case' 0 CA--C 1.546 0.824 0 C-N-CA 124.33 1.052 . . . . 10.0 112.689 179.72 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 33.1 t -60.05 -47.09 87.32 Favored 'General case' 0 N--CA 1.473 0.678 0 C-N-CA 126.373 1.869 . . . . 10.0 112.682 170.728 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . -60.52 -40.07 90.11 Favored 'General case' 0 CA--C 1.544 0.735 0 C-N-CA 125.425 1.49 . . . . 10.0 114.555 -175.218 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 96' ' ' LYS . . . . . . . . . . . . . 1.2 ptpm? -72.52 55.51 0.35 Allowed 'General case' 0 N--CA 1.485 1.321 0 C-N-CA 125.896 1.678 . . . . 10.0 113.948 -179.781 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 97' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -64.4 143.44 57.9 Favored 'General case' 0 N--CA 1.472 0.67 0 C-N-CA 126.889 2.076 . . . . 10.0 113.903 -179.173 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 98' ' ' CYS . . . . . . . . . . . . . 55.8 m -80.53 140.29 35.91 Favored 'General case' 0 CA--C 1.539 0.522 0 C-N-CA 123.635 0.774 . . . . 10.0 112.8 178.077 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 99' ' ' ASP . . . . . . . . . . . . . 32.1 t70 -62.48 -39.43 93.43 Favored 'General case' 0 CA--C 1.543 0.703 0 C-N-CA 124.866 1.266 . . . . 10.0 113.015 176.409 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 100' ' ' PHE . . . . . . . . . . . . . 7.0 p90 -69.15 -15.45 63.41 Favored 'General case' 0 CA--C 1.543 0.701 0 N-CA-C 115.449 1.648 . . . . 10.0 115.449 -177.12 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 101' ' ' TRP . . . . . . . . . . . . . 46.6 m0 -58.41 136.27 57.42 Favored 'General case' 0 N--CA 1.474 0.731 0 CA-C-N 119.917 1.235 . . . . 10.0 111.497 175.905 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 102' ' ' LEU . . . . . . . . . . . . . 2.6 pt? -137.24 164.19 29.12 Favored 'General case' 0 CA--C 1.541 0.631 0 C-N-CA 126.269 1.828 . . . . 10.0 113.761 -169.049 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 49.5 mt-10 -70.8 115.87 10.45 Favored 'General case' 0 N--CA 1.477 0.894 0 C-N-CA 124.574 1.149 . . . . 10.0 110.32 171.134 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 104' ' ' ARG . . . . . . . . . . . . . 35.3 ptt180 -153.0 170.92 19.22 Favored 'General case' 0 N--CA 1.474 0.735 0 C-N-CA 125.522 1.529 . . . . 10.0 112.448 -177.088 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 105' ' ' GLY . . . . . . . . . . . . . . . -166.42 -161.03 14.55 Favored Glycine 0 CA--C 1.535 1.328 0 C-N-CA 125.708 1.623 . . . . 10.0 112.602 178.834 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 106' ' ' ALA . . . . . . . . . . . . . . . -141.12 155.29 46.13 Favored 'General case' 0 CA--C 1.545 0.781 0 C-N-CA 125.465 1.506 . . . . 10.0 112.184 -179.212 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 107' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.253 1.271 0 C-N-CA 126.754 2.022 . . . . 10.0 112.0 -179.148 . . . . . . . . 0 0 . 1 . 017 nuclear build full ' A' A ' 1' ' ' ARG . . . . . . . . . . . . . 1.1 tmt_? . . . . . 0 N--CA 1.489 1.51 0 N-CA-C 109.188 -0.671 . . . . 10.0 109.188 . . . . . . . . . 0 0 . 1 . 017 nuclear build full ' A' A ' 2' ' ' VAL . . . . . . . . . . . . . 7.5 p -68.34 150.44 10.83 Favored 'Isoleucine or valine' 0 N--CA 1.484 1.226 0 C-N-CA 124.857 1.263 . . . . 10.0 112.097 179.164 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -66.8 135.09 53.41 Favored 'General case' 0 CA--C 1.544 0.749 0 O-C-N 121.219 -0.925 . . . . 10.0 111.642 172.319 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 1.4 pm0 -66.6 -17.27 64.74 Favored 'General case' 0 N--CA 1.476 0.842 0 C-N-CA 124.814 1.246 . . . . 10.0 113.628 174.011 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 5' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER -127.67 59.96 1.44 Allowed 'General case' 0 CA--C 1.547 0.838 0 C-N-CA 126.339 1.856 . . . . 10.0 109.478 169.972 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 7.9 ptm180 -69.66 159.89 81.95 Favored Pre-proline 0 N--CA 1.477 0.883 0 C-N-CA 125.099 1.36 . . . . 10.0 112.631 174.632 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 7' ' ' PRO . . . . . . . . . . . . . 87.9 Cg_exo -47.61 122.78 7.29 Favored 'Trans proline' 0 CA--C 1.538 0.683 0 C-N-CA 123.608 2.872 . . . . 10.0 112.326 169.915 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . 115.75 -21.22 12.71 Favored Glycine 0 CA--C 1.537 1.459 0 C-N-CA 127.326 2.393 . . . . 10.0 113.69 -169.851 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -60.44 134.44 57.07 Favored 'General case' 0 CA--C 1.546 0.807 0 CA-C-N 119.465 1.632 . . . . 10.0 113.462 -172.117 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 10' ' ' PHE . . . . . . . . . . . . . 20.5 m-85 -60.86 148.96 37.62 Favored 'General case' 0 CA--C 1.542 0.638 0 C-N-CA 124.156 0.982 . . . . 10.0 113.262 174.742 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 66.1 mt -122.45 97.22 4.63 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.504 0 C-N-CA 126.118 1.767 . . . . 10.0 107.111 169.654 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 93.0 mttt -92.17 85.44 5.46 Favored 'General case' 0 N--CA 1.473 0.697 0 C-N-CA 125.049 1.34 . . . . 10.0 111.197 -176.407 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 27.2 mt-30 -76.94 -27.75 54.96 Favored 'General case' 0 N--CA 1.473 0.676 0 C-N-CA 123.624 0.77 . . . . 10.0 111.339 169.729 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . 76.88 17.42 79.86 Favored Glycine 0 CA--C 1.536 1.369 0 C-N-CA 125.044 1.307 . . . . 10.0 113.993 -179.052 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 38.6 ttp180 -69.77 132.31 45.89 Favored 'General case' 0 N--CA 1.47 0.574 0 C-N-CA 126.562 1.945 . . . . 10.0 110.727 176.29 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 73.6 tttt -77.27 99.53 5.53 Favored 'General case' 0 N--CA 1.473 0.698 0 C-N-CA 124.983 1.313 . . . . 10.0 110.691 178.287 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 90.7 mt -74.1 174.89 8.03 Favored 'General case' 0 CA--C 1.544 0.748 0 C-N-CA 126.014 1.726 . . . . 10.0 112.854 -178.783 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 19.2 t0 -125.4 93.84 3.98 Favored 'General case' 0 CA--C 1.542 0.635 0 C-N-CA 125.94 1.696 . . . . 10.0 110.337 174.789 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . 85.7 mt -134.37 134.69 54.71 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.693 0 C-N-CA 127.411 2.285 . . . . 10.0 108.602 -179.11 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 24.2 t0 -85.97 101.12 12.62 Favored 'General case' 0 CA--C 1.537 0.474 0 CA-C-O 121.823 0.821 . . . . 10.0 109.226 169.247 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 21' ' ' PHE . . . . . . . . . . . . . 82.3 m-85 -80.41 -36.86 33.2 Favored 'General case' 0 CA--C 1.539 0.548 0 C-N-CA 126.594 1.957 . . . . 10.0 111.521 171.82 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 124.15 165.71 12.3 Favored Glycine 0 CA--C 1.534 1.259 0 C-N-CA 127.463 2.459 . . . . 10.0 110.698 -169.731 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -48.58 -47.14 39.88 Favored 'General case' 0 CA--C 1.545 0.788 0 N-CA-C 115.266 1.58 . . . . 10.0 115.266 -170.195 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 35.3 mt-10 -62.68 -55.45 26.69 Favored 'General case' 0 N--CA 1.473 0.687 0 C-N-CA 125.82 1.648 . . . . 10.0 111.498 175.333 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -68.69 -36.86 83.74 Favored Glycine 0 CA--C 1.528 0.894 0 C-N-CA 125.031 1.3 . . . . 10.0 114.141 -173.793 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 91.3 m-20 -57.26 -51.15 70.52 Favored 'General case' 0 CA--C 1.536 0.409 0 C-N-CA 125.476 1.511 . . . . 10.0 109.997 173.799 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 77.2 mtt85 -59.98 -47.48 85.66 Favored 'General case' 0 N--CA 1.477 0.876 0 C-N-CA 124.369 1.067 . . . . 10.0 112.127 175.462 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 28' ' ' TYR . . . . . . . . . . . . . 75.5 t80 -59.36 -54.42 46.99 Favored 'General case' 0 CA--C 1.536 0.435 0 C-N-CA 124.246 1.019 . . . . 10.0 112.407 178.526 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 29' ' ' TYR . . . . . . . . . . . . . 77.1 t80 -56.63 -50.94 70.55 Favored 'General case' 0 CA--C 1.533 0.323 0 C-N-CA 124.692 1.197 . . . . 10.0 112.104 177.785 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -49.65 -31.59 11.27 Favored 'General case' 0 CA--C 1.547 0.836 0 N-CA-C 114.089 1.144 . . . . 10.0 114.089 176.545 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -92.26 -25.93 18.39 Favored 'General case' 0 CA--C 1.552 1.04 0 C-N-CA 126.086 1.754 . . . . 10.0 115.17 176.812 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 32' ' ' ASN . . . . . . . . . . . . . 57.7 m-80 -124.96 6.76 7.98 Favored 'General case' 0 N--CA 1.478 0.97 0 N-CA-C 116.238 1.94 . . . . 10.0 116.238 -169.314 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 33' ' ' TYR . . . . . . . . . . . . . 52.3 p90 -45.04 -36.18 3.37 Favored 'General case' 0 N--CA 1.477 0.886 0 C-N-CA 127.461 2.304 . . . . 10.0 115.375 -176.841 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 34' ' ' TRP . . . . . . . . . . . . . 62.5 p-90 -49.83 -35.25 22.34 Favored 'General case' 0 CA--C 1.546 0.804 0 C-N-CA 126.466 1.906 . . . . 10.0 114.688 176.628 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 32.0 mt-30 -70.2 -35.47 73.95 Favored 'General case' 0 N--CA 1.475 0.819 0 N-CA-C 114.244 1.202 . . . . 10.0 114.244 179.139 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 36' ' ' PHE . . . . . . . . . . . . . 76.8 m-85 -72.65 155.05 91.27 Favored Pre-proline 0 CA--C 1.544 0.749 0 C-N-CA 126.331 1.852 . . . . 10.0 115.341 -168.945 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 83.8 Cg_endo -73.41 135.15 21.84 Favored 'Trans proline' 0 CA--C 1.541 0.861 0 C-N-CA 123.492 2.795 . . . . 10.0 110.241 169.457 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 5.4 t70 -86.08 -37.15 19.16 Favored 'General case' 0 CA--C 1.541 0.633 0 C-N-CA 124.875 1.27 . . . . 10.0 111.381 171.615 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . -133.19 173.93 20.84 Favored Glycine 0 CA--C 1.531 1.082 0 C-N-CA 125.788 1.661 . . . . 10.0 112.161 173.273 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 40' ' ' ILE . . . . . . . . . . . . . 96.1 mt -135.84 123.82 36.56 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.575 0 C-N-CA 125.216 1.406 . . . . 10.0 108.32 175.887 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 41' ' ' TYR . . . . . . . . . . . . . 85.9 t80 -70.44 105.7 3.15 Favored 'General case' 0 CA--C 1.535 0.375 0 C-N-CA 124.907 1.283 . . . . 10.0 109.704 172.695 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 42' ' ' TYR . . . . . . . . . . . . . 61.3 t80 -152.47 144.12 23.51 Favored 'General case' 0 CA--C 1.538 0.482 0 C-N-CA 123.773 0.829 . . . . 10.0 111.934 179.263 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 53.2 mt-10 -132.71 84.07 2.12 Favored 'General case' 0 N--CA 1.471 0.614 0 C-N-CA 125.806 1.643 . . . . 10.0 110.362 -176.83 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . -84.19 -56.84 2.48 Favored Glycine 0 CA--C 1.534 1.23 0 C-N-CA 124.961 1.267 . . . . 10.0 113.624 -176.466 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 45' ' ' CYS . . . . . . . . . . . . . 20.0 m -63.46 141.9 58.59 Favored 'General case' 0 CA--C 1.54 0.586 0 C-N-CA 125.524 1.53 . . . . 10.0 114.14 -176.24 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 50.5 p -145.52 -52.61 0.27 Allowed 'General case' 0 N--CA 1.471 0.62 0 C-N-CA 126.769 2.027 . . . . 10.0 111.362 178.343 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 11.2 pt-20 -139.63 162.14 35.82 Favored 'General case' 0 CA--C 1.542 0.65 0 C-N-CA 126.822 2.049 . . . . 10.0 112.454 178.58 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -51.3 -28.51 12.24 Favored 'General case' 0 CA--C 1.545 0.771 0 C-N-CA 126.56 1.944 . . . . 10.0 115.769 -174.891 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 72.0 m-20 -62.2 -29.82 70.64 Favored 'General case' 0 CA--C 1.546 0.798 0 C-N-CA 124.516 1.126 . . . . 10.0 113.503 175.515 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . 59.4 t -69.95 112.33 4.66 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.882 0 C-N-CA 124.627 1.171 . . . . 10.0 109.75 172.97 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 34.5 p -90.24 172.94 8.43 Favored 'General case' 0 N--CA 1.478 0.959 0 C-N-CA 123.862 0.865 . . . . 10.0 112.321 -179.842 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 82.2 tttt -62.27 -48.38 80.17 Favored 'General case' 0 N--CA 1.472 0.648 0 O-C-N 121.411 -0.806 . . . . 10.0 111.679 169.765 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 44.7 mt-10 -52.6 -46.22 66.87 Favored 'General case' 0 N--CA 1.473 0.677 0 C-N-CA 124.157 0.983 . . . . 10.0 112.072 175.65 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 54' ' ' MET . . . . . . . . . . . . . 94.0 mtp -55.82 -58.81 6.29 Favored 'General case' 0 CA--C 1.536 0.439 0 C-N-CA 124.121 0.968 . . . . 10.0 111.832 169.975 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 9.7 tt -58.18 -54.23 49.37 Favored 'General case' 0 CA--C 1.535 0.383 0 C-N-CA 124.253 1.021 . . . . 10.0 113.37 -174.729 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 84.5 t -56.03 -48.78 78.34 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.918 0 C-N-CA 124.947 1.299 . . . . 10.0 110.627 -177.312 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 57' ' ' THR . . . . . . . . . . . . . 35.4 m -61.63 -49.14 77.77 Favored 'General case' 0 N--CA 1.476 0.87 0 C-N-CA 124.761 1.225 . . . . 10.0 111.822 175.817 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 49.3 m -60.7 -37.61 82.24 Favored 'General case' 0 N--CA 1.472 0.643 0 C-N-CA 124.206 1.003 . . . . 10.0 112.591 178.286 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 59' ' ' CYS . . . . . . . . . . . . . 31.6 t -58.12 -50.39 73.66 Favored 'General case' 0 CA--C 1.538 0.518 0 C-N-CA 125.951 1.7 . . . . 10.0 112.425 171.58 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 60' ' ' VAL . . . . . . . . . . . . . 50.6 t -56.31 -43.53 77.22 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.122 0 O-C-N 121.172 -0.955 . . . . 10.0 111.96 173.19 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 61' ' ' ASN . . . . . . . . . . . . . 19.2 m-80 -63.29 -46.5 86.46 Favored 'General case' 0 CA--C 1.544 0.739 0 C-N-CA 124.481 1.113 . . . . 10.0 112.967 174.43 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -60.65 -45.13 95.24 Favored 'General case' 0 CA--C 1.537 0.472 0 C-N-CA 124.554 1.141 . . . . 10.0 111.488 176.271 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 63' ' ' THR . . . . . . . . . . . . . 29.1 m -55.78 -48.59 75.05 Favored 'General case' 0 N--CA 1.472 0.632 0 C-N-CA 125.16 1.384 . . . . 10.0 111.558 177.072 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 64' ' ' GLN . . . . . . . . . . . . . 42.6 mt-30 -51.24 -59.22 4.44 Favored 'General case' 0 N--CA 1.469 0.487 0 C-N-CA 124.108 0.963 . . . . 10.0 111.666 171.463 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -56.36 -42.82 78.42 Favored 'General case' 0 CA--C 1.546 0.789 0 C-N-CA 125.898 1.679 . . . . 10.0 114.025 -178.221 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -68.8 -42.71 76.96 Favored 'General case' 0 CA--C 1.542 0.639 0 C-N-CA 125.044 1.338 . . . . 10.0 114.022 178.377 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 67' ' ' ASN . . . . . . . . . . . . . 8.4 m-80 -114.89 37.27 3.52 Favored 'General case' 0 CA--C 1.544 0.718 0 C-N-CA 124.21 1.004 . . . . 10.0 112.583 -169.849 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 68' ' ' GLN . . . . . . . . . . . . . 60.3 mt-30 -50.16 -52.77 32.63 Favored 'General case' 0 N--CA 1.474 0.744 0 C-N-CA 125.921 1.688 . . . . 10.0 112.224 -179.342 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -51.55 -52.01 50.69 Favored 'General case' 0 CA--C 1.54 0.575 0 C-N-CA 125.286 1.434 . . . . 10.0 112.742 178.538 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 6.4 mm-40 -57.19 -48.21 79.34 Favored 'General case' 0 N--CA 1.473 0.693 0 C-N-CA 124.996 1.318 . . . . 10.0 112.847 -179.259 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 71' ' ' PHE . . . . . . . . . . . . . 37.0 m-85 -60.67 -58.26 9.23 Favored 'General case' 0 CA--C 1.537 0.472 0 C-N-CA 122.797 0.439 . . . . 10.0 111.409 174.27 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 66.7 m -56.11 -51.51 67.67 Favored 'General case' 0 N--CA 1.472 0.643 0 C-N-CA 125.231 1.412 . . . . 10.0 114.047 -176.551 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 73' ' ' ARG . . . . . . . . . . . . . 7.1 ppt_? -58.84 -46.13 88.41 Favored 'General case' 0 N--CA 1.479 0.993 0 C-N-CA 124.605 1.162 . . . . 10.0 113.142 -176.472 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 18.2 mt-10 -64.98 -52.12 57.98 Favored 'General case' 0 N--CA 1.467 0.416 0 C-N-CA 123.822 0.849 . . . . 10.0 112.851 173.25 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 58.5 tptt -48.41 -26.67 2.2 Favored 'General case' 0 N--CA 1.482 1.143 0 C-N-CA 126.875 2.07 . . . . 10.0 115.188 -175.33 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 76' ' ' GLN . . . . . . . . . . . . . 73.0 mm-40 -53.34 -32.45 49.16 Favored 'General case' 0 CA--C 1.546 0.803 0 C-N-CA 124.711 1.204 . . . . 10.0 113.8 172.873 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 32.1 t70 -135.25 -44.27 0.7 Allowed 'General case' 0 CA--C 1.545 0.766 0 C-N-CA 126.061 1.744 . . . . 10.0 113.223 -176.051 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 6.8 t -62.19 135.97 57.73 Favored 'General case' 0 N--CA 1.47 0.545 0 C-N-CA 126.546 1.939 . . . . 10.0 112.647 -179.499 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 40.3 ttpt -120.4 -76.38 0.58 Allowed 'General case' 0 N--CA 1.476 0.837 0 C-N-CA 125.817 1.647 . . . . 10.0 111.751 -174.337 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 42.6 tp -57.74 -38.18 74.89 Favored 'General case' 0 N--CA 1.471 0.611 0 C-N-CA 124.508 1.123 . . . . 10.0 112.851 -177.288 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 81' ' ' HIS . . . . . . . . . . . . . 16.9 t-160 -50.43 -48.57 56.25 Favored 'General case' 0 N--CA 1.471 0.577 0 CA-C-N 118.959 0.8 . . . . 10.0 112.55 -178.886 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 82' ' ' GLN . . . . . . . . . . . . . 87.8 mm-40 -51.73 -52.67 46.75 Favored 'General case' 0 N--CA 1.471 0.601 0 C-N-CA 124.641 1.176 . . . . 10.0 111.974 -179.89 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 83' ' ' ARG . . . . . . . . . . . . . 76.6 mtp180 -51.13 -55.37 18.12 Favored 'General case' 0 N--CA 1.48 1.065 0 C-N-CA 125.453 1.501 . . . . 10.0 111.748 178.006 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 84' ' ' VAL . . . . . . . . . . . . . 18.8 t -60.45 -52.93 55.71 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.807 0 C-N-CA 126.086 1.755 . . . . 10.0 111.121 178.801 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 85' ' ' LEU . . . . . . . . . . . . . 49.0 tp -54.31 -49.8 68.83 Favored 'General case' 0 CA--C 1.538 0.49 0 C-N-CA 126.5 1.92 . . . . 10.0 112.619 178.706 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 86' ' ' TRP . . . . . . . . . . . . . 68.0 m95 -61.81 -43.31 99.11 Favored 'General case' 0 N--CA 1.469 0.523 0 N-CA-C 113.845 1.054 . . . . 10.0 113.845 176.363 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 87' ' ' ARG . . . . . . . . . . . . . 26.2 tpt180 -55.17 -47.93 74.5 Favored 'General case' 0 N--CA 1.476 0.854 0 C-N-CA 123.529 0.732 . . . . 10.0 111.396 169.971 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 88' ' ' LEU . . . . . . . . . . . . . 1.3 tt -57.91 -54.39 47.45 Favored 'General case' 0 CA--C 1.546 0.794 0 C-N-CA 124.677 1.191 . . . . 10.0 112.139 175.117 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 89' ' ' ILE . . . . . . . . . . . . . 76.5 mt -50.14 -51.63 16.85 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.855 0 C-N-CA 125.202 1.401 . . . . 10.0 110.86 174.617 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 86.5 tttt -58.82 -45.59 89.64 Favored 'General case' 0 N--CA 1.469 0.482 0 C-N-CA 124.11 0.964 . . . . 10.0 112.747 177.198 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 18.4 mm-40 -56.64 -47.06 80.54 Favored 'General case' 0 CA--C 1.542 0.651 0 CA-C-N 119.73 1.15 . . . . 10.0 112.553 172.476 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 92' ' ' ILE . . . . . . . . . . . . . 93.3 mt -55.35 -55.9 14.45 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.958 0 C-N-CA 123.892 0.877 . . . . 10.0 110.791 172.224 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 93' ' ' CYS . . . . . . . . . . . . . 90.2 m -56.12 -46.83 79.02 Favored 'General case' 0 CA--C 1.543 0.708 0 C-N-CA 123.726 0.81 . . . . 10.0 112.164 179.032 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 57.5 m -57.78 -37.02 72.96 Favored 'General case' 0 N--CA 1.476 0.829 0 C-N-CA 126.132 1.773 . . . . 10.0 113.813 176.432 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . -66.11 -28.02 68.49 Favored 'General case' 0 CA--C 1.548 0.874 0 N-CA-C 113.97 1.1 . . . . 10.0 113.97 177.572 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 96' ' ' LYS . . . . . . . . . . . . . 41.8 mttm -59.97 120.07 8.96 Favored 'General case' 0 N--CA 1.477 0.92 0 C-N-CA 125.01 1.324 . . . . 10.0 111.83 -177.66 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 97' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -126.19 146.8 49.82 Favored 'General case' 0 N--CA 1.468 0.448 0 C-N-CA 126.696 1.998 . . . . 10.0 113.449 -174.036 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 98' ' ' CYS . . . . . . . . . . . . . 56.1 m -128.84 129.1 45.14 Favored 'General case' 0 N--CA 1.47 0.536 0 C-N-CA 124.863 1.265 . . . . 10.0 111.367 -177.25 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 99' ' ' ASP . . . . . . . . . . . . . 12.8 m-20 -57.58 -36.98 72.43 Favored 'General case' 0 N--CA 1.472 0.626 0 C-N-CA 125.36 1.464 . . . . 10.0 113.756 -174.006 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 100' ' ' PHE . . . . . . . . . . . . . 5.4 p90 -70.29 -15.76 62.93 Favored 'General case' 0 CA--C 1.542 0.653 0 N-CA-C 115.249 1.574 . . . . 10.0 115.249 -177.923 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 101' ' ' TRP . . . . . . . . . . . . . 43.9 m0 -59.49 119.44 7.51 Favored 'General case' 0 N--CA 1.472 0.663 0 CA-C-N 119.862 1.21 . . . . 10.0 111.981 179.686 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 102' ' ' LEU . . . . . . . . . . . . . 5.6 mp -73.18 152.24 41.19 Favored 'General case' 0 CA--C 1.542 0.652 0 C-N-CA 125.448 1.499 . . . . 10.0 112.594 -170.681 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 31.9 tt0 -140.09 -65.48 0.46 Allowed 'General case' 0 N--CA 1.473 0.694 0 C-N-CA 125.768 1.627 . . . . 10.0 110.471 174.137 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 104' ' ' ARG . . . . . . . . . . . . . 20.4 ptp180 -123.43 6.63 8.98 Favored 'General case' 0 N--CA 1.48 1.057 0 C-N-CA 126.681 1.992 . . . . 10.0 113.764 -178.501 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 105' ' ' GLY . . . . . . . . . . . . . . . 179.78 174.05 45.37 Favored Glycine 0 CA--C 1.536 1.361 0 C-N-CA 127.288 2.375 . . . . 10.0 112.056 -179.331 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 106' ' ' ALA . . . . . . . . . . . . . . . -90.61 -178.06 5.19 Favored 'General case' 0 CA--C 1.55 0.95 0 C-N-CA 125.394 1.478 . . . . 10.0 112.828 177.558 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 107' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.254 1.323 0 C-N-CA 126.811 2.044 . . . . 10.0 112.005 179.424 . . . . . . . . 0 0 . 1 . 018 nuclear build full ' A' A ' 1' ' ' ARG . . . . . . . . . . . . . 95.9 mtt-85 . . . . . 0 N--CA 1.49 1.534 0 CA-C-O 120.517 0.198 . . . . 10.0 110.67 . . . . . . . . . 0 0 . 1 . 018 nuclear build full ' A' A ' 2' ' ' VAL . . . . . . . . . . . . . 7.3 p -62.17 155.29 4.87 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.091 0 C-N-CA 124.86 1.264 . . . . 10.0 111.733 171.296 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -56.78 145.2 30.06 Favored 'General case' 0 CA--C 1.544 0.744 0 C-N-CA 124.135 0.974 . . . . 10.0 112.215 171.781 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 13.1 pt-20 -84.66 -16.42 41.95 Favored 'General case' 0 N--CA 1.475 0.8 0 C-N-CA 125.047 1.339 . . . . 10.0 113.5 178.901 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 5' ' ' ASN . . . . . . . . . . . . . 56.5 t30 -126.96 64.53 1.3 Allowed 'General case' 0 CA--C 1.542 0.64 0 C-N-CA 126.553 1.941 . . . . 10.0 109.987 -179.076 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 67.2 mtm-85 -66.16 143.82 98.51 Favored Pre-proline 0 N--CA 1.475 0.81 0 C-N-CA 126.972 2.109 . . . . 10.0 111.391 178.165 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 7' ' ' PRO . . . . . . . . . . . . . 51.8 Cg_exo -53.79 116.09 2.78 Favored 'Trans proline' 0 CA--C 1.542 0.879 0 C-N-CA 122.656 2.237 . . . . 10.0 110.78 169.467 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . 112.62 -14.73 24.7 Favored Glycine 0 CA--C 1.538 1.515 0 C-N-CA 126.393 1.949 . . . . 10.0 114.223 -169.891 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -61.74 134.76 57.14 Favored 'General case' 0 CA--C 1.542 0.636 0 CA-C-N 119.803 1.801 . . . . 10.0 113.469 -171.135 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 10' ' ' PHE . . . . . . . . . . . . . 20.8 m-30 -58.06 145.56 36.03 Favored 'General case' 0 CA--C 1.539 0.554 0 C-N-CA 124.809 1.244 . . . . 10.0 112.69 171.135 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 57.8 mt -121.23 117.57 53.23 Favored 'Isoleucine or valine' 0 C--O 1.237 0.432 0 C-N-CA 125.71 1.604 . . . . 10.0 107.183 169.899 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 86.2 mttt -117.01 80.53 1.5 Allowed 'General case' 0 N--CA 1.472 0.649 0 C-N-CA 125.783 1.633 . . . . 10.0 110.04 -174.646 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 35.9 mt-30 -74.88 -42.38 57.98 Favored 'General case' 0 CA--C 1.538 0.5 0 C-N-CA 125.971 1.708 . . . . 10.0 110.481 171.932 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . 101.64 68.19 0.82 Allowed Glycine 0 CA--C 1.529 0.962 0 C-N-CA 125.682 1.61 . . . . 10.0 110.768 -178.154 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 43.8 ttp85 -135.55 109.32 8.07 Favored 'General case' 0 N--CA 1.47 0.538 0 C-N-CA 126.746 2.019 . . . . 10.0 110.295 -169.677 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 77.1 tttt -70.97 121.46 18.19 Favored 'General case' 0 N--CA 1.475 0.778 0 C-N-CA 125.658 1.583 . . . . 10.0 111.184 -177.636 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 73.6 mt -95.9 177.53 5.73 Favored 'General case' 0 CA--C 1.545 0.782 0 C-N-CA 125.882 1.673 . . . . 10.0 112.72 -175.524 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 18.2 t0 -126.99 90.4 3.15 Favored 'General case' 0 CA--C 1.543 0.684 0 C-N-CA 126.166 1.786 . . . . 10.0 110.819 179.855 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . 56.6 mt -136.01 130.23 48.38 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.746 0 C-N-CA 127.415 2.286 . . . . 10.0 108.482 -175.935 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 23.0 t0 -90.48 86.0 6.31 Favored 'General case' 0 CA--C 1.539 0.524 0 CA-C-O 121.959 0.885 . . . . 10.0 110.82 173.241 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 21' ' ' PHE . . . . . . . . . . . . . 80.0 m-85 -62.84 -42.58 99.8 Favored 'General case' 0 CA--C 1.54 0.576 0 C-N-CA 126.711 2.004 . . . . 10.0 111.778 171.077 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 133.32 154.48 7.45 Favored Glycine 0 CA--C 1.533 1.168 0 C-N-CA 127.914 2.673 . . . . 10.0 109.608 -169.69 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -40.11 -58.31 1.48 Allowed 'General case' 0 CA--C 1.547 0.864 0 N-CA-C 115.49 1.663 . . . . 10.0 115.49 -169.518 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 34.6 tt0 -66.57 -42.57 86.81 Favored 'General case' 0 CA--C 1.545 0.781 0 C-N-CA 124.15 0.98 . . . . 10.0 112.916 -179.698 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -66.12 -39.85 94.79 Favored Glycine 0 CA--C 1.535 1.295 0 C-N-CA 124.562 1.077 . . . . 10.0 113.847 176.679 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 86.1 m-20 -56.18 -50.34 71.47 Favored 'General case' 0 CA--C 1.535 0.366 0 C-N-CA 126.069 1.747 . . . . 10.0 110.313 172.306 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 66.8 mtp180 -58.81 -45.98 88.66 Favored 'General case' 0 N--CA 1.474 0.728 0 C-N-CA 125.115 1.366 . . . . 10.0 111.389 176.291 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 28' ' ' TYR . . . . . . . . . . . . . 74.7 t80 -60.03 -54.42 46.18 Favored 'General case' 0 CA--C 1.537 0.459 0 C-N-CA 124.059 0.944 . . . . 10.0 112.044 177.545 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 29' ' ' TYR . . . . . . . . . . . . . 85.2 t80 -55.2 -51.7 65.69 Favored 'General case' 0 CA--C 1.537 0.478 0 C-N-CA 124.164 0.985 . . . . 10.0 112.228 175.175 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -51.22 -36.48 41.86 Favored 'General case' 0 CA--C 1.546 0.793 0 C-N-CA 124.496 1.118 . . . . 10.0 113.802 178.587 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -86.83 -23.51 25.29 Favored 'General case' 0 CA--C 1.55 0.957 0 N-CA-C 115.009 1.485 . . . . 10.0 115.009 176.606 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 32' ' ' ASN . . . . . . . . . . . . . 60.6 m-80 -125.9 8.77 7.48 Favored 'General case' 0 CA--C 1.547 0.832 0 N-CA-C 116.475 2.028 . . . . 10.0 116.475 -169.227 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 33' ' ' TYR . . . . . . . . . . . . . 51.7 p90 -49.17 -29.1 5.02 Favored 'General case' 0 N--CA 1.479 0.98 0 C-N-CA 126.144 1.778 . . . . 10.0 115.217 -176.921 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 34' ' ' TRP . . . . . . . . . . . . . 63.7 p-90 -52.57 -35.75 54.51 Favored 'General case' 0 CA--C 1.546 0.816 0 C-N-CA 125.95 1.7 . . . . 10.0 114.367 171.994 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 29.5 mt-30 -69.99 -41.17 74.75 Favored 'General case' 0 N--CA 1.475 0.784 0 C-N-CA 124.147 0.979 . . . . 10.0 112.916 176.229 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 36' ' ' PHE . . . . . . . . . . . . . 86.9 m-85 -71.07 154.76 93.94 Favored Pre-proline 0 CA--C 1.547 0.835 0 C-N-CA 126.129 1.772 . . . . 10.0 114.385 -169.752 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 92.2 Cg_endo -74.0 131.9 16.14 Favored 'Trans proline' 0 CA--C 1.537 0.671 0 C-N-CA 123.665 2.91 . . . . 10.0 110.328 169.377 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 4.2 p30 -94.25 -30.03 14.78 Favored 'General case' 0 N--CA 1.473 0.676 0 O-C-N 121.326 -0.859 . . . . 10.0 111.758 170.024 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . -120.82 165.19 14.02 Favored Glycine 0 CA--C 1.536 1.401 0 C-N-CA 125.184 1.373 . . . . 10.0 111.772 169.204 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 40' ' ' ILE . . . . . . . . . . . . . 87.1 mt -136.46 123.89 33.11 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.841 0 C-N-CA 124.936 1.295 . . . . 10.0 108.828 171.688 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 41' ' ' TYR . . . . . . . . . . . . . 89.9 t80 -73.95 114.15 11.93 Favored 'General case' 0 CA--C 1.535 0.396 0 C-N-CA 124.943 1.297 . . . . 10.0 109.91 171.315 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 42' ' ' TYR . . . . . . . . . . . . . 40.6 t80 -153.94 153.18 31.56 Favored 'General case' 0 CA--C 1.541 0.624 0 C-N-CA 124.124 0.969 . . . . 10.0 111.606 176.875 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 47.2 mt-10 -126.75 59.95 1.37 Allowed 'General case' 0 N--CA 1.474 0.731 0 C-N-CA 125.845 1.658 . . . . 10.0 110.659 -174.102 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . -74.24 -31.55 59.24 Favored Glycine 0 CA--C 1.532 1.103 0 C-N-CA 125.06 1.314 . . . . 10.0 115.154 -174.716 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 45' ' ' CYS . . . . . . . . . . . . . 84.7 m -75.06 74.28 2.24 Favored 'General case' 0 CA--C 1.544 0.717 0 C-N-CA 125.285 1.434 . . . . 10.0 112.675 -174.657 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 23.0 t -77.6 -55.48 5.32 Favored 'General case' 0 CA--C 1.537 0.459 0 C-N-CA 125.282 1.433 . . . . 10.0 112.139 176.558 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 14.5 pt-20 -154.99 154.37 32.43 Favored 'General case' 0 N--CA 1.471 0.61 0 C-N-CA 125.13 1.372 . . . . 10.0 113.249 -169.837 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -52.11 -27.75 15.26 Favored 'General case' 0 CA--C 1.547 0.852 0 N-CA-C 115.11 1.522 . . . . 10.0 115.11 179.399 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 77.1 m-20 -65.96 -29.74 70.19 Favored 'General case' 0 CA--C 1.546 0.791 0 C-N-CA 124.689 1.196 . . . . 10.0 113.673 174.977 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . 0.8 OUTLIER -66.74 125.31 23.81 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.812 0 CA-C-N 119.502 1.046 . . . . 10.0 109.673 174.885 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 74.9 p -93.16 171.52 8.89 Favored 'General case' 0 N--CA 1.475 0.784 0 C-N-CA 124.571 1.148 . . . . 10.0 110.782 -179.98 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 85.6 tttt -57.97 -51.68 68.63 Favored 'General case' 0 N--CA 1.47 0.575 0 O-C-N 121.641 -0.662 . . . . 10.0 110.623 169.582 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 28.0 mm-40 -49.9 -50.37 46.38 Favored 'General case' 0 N--CA 1.473 0.707 0 C-N-CA 124.157 0.983 . . . . 10.0 112.256 177.363 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 54' ' ' MET . . . . . . . . . . . . . 60.0 mtm -60.08 -48.6 81.03 Favored 'General case' 0 CA--C 1.537 0.454 0 N-CA-C 112.99 0.737 . . . . 10.0 112.99 172.84 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 9.6 tt -59.4 -52.04 67.32 Favored 'General case' 0 N--CA 1.467 0.423 0 CA-C-N 119.664 1.12 . . . . 10.0 112.558 179.887 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 40.1 t -58.22 -48.62 84.22 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.917 0 C-N-CA 124.567 1.147 . . . . 10.0 110.78 -179.721 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 57' ' ' THR . . . . . . . . . . . . . 61.8 m -56.78 -51.33 69.33 Favored 'General case' 0 N--CA 1.477 0.916 0 C-N-CA 124.386 1.074 . . . . 10.0 111.794 174.669 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 45.3 m -62.35 -39.99 94.94 Favored 'General case' 0 N--CA 1.472 0.667 0 C-N-CA 124.264 1.025 . . . . 10.0 112.605 178.893 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 59' ' ' CYS . . . . . . . . . . . . . 44.7 t -58.47 -49.55 76.91 Favored 'General case' 0 CA--C 1.536 0.42 0 C-N-CA 126.217 1.807 . . . . 10.0 112.26 172.965 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 60' ' ' VAL . . . . . . . . . . . . . 44.0 t -54.94 -48.36 75.2 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.896 0 C-N-CA 124.317 1.047 . . . . 10.0 111.519 171.744 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 61' ' ' ASN . . . . . . . . . . . . . 17.8 m-80 -59.76 -44.94 93.61 Favored 'General case' 0 CA--C 1.546 0.796 0 C-N-CA 124.596 1.158 . . . . 10.0 113.476 175.223 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -61.0 -47.23 87.42 Favored 'General case' 0 CA--C 1.539 0.551 0 C-N-CA 124.265 1.026 . . . . 10.0 111.311 174.635 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 63' ' ' THR . . . . . . . . . . . . . 37.0 m -54.8 -49.72 70.29 Favored 'General case' 0 N--CA 1.47 0.555 0 C-N-CA 125.19 1.396 . . . . 10.0 111.655 177.078 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 64' ' ' GLN . . . . . . . . . . . . . 55.5 mt-30 -46.88 -60.31 2.51 Favored 'General case' 0 N--CA 1.474 0.751 0 C-N-CA 125.075 1.35 . . . . 10.0 111.976 172.28 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -56.19 -43.51 78.53 Favored 'General case' 0 CA--C 1.543 0.676 0 C-N-CA 125.403 1.481 . . . . 10.0 113.468 -179.55 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -74.53 -30.96 61.98 Favored 'General case' 0 CA--C 1.545 0.778 0 N-CA-C 115.207 1.558 . . . . 10.0 115.207 -176.775 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 67' ' ' ASN . . . . . . . . . . . . . 6.8 m-80 -125.34 39.38 3.98 Favored 'General case' 0 N--CA 1.48 1.054 0 CA-C-N 120.179 1.354 . . . . 10.0 113.214 -170.295 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 68' ' ' GLN . . . . . . . . . . . . . 70.5 mt-30 -51.81 -39.1 58.14 Favored 'General case' 0 N--CA 1.476 0.832 0 C-N-CA 126.345 1.858 . . . . 10.0 115.032 -172.559 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -51.42 -58.86 5.09 Favored 'General case' 0 CA--C 1.544 0.748 0 C-N-CA 125.216 1.406 . . . . 10.0 113.47 -176.614 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 44.1 mt-10 -62.81 -27.27 69.2 Favored 'General case' 0 N--CA 1.476 0.833 0 C-N-CA 123.907 0.883 . . . . 10.0 113.176 179.891 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 71' ' ' PHE . . . . . . . . . . . . . 13.5 m-85 -83.55 1.29 42.73 Favored 'General case' 0 CA--C 1.544 0.712 0 C-N-CA 124.862 1.265 . . . . 10.0 114.346 175.214 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 31.0 t -132.93 -58.8 0.9 Allowed 'General case' 0 N--CA 1.472 0.653 0 C-N-CA 124.637 1.175 . . . . 10.0 113.231 -170.694 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 73' ' ' ARG . . . . . . . . . . . . . 38.8 mmt180 -61.98 -52.04 65.63 Favored 'General case' 0 N--CA 1.475 0.786 0 C-N-CA 125.123 1.369 . . . . 10.0 112.926 -172.9 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 11.4 pt-20 -89.97 -25.25 20.98 Favored 'General case' 0 N--CA 1.475 0.816 0 N-CA-C 114.316 1.228 . . . . 10.0 114.316 -175.792 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 79.0 tttt -34.22 -52.74 0.48 Allowed 'General case' 0 N--CA 1.48 1.066 0 C-N-CA 128.803 2.841 . . . . 10.0 115.452 -174.116 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 76' ' ' GLN . . . . . . . . . . . . . 4.5 mp0 -54.88 -46.83 74.82 Favored 'General case' 0 CA--C 1.542 0.639 0 C-N-CA 125.892 1.677 . . . . 10.0 112.547 -175.017 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 33.1 t70 -84.62 -48.66 9.27 Favored 'General case' 0 CA--C 1.542 0.656 0 C-N-CA 125.122 1.369 . . . . 10.0 111.991 174.565 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 2.7 t -80.62 49.96 1.25 Allowed 'General case' 0 CA--C 1.543 0.698 0 C-N-CA 127.519 2.327 . . . . 10.0 112.787 -171.816 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 99.5 mttt -57.26 -55.3 36.5 Favored 'General case' 0 N--CA 1.476 0.85 0 C-N-CA 126.291 1.836 . . . . 10.0 112.848 -172.57 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 59.0 tp -56.53 -43.32 79.72 Favored 'General case' 0 N--CA 1.469 0.512 0 C-N-CA 124.691 1.196 . . . . 10.0 112.067 177.88 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 81' ' ' HIS . . . . . . . . . . . . . 17.0 t-160 -51.81 -51.56 55.56 Favored 'General case' 0 N--CA 1.468 0.428 0 CA-C-O 118.378 -0.82 . . . . 10.0 111.025 177.846 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 82' ' ' GLN . . . . . . . . . . . . . 95.3 mm-40 -51.57 -51.08 58.39 Favored 'General case' 0 N--CA 1.471 0.584 0 C-N-CA 123.84 0.856 . . . . 10.0 112.386 176.778 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 83' ' ' ARG . . . . . . . . . . . . . 47.5 mmt-85 -56.65 -55.02 39.34 Favored 'General case' 0 N--CA 1.479 1.012 0 C-N-CA 124.078 0.951 . . . . 10.0 111.972 -178.648 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 84' ' ' VAL . . . . . . . . . . . . . 44.9 t -59.75 -49.79 82.49 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.806 0 C-N-CA 125.689 1.595 . . . . 10.0 110.793 177.78 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 85' ' ' LEU . . . . . . . . . . . . . 50.4 tp -56.29 -49.72 73.47 Favored 'General case' 0 N--CA 1.469 0.482 0 C-N-CA 126.394 1.878 . . . . 10.0 112.501 178.301 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 86' ' ' TRP . . . . . . . . . . . . . 53.2 m95 -61.6 -44.24 97.37 Favored 'General case' 0 N--CA 1.468 0.467 0 N-CA-C 113.803 1.038 . . . . 10.0 113.803 175.672 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 87' ' ' ARG . . . . . . . . . . . . . 13.8 tpt180 -55.16 -50.58 68.94 Favored 'General case' 0 N--CA 1.473 0.697 0 CA-C-N 118.762 0.71 . . . . 10.0 111.081 171.196 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 88' ' ' LEU . . . . . . . . . . . . . 52.4 tp -55.95 -50.72 70.0 Favored 'General case' 0 CA--C 1.54 0.592 0 C-N-CA 124.472 1.109 . . . . 10.0 112.796 175.947 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 89' ' ' ILE . . . . . . . . . . . . . 62.9 mt -51.61 -51.22 27.34 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.684 0 C-N-CA 124.262 1.025 . . . . 10.0 110.632 174.143 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 94.5 mttt -58.31 -45.81 87.31 Favored 'General case' 0 N--CA 1.472 0.665 0 C-N-CA 124.212 1.005 . . . . 10.0 113.219 176.049 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 67.2 mm-40 -53.97 -50.71 65.91 Favored 'General case' 0 N--CA 1.474 0.743 0 CA-C-N 119.538 1.063 . . . . 10.0 112.046 171.686 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 92' ' ' ILE . . . . . . . . . . . . . 96.8 mt -58.65 -51.18 75.04 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.94 0 C-N-CA 124.383 1.073 . . . . 10.0 111.558 175.471 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 93' ' ' CYS . . . . . . . . . . . . . 66.5 m -57.36 -41.83 80.9 Favored 'General case' 0 CA--C 1.546 0.806 0 C-N-CA 124.505 1.122 . . . . 10.0 112.4 177.919 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 23.8 t -61.7 -45.22 94.93 Favored 'General case' 0 N--CA 1.474 0.73 0 C-N-CA 126.027 1.731 . . . . 10.0 112.747 171.318 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . -60.47 -48.32 82.26 Favored 'General case' 0 CA--C 1.543 0.688 0 C-N-CA 125.513 1.525 . . . . 10.0 113.713 -177.033 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 96' ' ' LYS . . . . . . . . . . . . . 1.5 ptpm? -61.72 139.73 58.28 Favored 'General case' 0 N--CA 1.481 1.117 0 C-N-CA 123.555 0.742 . . . . 10.0 111.701 173.79 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 97' ' ' HIS . . . . . . . . . . . . . 2.2 m-70 -138.02 167.49 21.67 Favored 'General case' 0 N--CA 1.479 1.014 0 C-N-CA 126.592 1.957 . . . . 10.0 112.04 -173.535 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 98' ' ' CYS . . . . . . . . . . . . . 33.7 m -112.04 131.49 55.39 Favored 'General case' 0 N--CA 1.469 0.511 0 C-N-CA 125.151 1.38 . . . . 10.0 111.652 174.78 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 99' ' ' ASP . . . . . . . . . . . . . 16.5 m-20 -60.32 -36.63 78.37 Favored 'General case' 0 N--CA 1.473 0.692 0 C-N-CA 124.705 1.202 . . . . 10.0 113.243 179.665 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 100' ' ' PHE . . . . . . . . . . . . . 2.0 p90 -69.79 -11.87 61.19 Favored 'General case' 0 CA--C 1.544 0.737 0 N-CA-C 115.341 1.608 . . . . 10.0 115.341 -178.907 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 101' ' ' TRP . . . . . . . . . . . . . 25.3 m0 -59.0 141.14 54.72 Favored 'General case' 0 N--CA 1.471 0.62 0 CA-C-N 119.675 1.125 . . . . 10.0 113.075 -177.819 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 102' ' ' LEU . . . . . . . . . . . . . 2.5 pt? -140.86 158.35 44.08 Favored 'General case' 0 CA--C 1.541 0.617 0 C-N-CA 127.021 2.128 . . . . 10.0 112.255 -169.755 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 8.0 tp10 -64.31 -52.94 56.03 Favored 'General case' 0 CA--C 1.544 0.73 0 C-N-CA 124.836 1.254 . . . . 10.0 112.689 -174.899 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 104' ' ' ARG . . . . . . . . . . . . . 38.2 mtm105 -138.12 -77.07 0.38 Allowed 'General case' 0 N--CA 1.478 0.931 0 C-N-CA 125.771 1.628 . . . . 10.0 112.027 -179.055 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 105' ' ' GLY . . . . . . . . . . . . . . . 179.6 -67.76 0.07 OUTLIER Glycine 0 CA--C 1.532 1.137 0 C-N-CA 125.134 1.35 . . . . 10.0 112.857 -173.322 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 106' ' ' ALA . . . . . . . . . . . . . . . -142.23 161.64 37.51 Favored 'General case' 0 CA--C 1.546 0.811 0 C-N-CA 125.618 1.567 . . . . 10.0 112.719 -177.476 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 107' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.255 1.366 0 C-N-CA 126.583 1.953 . . . . 10.0 112.044 -179.712 . . . . . . . . 0 0 . 1 . 019 nuclear build full ' A' A ' 1' ' ' ARG . . . . . . . . . . . . . 48.0 ptt85 . . . . . 0 N--CA 1.491 1.601 0 N-CA-C 111.769 0.285 . . . . 10.0 111.769 . . . . . . . . . 0 0 . 1 . 019 nuclear build full ' A' A ' 2' ' ' VAL . . . . . . . . . . . . . 87.6 t -63.44 137.39 24.76 Favored 'Isoleucine or valine' 0 N--CA 1.479 1.022 0 C-N-CA 124.802 1.241 . . . . 10.0 110.151 169.772 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -72.63 130.74 41.27 Favored 'General case' 0 CA--C 1.543 0.688 0 C-N-CA 124.106 0.962 . . . . 10.0 111.764 173.388 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 2.9 pm0 -64.55 -16.29 62.38 Favored 'General case' 0 CA--C 1.543 0.675 0 C-N-CA 126.689 1.995 . . . . 10.0 113.861 174.142 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 5' ' ' ASN . . . . . . . . . . . . . 52.8 t30 -135.66 59.76 1.71 Allowed 'General case' 0 CA--C 1.545 0.771 0 C-N-CA 126.382 1.873 . . . . 10.0 110.113 174.889 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 26.2 ptt-85 -71.26 150.55 94.36 Favored Pre-proline 0 N--CA 1.475 0.796 0 C-N-CA 127.203 2.201 . . . . 10.0 112.25 173.195 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 7' ' ' PRO . . . . . . . . . . . . . 41.2 Cg_endo -61.66 119.3 6.36 Favored 'Trans proline' 0 CA--C 1.538 0.724 0 C-N-CA 122.925 2.417 . . . . 10.0 111.104 179.198 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . 116.32 -16.29 14.96 Favored Glycine 0 CA--C 1.539 1.537 0 C-N-CA 127.156 2.312 . . . . 10.0 113.671 -169.971 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -61.13 133.53 56.1 Favored 'General case' 0 CA--C 1.546 0.798 0 CA-C-N 119.599 1.699 . . . . 10.0 113.722 -171.004 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 10' ' ' PHE . . . . . . . . . . . . . 13.3 m-30 -57.64 142.83 43.57 Favored 'General case' 0 CA--C 1.543 0.695 0 C-N-CA 125.417 1.487 . . . . 10.0 113.043 172.315 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 52.6 mt -120.79 95.39 3.53 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.576 0 C-N-CA 125.523 1.529 . . . . 10.0 107.468 169.725 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 89.0 mttt -86.89 123.67 32.27 Favored 'General case' 0 N--CA 1.473 0.702 0 C-N-CA 125.265 1.426 . . . . 10.0 109.672 177.256 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 75.5 mt-30 -120.75 -41.48 2.57 Favored 'General case' 0 N--CA 1.474 0.735 0 C-N-CA 124.569 1.147 . . . . 10.0 112.836 -171.717 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . 90.41 42.58 5.15 Favored Glycine 0 CA--C 1.533 1.175 0 C-N-CA 126.114 1.816 . . . . 10.0 111.257 -169.912 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 69.4 ttp85 -121.12 84.97 2.32 Favored 'General case' 0 N--CA 1.473 0.678 0 C-N-CA 126.564 1.946 . . . . 10.0 109.957 -171.028 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 76.0 tttt -55.23 111.62 0.9 Allowed 'General case' 0 N--CA 1.475 0.806 0 C-N-CA 126.717 2.007 . . . . 10.0 112.355 -171.548 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 79.0 mt -85.15 179.1 7.31 Favored 'General case' 0 CA--C 1.545 0.775 0 C-N-CA 126.409 1.883 . . . . 10.0 112.687 -174.741 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 19.8 t0 -129.58 92.17 3.29 Favored 'General case' 0 CA--C 1.543 0.711 0 C-N-CA 125.895 1.678 . . . . 10.0 110.71 175.657 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . 51.0 mt -134.3 138.73 49.44 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.759 0 C-N-CA 127.959 2.504 . . . . 10.0 108.452 179.677 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 26.7 t0 -86.24 112.03 20.98 Favored 'General case' 0 CA--C 1.538 0.509 0 CA-C-O 121.373 0.606 . . . . 10.0 110.185 169.465 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 21' ' ' PHE . . . . . . . . . . . . . 72.6 m-85 -98.62 -3.6 35.78 Favored 'General case' 0 CA--C 1.543 0.708 0 C-N-CA 127.998 2.519 . . . . 10.0 112.675 173.995 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 88.97 152.87 26.45 Favored Glycine 0 CA--C 1.536 1.376 0 C-N-CA 125.723 1.63 . . . . 10.0 110.043 -168.822 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -40.72 -56.62 2.11 Favored 'General case' 0 CA--C 1.547 0.855 0 N-CA-C 115.678 1.733 . . . . 10.0 115.678 -169.605 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 37.2 tt0 -61.78 -44.91 95.94 Favored 'General case' 0 CA--C 1.545 0.75 0 C-N-CA 124.675 1.19 . . . . 10.0 112.505 179.793 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -66.92 -39.17 93.29 Favored Glycine 0 CA--C 1.535 1.327 0 C-N-CA 124.748 1.166 . . . . 10.0 113.905 176.027 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 95.4 m-20 -57.79 -49.13 77.64 Favored 'General case' 0 CA--C 1.534 0.34 0 C-N-CA 125.652 1.581 . . . . 10.0 110.683 174.764 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 98.7 mtt180 -57.47 -46.13 84.03 Favored 'General case' 0 N--CA 1.475 0.811 0 C-N-CA 124.499 1.119 . . . . 10.0 111.62 174.555 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 28' ' ' TYR . . . . . . . . . . . . . 71.0 t80 -60.48 -53.46 57.25 Favored 'General case' 0 CA--C 1.537 0.444 0 C-N-CA 124.04 0.936 . . . . 10.0 112.359 178.175 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 29' ' ' TYR . . . . . . . . . . . . . 76.2 t80 -56.2 -52.11 65.61 Favored 'General case' 0 N--CA 1.468 0.439 0 C-N-CA 123.898 0.879 . . . . 10.0 112.19 175.555 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -49.68 -36.57 25.43 Favored 'General case' 0 CA--C 1.545 0.754 0 C-N-CA 124.373 1.069 . . . . 10.0 113.79 178.636 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -87.21 -28.19 22.54 Favored 'General case' 0 CA--C 1.551 1.006 0 C-N-CA 125.696 1.598 . . . . 10.0 115.166 176.738 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 32' ' ' ASN . . . . . . . . . . . . . 55.9 m-80 -122.9 8.79 9.36 Favored 'General case' 0 N--CA 1.477 0.881 0 N-CA-C 116.534 2.05 . . . . 10.0 116.534 -169.12 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 33' ' ' TYR . . . . . . . . . . . . . 52.9 p90 -46.35 -36.76 6.66 Favored 'General case' 0 N--CA 1.477 0.89 0 C-N-CA 126.466 1.907 . . . . 10.0 115.069 -176.401 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 34' ' ' TRP . . . . . . . . . . . . . 63.7 p-90 -48.6 -33.67 10.21 Favored 'General case' 0 CA--C 1.546 0.809 0 C-N-CA 126.24 1.816 . . . . 10.0 114.632 174.92 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 29.8 mt-30 -71.73 -30.29 65.46 Favored 'General case' 0 N--CA 1.472 0.653 0 C-N-CA 125.061 1.344 . . . . 10.0 114.571 177.296 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 36' ' ' PHE . . . . . . . . . . . . . 64.7 m-85 -78.47 153.31 78.86 Favored Pre-proline 0 CA--C 1.544 0.741 0 N-CA-C 115.178 1.547 . . . . 10.0 115.178 -168.808 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 84.1 Cg_endo -74.18 103.64 1.71 Allowed 'Trans proline' 0 CA--C 1.539 0.765 0 C-N-CA 123.979 3.12 . . . . 10.0 110.029 169.636 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 69.2 m-20 -70.04 -22.5 63.08 Favored 'General case' 0 CA--C 1.545 0.775 0 O-C-N 121.218 -0.926 . . . . 10.0 112.261 176.326 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . -139.08 170.69 23.97 Favored Glycine 0 CA--C 1.537 1.415 0 C-N-CA 127.208 2.337 . . . . 10.0 111.083 169.468 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 40' ' ' ILE . . . . . . . . . . . . . 91.6 mt -137.45 125.58 32.39 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.858 0 C-N-CA 124.63 1.172 . . . . 10.0 109.046 176.56 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 41' ' ' TYR . . . . . . . . . . . . . 91.2 t80 -74.16 106.62 5.91 Favored 'General case' 0 CA--C 1.534 0.362 0 C-N-CA 124.102 0.961 . . . . 10.0 109.879 171.005 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 42' ' ' TYR . . . . . . . . . . . . . 55.1 t80 -154.73 141.62 19.15 Favored 'General case' 0 N--CA 1.467 0.409 0 C-N-CA 123.791 0.836 . . . . 10.0 111.886 175.747 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 51.8 mt-10 -119.94 95.83 4.92 Favored 'General case' 0 N--CA 1.469 0.505 0 C-N-CA 125.868 1.667 . . . . 10.0 109.57 178.79 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . -83.59 -69.09 1.39 Allowed Glycine 0 CA--C 1.527 0.825 0 C-N-CA 124.625 1.107 . . . . 10.0 114.421 -169.811 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 45' ' ' CYS . . . . . . . . . . . . . 26.7 p -70.68 140.21 51.43 Favored 'General case' 0 CA--C 1.544 0.712 0 N-CA-C 113.069 0.766 . . . . 10.0 113.069 -173.058 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 62.1 m -124.82 -28.16 3.54 Favored 'General case' 0 N--CA 1.479 0.991 0 C-N-CA 125.787 1.635 . . . . 10.0 113.675 178.617 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 47' ' ' GLU . . . . . 0.449 ' O ' HG12 ' A' ' 50' ' ' VAL . 13.0 pt-20 -147.73 150.57 34.55 Favored 'General case' 0 N--CA 1.472 0.672 0 C-N-CA 126.035 1.734 . . . . 10.0 111.668 -177.826 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -54.01 -26.61 27.18 Favored 'General case' 0 CA--C 1.549 0.931 0 N-CA-C 115.175 1.546 . . . . 10.0 115.175 -175.314 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 77.2 m-20 -65.25 -29.29 70.07 Favored 'General case' 0 CA--C 1.546 0.799 0 C-N-CA 125.401 1.48 . . . . 10.0 113.836 176.997 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 50' ' ' VAL . . . . . 0.449 HG12 ' O ' ' A' ' 47' ' ' GLU . 5.0 p -62.89 136.1 26.41 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.892 0 C-N-CA 124.084 0.954 . . . . 10.0 111.857 -176.962 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 73.5 p -101.49 167.89 9.86 Favored 'General case' 0 N--CA 1.474 0.747 0 C-N-CA 124.46 1.104 . . . . 10.0 111.794 -173.838 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 87.3 tttt -59.33 -47.98 83.36 Favored 'General case' 0 N--CA 1.469 0.515 0 C-N-CA 123.197 0.599 . . . . 10.0 110.684 169.837 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 2.4 mp0 -48.34 -51.58 25.5 Favored 'General case' 0 CA--C 1.54 0.591 0 C-N-CA 124.828 1.251 . . . . 10.0 112.273 173.732 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 54' ' ' MET . . . . . . . . . . . . . 31.3 mtm -56.77 -56.61 19.31 Favored 'General case' 0 N--CA 1.469 0.497 0 C-N-CA 123.818 0.847 . . . . 10.0 112.606 171.64 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 9.7 tt -55.42 -53.73 52.63 Favored 'General case' 0 N--CA 1.471 0.58 0 C-N-CA 124.689 1.196 . . . . 10.0 112.979 -177.192 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 60.7 t -60.4 -48.97 86.14 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.812 0 C-N-CA 125.444 1.498 . . . . 10.0 111.208 -177.364 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 57' ' ' THR . . . . . . . . . . . . . 48.0 m -59.69 -49.04 79.31 Favored 'General case' 0 N--CA 1.476 0.863 0 C-N-CA 124.047 0.939 . . . . 10.0 111.542 175.86 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 38.8 m -60.38 -39.73 88.31 Favored 'General case' 0 N--CA 1.472 0.626 0 C-N-CA 124.165 0.986 . . . . 10.0 112.349 177.519 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 59' ' ' CYS . . . . . . . . . . . . . 39.7 t -58.19 -49.58 76.56 Favored 'General case' 0 CA--C 1.537 0.446 0 C-N-CA 125.557 1.543 . . . . 10.0 112.877 173.329 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 60' ' ' VAL . . . . . . . . . . . . . 54.5 t -55.36 -49.96 68.9 Favored 'Isoleucine or valine' 0 N--CA 1.479 0.977 0 CA-C-N 119.076 0.853 . . . . 10.0 111.267 172.051 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 61' ' ' ASN . . . . . . . . . . . . . 16.4 m-80 -57.83 -45.21 86.51 Favored 'General case' 0 CA--C 1.545 0.762 0 C-N-CA 124.528 1.131 . . . . 10.0 113.189 176.551 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -62.09 -48.09 81.74 Favored 'General case' 0 CA--C 1.536 0.44 0 C-N-CA 124.064 0.945 . . . . 10.0 111.366 175.396 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 63' ' ' THR . . . . . . . . . . . . . 30.8 m -54.71 -49.64 70.23 Favored 'General case' 0 N--CA 1.471 0.589 0 C-N-CA 124.98 1.312 . . . . 10.0 111.58 176.316 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 64' ' ' GLN . . . . . . . . . . . . . 81.8 mt-30 -48.8 -60.0 3.1 Favored 'General case' 0 N--CA 1.471 0.585 0 C-N-CA 125.531 1.532 . . . . 10.0 112.133 172.17 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -56.82 -43.0 80.6 Favored 'General case' 0 CA--C 1.545 0.765 0 C-N-CA 125.317 1.447 . . . . 10.0 113.577 179.681 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -69.06 -39.83 78.9 Favored 'General case' 0 CA--C 1.543 0.701 0 C-N-CA 124.969 1.308 . . . . 10.0 114.433 -178.832 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 67' ' ' ASN . . . . . . . . . . . . . 8.3 m-80 -118.12 39.69 3.34 Favored 'General case' 0 N--CA 1.475 0.794 0 C-N-CA 124.162 0.985 . . . . 10.0 112.71 -169.72 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 68' ' ' GLN . . . . . . . . . . . . . 64.1 mt-30 -52.44 -44.86 65.72 Favored 'General case' 0 N--CA 1.475 0.781 0 C-N-CA 125.61 1.564 . . . . 10.0 112.861 179.427 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -54.28 -49.33 69.84 Favored 'General case' 0 CA--C 1.542 0.659 0 C-N-CA 124.944 1.298 . . . . 10.0 112.636 175.609 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 11.1 mm-40 -59.79 -48.34 82.08 Favored 'General case' 0 N--CA 1.47 0.573 0 C-N-CA 124.192 0.997 . . . . 10.0 111.973 178.1 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 71' ' ' PHE . . . . . . . . . . . . . 25.7 m-85 -65.48 -24.13 67.08 Favored 'General case' 0 N--CA 1.472 0.658 0 N-CA-C 113.919 1.081 . . . . 10.0 113.919 176.541 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 21.7 t -71.33 -56.71 5.44 Favored 'General case' 0 N--CA 1.47 0.542 0 C-N-CA 124.234 1.013 . . . . 10.0 110.575 169.384 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 73' ' ' ARG . . . . . . . . . . . . . 91.4 mtt180 -55.52 -61.39 2.38 Favored 'General case' 0 N--CA 1.476 0.858 0 C-N-CA 127.351 2.261 . . . . 10.0 113.294 179.628 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 77.3 mm-40 -87.13 52.11 2.42 Favored 'General case' 0 N--CA 1.468 0.452 0 C-N-CA 126.454 1.902 . . . . 10.0 112.84 -169.34 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 4.8 ttpm? -147.32 -53.19 0.21 Allowed 'General case' 0 N--CA 1.472 0.646 0 C-N-CA 125.104 1.362 . . . . 10.0 113.225 -176.994 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 76' ' ' GLN . . . . . . . . . . . . . 13.8 mm100 -57.02 -61.94 2.09 Favored 'General case' 0 N--CA 1.472 0.659 0 C-N-CA 124.613 1.165 . . . . 10.0 111.911 -172.085 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 31.4 t70 -82.79 -51.61 7.5 Favored 'General case' 0 CA--C 1.542 0.635 0 C-N-CA 124.363 1.065 . . . . 10.0 110.995 169.85 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 16.6 m -75.72 55.55 0.87 Allowed 'General case' 0 CA--C 1.544 0.729 0 C-N-CA 126.648 1.979 . . . . 10.0 113.322 -177.035 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 64.3 mttp -54.2 -50.99 65.81 Favored 'General case' 0 N--CA 1.479 0.982 0 C-N-CA 125.853 1.661 . . . . 10.0 113.036 -176.833 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 50.3 tp -57.45 -35.16 69.76 Favored 'General case' 0 N--CA 1.472 0.647 0 C-N-CA 125.295 1.438 . . . . 10.0 113.122 177.613 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 81' ' ' HIS . . . . . . . . . . . . . 6.9 t-160 -53.25 -46.16 69.09 Favored 'General case' 0 N--CA 1.469 0.52 0 C-N-CA 124.004 0.922 . . . . 10.0 111.82 -178.368 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 82' ' ' GLN . . . . . . . . . . . . . 85.0 mm-40 -48.06 -55.63 9.71 Favored 'General case' 0 N--CA 1.474 0.775 0 C-N-CA 124.431 1.092 . . . . 10.0 113.227 177.742 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 83' ' ' ARG . . . . . . . . . . . . . 48.3 ttt85 -46.95 -60.07 2.68 Favored 'General case' 0 N--CA 1.481 1.096 0 C-N-CA 124.839 1.256 . . . . 10.0 111.502 177.761 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 84' ' ' VAL . . . . . . . . . . . . . 12.7 t -60.91 -50.47 80.4 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.505 0 C-N-CA 125.941 1.696 . . . . 10.0 110.687 -176.823 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 85' ' ' LEU . . . . . . . . . . . . . 29.9 tp -57.12 -50.39 72.95 Favored 'General case' 0 CA--C 1.539 0.522 0 C-N-CA 126.194 1.798 . . . . 10.0 112.363 178.935 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 86' ' ' TRP . . . . . . . . . . . . . 66.8 m95 -62.17 -44.77 95.86 Favored 'General case' 0 N--CA 1.469 0.496 0 N-CA-C 113.696 0.998 . . . . 10.0 113.696 175.734 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 87' ' ' ARG . . . . . . . . . . . . . 25.5 tpt180 -54.6 -49.32 70.74 Favored 'General case' 0 N--CA 1.474 0.728 0 C-N-CA 123.426 0.69 . . . . 10.0 111.015 172.788 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 88' ' ' LEU . . . . . . . . . . . . . 57.4 tp -57.42 -54.0 51.74 Favored 'General case' 0 CA--C 1.54 0.593 0 C-N-CA 124.19 0.996 . . . . 10.0 112.831 174.091 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 89' ' ' ILE . . . . . . . . . . . . . 68.3 mt -51.04 -52.69 17.05 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.825 0 C-N-CA 124.333 1.053 . . . . 10.0 110.758 176.749 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 95.9 mttt -59.72 -45.14 93.07 Favored 'General case' 0 N--CA 1.47 0.536 0 C-N-CA 124.538 1.135 . . . . 10.0 112.968 178.105 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 22.3 mm-40 -56.1 -49.01 75.06 Favored 'General case' 0 CA--C 1.541 0.601 0 CA-C-N 119.316 0.962 . . . . 10.0 112.376 171.417 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 92' ' ' ILE . . . . . . . . . . . . . 90.5 mt -57.07 -52.36 57.12 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.955 0 C-N-CA 124.537 1.135 . . . . 10.0 111.449 174.434 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 93' ' ' CYS . . . . . . . . . . . . . 83.0 m -55.94 -46.44 78.52 Favored 'General case' 0 CA--C 1.543 0.693 0 C-N-CA 124.293 1.037 . . . . 10.0 112.065 177.479 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 56.1 m -60.03 -44.73 94.43 Favored 'General case' 0 N--CA 1.476 0.841 0 C-N-CA 125.699 1.6 . . . . 10.0 112.99 174.054 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . -64.28 -50.89 66.1 Favored 'General case' 0 CA--C 1.54 0.565 0 C-N-CA 125.488 1.515 . . . . 10.0 113.032 -178.416 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 96' ' ' LYS . . . . . . . . . . . . . 7.5 ptmm? -67.52 92.28 0.31 Allowed 'General case' 0 N--CA 1.476 0.874 0 C-N-CA 124.343 1.057 . . . . 10.0 112.935 -173.107 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 97' ' ' HIS . . . . . . . . . . . . . 6.4 m80 -73.17 153.5 40.68 Favored 'General case' 0 N--CA 1.476 0.831 0 C-N-CA 124.893 1.277 . . . . 10.0 112.343 179.898 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 98' ' ' CYS . . . . . . . . . . . . . 38.4 t -70.11 147.29 50.13 Favored 'General case' 0 CA--C 1.544 0.74 0 C-N-CA 123.335 0.654 . . . . 10.0 111.243 169.376 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 99' ' ' ASP . . . . . . . . . . . . . 31.7 t70 -65.22 -43.62 90.89 Favored 'General case' 0 CA--C 1.545 0.768 0 C-N-CA 124.584 1.154 . . . . 10.0 113.533 176.36 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 100' ' ' PHE . . . . . . . . . . . . . 9.1 p90 -101.35 8.14 42.43 Favored 'General case' 0 CA--C 1.546 0.798 0 N-CA-C 115.884 1.809 . . . . 10.0 115.884 -169.572 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 101' ' ' TRP . . . . . . . . . . . . . 7.9 m0 -56.49 126.07 24.89 Favored 'General case' 0 N--CA 1.475 0.817 0 CA-C-N 120.004 1.275 . . . . 10.0 112.767 177.79 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 102' ' ' LEU . . . . . . . . . . . . . 75.9 mt -74.51 157.37 35.64 Favored 'General case' 0 CA--C 1.541 0.634 0 C-N-CA 126.064 1.746 . . . . 10.0 111.713 179.024 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 13.0 pt-20 -60.58 -37.76 82.37 Favored 'General case' 0 N--CA 1.476 0.831 0 C-N-CA 124.029 0.932 . . . . 10.0 113.247 176.252 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 104' ' ' ARG . . . . . . . . . . . . . 99.9 mtt180 -141.3 149.54 41.37 Favored 'General case' 0 N--CA 1.476 0.84 0 C-N-CA 127.776 2.43 . . . . 10.0 110.263 175.071 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 105' ' ' GLY . . . . . . . . . . . . . . . -178.96 -177.15 47.35 Favored Glycine 0 CA--C 1.535 1.321 0 C-N-CA 124.323 0.963 . . . . 10.0 113.944 -178.835 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 106' ' ' ALA . . . . . . . . . . . . . . . -145.87 176.85 9.37 Favored 'General case' 0 CA--C 1.548 0.882 0 C-N-CA 126.232 1.813 . . . . 10.0 112.024 -179.47 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 107' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.255 1.353 0 C-N-CA 126.593 1.957 . . . . 10.0 111.95 179.592 . . . . . . . . 0 0 . 1 . 020 nuclear build full ' A' A ' 1' ' ' ARG . . . . . . . . . . . . . 14.2 ptm180 . . . . . 0 N--CA 1.491 1.582 0 N-CA-C 111.301 0.112 . . . . 10.0 111.301 . . . . . . . . . 0 0 . 1 . 020 nuclear build full ' A' A ' 2' ' ' VAL . . . . . . . . . . . . . 11.9 p -62.23 -49.33 84.43 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.114 0 C-N-CA 125.004 1.322 . . . . 10.0 113.207 -177.037 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -152.42 155.21 37.12 Favored 'General case' 0 CA--C 1.538 0.498 0 C-N-CA 125.647 1.579 . . . . 10.0 111.518 -177.047 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 1.1 pm0 -68.19 -19.55 64.78 Favored 'General case' 0 CA--C 1.542 0.642 0 C-N-CA 125.025 1.33 . . . . 10.0 113.683 172.467 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 5' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER -139.06 59.77 1.61 Allowed 'General case' 0 CA--C 1.547 0.846 0 C-N-CA 125.816 1.647 . . . . 10.0 110.684 -179.868 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 7.4 ptm180 -74.1 161.87 76.48 Favored Pre-proline 0 N--CA 1.478 0.944 0 C-N-CA 125.005 1.322 . . . . 10.0 112.122 170.263 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 7' ' ' PRO . . . . . . . . . . . . . 80.8 Cg_exo -46.91 122.4 6.09 Favored 'Trans proline' 0 CA--C 1.537 0.655 0 C-N-CA 123.483 2.788 . . . . 10.0 112.483 169.97 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . 116.4 -21.13 11.96 Favored Glycine 0 CA--C 1.539 1.538 0 C-N-CA 127.558 2.504 . . . . 10.0 113.476 -169.672 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -59.31 135.03 57.52 Favored 'General case' 0 CA--C 1.545 0.785 0 CA-C-N 119.183 1.492 . . . . 10.0 114.149 -170.292 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 10' ' ' PHE . . . . . . . . . . . . . 15.4 m-30 -58.54 143.09 47.08 Favored 'General case' 0 CA--C 1.542 0.637 0 C-N-CA 125.834 1.654 . . . . 10.0 113.261 173.893 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 35.8 mt -126.26 93.28 2.25 Favored 'Isoleucine or valine' 0 CA--C 1.537 0.453 0 C-N-CA 125.183 1.393 . . . . 10.0 107.247 169.548 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 92.7 mttt -86.92 116.89 25.29 Favored 'General case' 0 N--CA 1.472 0.654 0 C-N-CA 125.942 1.697 . . . . 10.0 109.636 175.134 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 60.1 mt-30 -120.2 -45.83 2.43 Favored 'General case' 0 N--CA 1.47 0.55 0 C-N-CA 126.022 1.729 . . . . 10.0 110.648 -175.805 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . 119.1 84.35 0.91 Allowed Glycine 0 N--CA 1.469 0.857 0 C-N-CA 125.827 1.68 . . . . 10.0 110.875 175.982 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 48.6 ttm-85 -143.08 143.99 32.07 Favored 'General case' 0 N--CA 1.473 0.701 0 C-N-CA 125.496 1.518 . . . . 10.0 111.828 -169.605 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 75.3 tttt -117.58 96.87 5.59 Favored 'General case' 0 N--CA 1.472 0.643 0 C-N-CA 125.839 1.655 . . . . 10.0 110.58 -179.948 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 77.3 mt -78.78 -179.92 6.82 Favored 'General case' 0 CA--C 1.545 0.754 0 C-N-CA 126.411 1.884 . . . . 10.0 112.54 -177.848 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 20.1 t0 -128.12 101.73 6.4 Favored 'General case' 0 CA--C 1.542 0.635 0 C-N-CA 125.86 1.664 . . . . 10.0 110.33 172.729 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . 76.8 mt -135.69 131.76 50.81 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.726 0 C-N-CA 127.226 2.21 . . . . 10.0 107.93 -179.796 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 24.2 t0 -85.3 88.44 7.49 Favored 'General case' 0 CA--C 1.542 0.636 0 CA-C-O 122.163 0.982 . . . . 10.0 110.587 169.91 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 21' ' ' PHE . . . . . . . . . . . . . 84.1 m-85 -66.81 -39.44 87.72 Favored 'General case' 0 CA--C 1.54 0.582 0 C-N-CA 126.349 1.859 . . . . 10.0 111.705 169.944 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 128.03 154.99 8.56 Favored Glycine 0 CA--C 1.534 1.224 0 C-N-CA 128.143 2.782 . . . . 10.0 109.589 -169.639 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -39.87 -57.31 1.61 Allowed 'General case' 0 CA--C 1.547 0.862 0 N-CA-C 115.641 1.719 . . . . 10.0 115.641 -169.604 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 36.2 tt0 -63.69 -45.22 91.02 Favored 'General case' 0 CA--C 1.544 0.739 0 C-N-CA 124.61 1.164 . . . . 10.0 112.767 179.592 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -66.67 -38.54 93.28 Favored Glycine 0 CA--C 1.535 1.294 0 C-N-CA 124.988 1.28 . . . . 10.0 114.122 177.183 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 86.8 m-20 -57.71 -49.88 75.05 Favored 'General case' 0 CA--C 1.536 0.435 0 C-N-CA 126.007 1.723 . . . . 10.0 110.364 173.764 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 99.1 mtt180 -59.29 -45.88 90.05 Favored 'General case' 0 N--CA 1.475 0.776 0 C-N-CA 124.792 1.237 . . . . 10.0 111.492 176.002 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 28' ' ' TYR . . . . . . . . . . . . . 79.2 t80 -58.39 -56.25 24.47 Favored 'General case' 0 CA--C 1.536 0.417 0 C-N-CA 124.256 1.022 . . . . 10.0 112.186 176.469 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 29' ' ' TYR . . . . . . . . . . . . . 76.2 t80 -56.14 -50.34 71.38 Favored 'General case' 0 N--CA 1.468 0.451 0 C-N-CA 123.877 0.871 . . . . 10.0 112.193 177.858 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -51.41 -29.58 16.33 Favored 'General case' 0 CA--C 1.546 0.81 0 N-CA-C 114.241 1.2 . . . . 10.0 114.241 177.675 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -95.99 -24.8 16.2 Favored 'General case' 0 CA--C 1.551 1.017 0 C-N-CA 126.05 1.74 . . . . 10.0 114.884 176.987 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 32' ' ' ASN . . . . . . . . . . . . . 55.8 m-80 -124.43 7.23 8.34 Favored 'General case' 0 CA--C 1.546 0.825 0 N-CA-C 116.065 1.876 . . . . 10.0 116.065 -169.323 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 33' ' ' TYR . . . . . . . . . . . . . 51.5 p90 -43.36 -39.0 2.95 Favored 'General case' 0 N--CA 1.476 0.839 0 C-N-CA 127.511 2.324 . . . . 10.0 114.927 -179.731 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 34' ' ' TRP . . . . . . . . . . . . . 64.2 p-90 -49.9 -33.5 17.46 Favored 'General case' 0 CA--C 1.546 0.794 0 C-N-CA 126.555 1.942 . . . . 10.0 114.663 176.527 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 31.3 mt-30 -70.01 -34.69 73.63 Favored 'General case' 0 N--CA 1.473 0.678 0 C-N-CA 124.73 1.212 . . . . 10.0 114.082 177.476 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 36' ' ' PHE . . . . . . . . . . . . . 44.3 m-85 -70.4 147.82 95.22 Favored Pre-proline 0 CA--C 1.545 0.776 0 C-N-CA 125.197 1.399 . . . . 10.0 113.695 -169.276 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 96.8 Cg_endo -74.52 97.31 1.03 Allowed 'Trans proline' 0 C--N 1.348 0.546 0 C-N-CA 123.95 3.1 . . . . 10.0 110.096 170.432 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 4.5 p-10 -71.23 -17.85 62.48 Favored 'General case' 0 CA--C 1.545 0.756 0 O-C-N 121.108 -0.995 . . . . 10.0 113.347 -179.297 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . -126.71 159.52 20.95 Favored Glycine 0 CA--C 1.536 1.388 0 C-N-CA 126.288 1.899 . . . . 10.0 110.385 168.728 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 40' ' ' ILE . . . . . . . . . . . . . 81.5 mt -137.75 124.57 28.29 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.841 0 C-N-CA 124.529 1.132 . . . . 10.0 109.224 175.371 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 41' ' ' TYR . . . . . . . . . . . . . 54.0 t80 -73.47 94.78 2.14 Favored 'General case' 0 CA--C 1.535 0.365 0 C-N-CA 124.687 1.195 . . . . 10.0 110.277 172.102 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 42' ' ' TYR . . . . . . . . . . . . . 91.2 t80 -154.38 139.31 17.24 Favored 'General case' 0 N--CA 1.467 0.412 0 C-N-CA 124.538 1.135 . . . . 10.0 110.589 174.142 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 44.1 mt-10 -134.28 85.3 2.18 Favored 'General case' 0 CA--C 1.54 0.574 0 C-N-CA 125.789 1.636 . . . . 10.0 110.008 -176.665 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . -80.8 -25.71 55.48 Favored Glycine 0 CA--C 1.534 1.241 0 C-N-CA 124.755 1.169 . . . . 10.0 115.159 -173.378 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 45' ' ' CYS . . . . . . . . . . . . . 69.0 m -61.7 119.31 8.46 Favored 'General case' 0 CA--C 1.543 0.685 0 C-N-CA 125.945 1.698 . . . . 10.0 112.42 -177.461 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 56.6 p -142.23 -77.74 0.26 Allowed 'General case' 0 N--CA 1.471 0.605 0 C-N-CA 125.406 1.482 . . . . 10.0 111.784 -178.902 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 31.4 mm-40 -93.96 145.37 24.69 Favored 'General case' 0 N--CA 1.469 0.494 0 C-N-CA 126.147 1.779 . . . . 10.0 112.212 -176.287 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -55.48 -31.16 61.76 Favored 'General case' 0 CA--C 1.547 0.847 0 C-N-CA 124.818 1.247 . . . . 10.0 113.342 172.729 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 32.1 m120 -68.47 -23.48 64.59 Favored 'General case' 0 CA--C 1.545 0.77 0 C-N-CA 126.355 1.862 . . . . 10.0 114.084 176.56 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 50' ' ' VAL . . . . . 0.494 HG13 ' HE1' ' A' ' 101' ' ' TRP . 0.3 OUTLIER -63.93 154.52 6.56 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.957 0 C-N-CA 123.77 0.828 . . . . 10.0 111.192 178.532 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 27.0 p -130.43 172.34 11.98 Favored 'General case' 0 N--CA 1.479 0.98 0 C-N-CA 125.051 1.34 . . . . 10.0 111.705 -177.188 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 37.5 ttpt -60.78 -50.76 72.14 Favored 'General case' 0 N--CA 1.471 0.609 0 O-C-N 121.763 -0.586 . . . . 10.0 111.816 171.432 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 47.4 mt-10 -51.56 -47.01 63.62 Favored 'General case' 0 N--CA 1.474 0.734 0 C-N-CA 123.488 0.715 . . . . 10.0 112.199 176.997 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 54' ' ' MET . . . . . . . . . . . . . 99.2 mtp -58.11 -57.82 11.17 Favored 'General case' 0 CA--C 1.539 0.52 0 C-N-CA 124.024 0.929 . . . . 10.0 112.292 171.15 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 10.0 tt -57.26 -51.94 67.33 Favored 'General case' 0 N--CA 1.467 0.413 0 C-N-CA 124.242 1.017 . . . . 10.0 112.642 -176.279 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 40.7 t -60.91 -47.3 94.04 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.739 0 C-N-CA 124.732 1.213 . . . . 10.0 111.11 -177.31 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 57' ' ' THR . . . . . . . . . . . . . 58.5 m -57.78 -51.34 69.97 Favored 'General case' 0 N--CA 1.476 0.871 0 C-N-CA 123.998 0.919 . . . . 10.0 111.612 173.629 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 7.0 t -59.92 -42.26 93.52 Favored 'General case' 0 N--CA 1.471 0.575 0 C-N-CA 124.268 1.027 . . . . 10.0 112.566 177.967 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 59' ' ' CYS . . . . . . . . . . . . . 40.9 t -57.84 -50.1 74.44 Favored 'General case' 0 CA--C 1.536 0.405 0 C-N-CA 126.376 1.87 . . . . 10.0 112.667 173.209 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 60' ' ' VAL . . . . . . . . . . . . . 40.3 t -54.83 -48.81 73.37 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.933 0 C-N-CA 124.272 1.029 . . . . 10.0 111.363 172.442 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 61' ' ' ASN . . . . . . . . . . . . . 18.0 m-80 -59.11 -45.66 90.31 Favored 'General case' 0 CA--C 1.546 0.807 0 C-N-CA 124.658 1.183 . . . . 10.0 113.254 174.808 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -60.69 -45.69 93.23 Favored 'General case' 0 CA--C 1.538 0.482 0 C-N-CA 124.473 1.109 . . . . 10.0 111.332 174.908 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 63' ' ' THR . . . . . . . . . . . . . 36.8 m -56.3 -48.14 77.26 Favored 'General case' 0 N--CA 1.471 0.576 0 C-N-CA 125.561 1.544 . . . . 10.0 111.653 175.928 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 64' ' ' GLN . . . . . . . . . . . . . 70.8 mt-30 -50.51 -59.89 3.56 Favored 'General case' 0 N--CA 1.47 0.565 0 C-N-CA 124.096 0.958 . . . . 10.0 111.687 170.71 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -56.45 -41.66 76.86 Favored 'General case' 0 CA--C 1.545 0.776 0 C-N-CA 125.85 1.66 . . . . 10.0 114.044 -178.615 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -69.44 -37.7 77.49 Favored 'General case' 0 CA--C 1.541 0.625 0 C-N-CA 125.141 1.377 . . . . 10.0 114.262 178.969 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 67' ' ' ASN . . . . . . . . . . . . . 7.2 m-80 -122.39 39.78 3.83 Favored 'General case' 0 CA--C 1.546 0.794 0 C-N-CA 124.28 1.032 . . . . 10.0 112.639 -169.769 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 68' ' ' GLN . . . . . . . . . . . . . 88.0 mt-30 -52.81 -47.99 67.25 Favored 'General case' 0 N--CA 1.475 0.782 0 C-N-CA 125.29 1.436 . . . . 10.0 113.105 -176.34 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -55.47 -50.27 70.32 Favored 'General case' 0 CA--C 1.542 0.664 0 C-N-CA 125.066 1.346 . . . . 10.0 112.852 179.354 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 12.3 mm-40 -52.96 -53.88 43.29 Favored 'General case' 0 N--CA 1.472 0.668 0 C-N-CA 125.094 1.358 . . . . 10.0 111.621 178.788 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 71' ' ' PHE . . . . . . . . . . . . . 40.4 m-85 -59.36 -57.16 14.22 Favored 'General case' 0 CA--C 1.535 0.402 0 C-N-CA 123.603 0.761 . . . . 10.0 111.903 175.377 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 62.7 m -53.5 -48.25 69.14 Favored 'General case' 0 N--CA 1.474 0.764 0 C-N-CA 125.493 1.517 . . . . 10.0 113.349 -175.118 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 73' ' ' ARG . . . . . . . . . . . . . 99.0 mtt180 -57.57 -56.63 19.45 Favored 'General case' 0 N--CA 1.475 0.791 0 C-N-CA 125.349 1.46 . . . . 10.0 111.996 177.386 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 30.2 mt-10 -69.1 -46.39 67.84 Favored 'General case' 0 CA--C 1.538 0.498 0 N-CA-C 113.698 0.999 . . . . 10.0 113.698 -174.76 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 21.7 ttmm -43.72 -35.46 1.85 Allowed 'General case' 0 N--CA 1.484 1.238 0 C-N-CA 127.782 2.433 . . . . 10.0 114.839 -177.315 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 76' ' ' GLN . . . . . . . . . . . . . 17.6 mm100 -51.29 -35.63 38.52 Favored 'General case' 0 CA--C 1.544 0.712 0 C-N-CA 126.015 1.726 . . . . 10.0 114.04 175.45 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 32.6 t70 -133.17 -39.92 0.92 Allowed 'General case' 0 N--CA 1.474 0.757 0 C-N-CA 125.755 1.622 . . . . 10.0 113.411 -172.895 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -80.31 53.84 1.87 Allowed 'General case' 0 CA--C 1.544 0.731 0 C-N-CA 126.951 2.1 . . . . 10.0 112.833 -175.015 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 5.3 mptp? -55.0 -48.7 72.99 Favored 'General case' 0 N--CA 1.479 0.997 0 C-N-CA 125.741 1.616 . . . . 10.0 112.673 -175.287 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 50.1 tp -58.04 -50.41 73.52 Favored 'General case' 0 N--CA 1.47 0.545 0 C-N-CA 124.761 1.225 . . . . 10.0 111.962 173.935 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 81' ' ' HIS . . . . . . . . . . . . . 17.8 t-160 -50.44 -47.94 56.57 Favored 'General case' 0 N--CA 1.473 0.686 0 CA-C-O 118.296 -0.859 . . . . 10.0 111.791 -178.868 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 82' ' ' GLN . . . . . . . . . . . . . 83.9 mm-40 -45.94 -55.62 6.54 Favored 'General case' 0 N--CA 1.474 0.761 0 C-N-CA 124.566 1.146 . . . . 10.0 112.619 177.967 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 83' ' ' ARG . . . . . . . . . . . . . 10.9 mpt_? -57.68 -53.93 52.58 Favored 'General case' 0 N--CA 1.479 1.023 0 C-N-CA 124.673 1.189 . . . . 10.0 111.792 -178.206 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 84' ' ' VAL . . . . . . . . . . . . . 20.0 t -56.93 -51.71 64.91 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.775 0 C-N-CA 125.561 1.544 . . . . 10.0 110.597 177.938 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 85' ' ' LEU . . . . . . . . . . . . . 41.4 tp -55.19 -48.93 73.11 Favored 'General case' 0 CA--C 1.536 0.426 0 C-N-CA 126.529 1.932 . . . . 10.0 112.753 177.078 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 86' ' ' TRP . . . . . . . . . . . . . 55.5 m95 -61.31 -44.31 97.42 Favored 'General case' 0 N--CA 1.47 0.54 0 N-CA-C 113.821 1.045 . . . . 10.0 113.821 175.464 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 87' ' ' ARG . . . . . . . . . . . . . 44.6 tpt85 -57.76 -45.44 85.92 Favored 'General case' 0 N--CA 1.476 0.845 0 C-N-CA 123.71 0.804 . . . . 10.0 112.292 173.764 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 88' ' ' LEU . . . . . . . . . . . . . 2.1 tm? -59.93 -52.59 64.75 Favored 'General case' 0 CA--C 1.542 0.657 0 C-N-CA 126.929 2.092 . . . . 10.0 111.93 173.204 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 89' ' ' ILE . . . . . . . . . . . . . 65.3 mt -51.71 -51.29 27.91 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.78 0 C-N-CA 124.322 1.049 . . . . 10.0 110.453 173.971 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 39.6 ttmt -57.5 -43.57 84.31 Favored 'General case' 0 N--CA 1.471 0.601 0 C-N-CA 124.506 1.122 . . . . 10.0 113.108 176.588 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 27.2 tp10 -53.14 -52.33 59.08 Favored 'General case' 0 N--CA 1.472 0.635 0 CA-C-N 119.222 0.919 . . . . 10.0 111.949 172.643 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 92' ' ' ILE . . . . . . . . . . . . . 97.4 mt -59.7 -50.26 80.68 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.752 0 C-N-CA 124.649 1.18 . . . . 10.0 111.303 176.18 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 93' ' ' CYS . . . . . . . . . . . . . 60.8 m -54.88 -45.17 74.61 Favored 'General case' 0 CA--C 1.546 0.808 0 C-N-CA 124.766 1.226 . . . . 10.0 112.464 176.654 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 13.5 t -58.91 -46.2 88.47 Favored 'General case' 0 N--CA 1.476 0.846 0 C-N-CA 125.073 1.349 . . . . 10.0 112.856 171.458 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . -58.07 -41.98 84.55 Favored 'General case' 0 CA--C 1.547 0.85 0 C-N-CA 125.084 1.354 . . . . 10.0 114.3 -176.868 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 96' ' ' LYS . . . . . . . . . . . . . 1.3 ptpm? -73.89 55.0 0.53 Allowed 'General case' 0 N--CA 1.486 1.332 0 C-N-CA 125.663 1.585 . . . . 10.0 113.925 179.171 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 97' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -65.33 149.37 50.1 Favored 'General case' 0 N--CA 1.474 0.763 0 C-N-CA 127.562 2.345 . . . . 10.0 114.251 179.204 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 98' ' ' CYS . . . . . . . . . . . . . 15.6 m -88.17 129.26 35.38 Favored 'General case' 0 CA--C 1.54 0.595 0 C-N-CA 123.942 0.897 . . . . 10.0 111.325 172.425 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 99' ' ' ASP . . . . . . . . . . . . . 6.6 p-10 -64.58 -32.58 74.3 Favored 'General case' 0 CA--C 1.545 0.755 0 C-N-CA 124.421 1.088 . . . . 10.0 113.816 179.698 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 100' ' ' PHE . . . . . . . . . . . . . 14.6 p90 -78.52 -5.79 53.66 Favored 'General case' 0 CA--C 1.543 0.706 0 N-CA-C 115.376 1.621 . . . . 10.0 115.376 -176.041 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 101' ' ' TRP . . . . . 0.494 ' HE1' HG13 ' A' ' 50' ' ' VAL . 17.0 m0 -53.06 121.53 7.61 Favored 'General case' 0 N--CA 1.474 0.732 0 CA-C-N 119.809 1.186 . . . . 10.0 113.303 -175.972 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 102' ' ' LEU . . . . . . . . . . . . . 83.4 mt -74.84 165.22 25.59 Favored 'General case' 0 CA--C 1.543 0.696 0 C-N-CA 126.44 1.896 . . . . 10.0 112.479 -175.716 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 46.6 mt-10 -67.67 105.66 1.97 Allowed 'General case' 0 CA--C 1.544 0.738 0 C-N-CA 124.197 0.999 . . . . 10.0 110.945 173.294 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 104' ' ' ARG . . . . . . . . . . . . . 83.6 mtp180 -71.65 156.12 39.74 Favored 'General case' 0 N--CA 1.476 0.829 0 C-N-CA 125.297 1.439 . . . . 10.0 112.678 -178.767 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 105' ' ' GLY . . . . . . . . . . . . . . . -165.09 156.64 28.74 Favored Glycine 0 CA--C 1.535 1.285 0 C-N-CA 125.684 1.611 . . . . 10.0 112.613 176.784 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 106' ' ' ALA . . . . . . . . . . . . . . . -147.98 167.47 24.8 Favored 'General case' 0 CA--C 1.546 0.81 0 C-N-CA 125.649 1.579 . . . . 10.0 112.283 -178.33 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 107' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.254 1.315 0 C-N-CA 126.678 1.991 . . . . 10.0 111.921 178.451 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A ' 5' ' ' ASN . . . . . . . . . . . . . 1.3 t30 . . . . . 0 CA--C 1.55 0.978 0 CA-C-O 122.059 0.933 . . . . 10.0 109.989 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 22.7 ptt-85 -92.87 151.6 40.9 Favored Pre-proline 0 N--CA 1.478 0.961 0 C-N-CA 127.552 2.341 . . . . 10.0 111.382 178.965 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 7' ' ' PRO . . . . . . . . . . . . . 31.6 Cg_endo -59.0 117.94 4.75 Favored 'Trans proline' 0 CA--C 1.538 0.717 0 C-N-CA 122.89 2.393 . . . . 10.0 111.234 -177.553 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . 115.95 -17.02 15.51 Favored Glycine 0 CA--C 1.54 1.65 0 C-N-CA 127.507 2.479 . . . . 10.0 113.899 -169.802 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -61.11 134.1 56.7 Favored 'General case' 0 CA--C 1.545 0.759 0 CA-C-N 119.799 1.799 . . . . 10.0 113.268 -172.09 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 10' ' ' PHE . . . . . . . . . . . . . 20.6 m-30 -60.15 148.2 36.98 Favored 'General case' 0 CA--C 1.541 0.634 0 C-N-CA 124.314 1.046 . . . . 10.0 113.406 174.592 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 67.4 mt -122.38 96.97 4.42 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.506 0 C-N-CA 125.97 1.708 . . . . 10.0 107.061 169.664 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 84.0 mttt -92.07 89.35 6.91 Favored 'General case' 0 N--CA 1.474 0.746 0 C-N-CA 125.111 1.364 . . . . 10.0 110.554 -177.652 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 26.4 mt-30 -79.19 -24.61 43.05 Favored 'General case' 0 CA--C 1.541 0.617 0 C-N-CA 124.099 0.959 . . . . 10.0 111.753 171.995 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . 82.74 6.83 88.11 Favored Glycine 0 CA--C 1.536 1.401 0 C-N-CA 125.025 1.298 . . . . 10.0 114.232 -179.569 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 46.4 ttp180 -69.83 128.33 36.01 Favored 'General case' 0 N--CA 1.47 0.561 0 C-N-CA 127.028 2.131 . . . . 10.0 110.877 177.553 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 48.8 tttm -70.75 133.97 47.03 Favored 'General case' 0 N--CA 1.474 0.751 0 C-N-CA 123.778 0.831 . . . . 10.0 110.66 171.655 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 62.3 mt -105.79 -179.78 4.04 Favored 'General case' 0 CA--C 1.546 0.79 0 C-N-CA 126.918 2.087 . . . . 10.0 111.986 177.775 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 19.7 t0 -130.37 99.45 5.02 Favored 'General case' 0 CA--C 1.542 0.66 0 C-N-CA 126.037 1.735 . . . . 10.0 110.435 175.452 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . 70.0 mt -138.32 134.31 43.87 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.747 0 C-N-CA 127.45 2.3 . . . . 10.0 108.351 -177.64 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 23.6 t0 -86.46 93.13 9.06 Favored 'General case' 0 CA--C 1.541 0.62 0 CA-C-O 122.054 0.931 . . . . 10.0 110.347 169.781 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 21' ' ' PHE . . . . . . . . . . . . . 80.0 m-85 -74.18 -31.4 62.65 Favored 'General case' 0 CA--C 1.54 0.57 0 C-N-CA 126.493 1.917 . . . . 10.0 112.402 172.34 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 120.43 157.66 10.25 Favored Glycine 0 CA--C 1.532 1.14 0 C-N-CA 127.254 2.359 . . . . 10.0 109.914 -169.279 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -40.92 -59.07 1.53 Allowed 'General case' 0 CA--C 1.545 0.767 0 N-CA-C 115.198 1.555 . . . . 10.0 115.198 -169.68 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 9.2 mm-40 -63.12 -46.41 87.45 Favored 'General case' 0 N--CA 1.474 0.761 0 C-N-CA 124.016 0.927 . . . . 10.0 112.237 179.896 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -63.92 -39.14 97.03 Favored Glycine 0 CA--C 1.532 1.141 0 C-N-CA 124.645 1.117 . . . . 10.0 114.091 179.276 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 92.9 m-20 -58.05 -51.83 68.03 Favored 'General case' 0 CA--C 1.536 0.418 0 C-N-CA 126.041 1.736 . . . . 10.0 110.334 174.553 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 39.4 mtm105 -58.78 -46.76 86.79 Favored 'General case' 0 N--CA 1.477 0.914 0 C-N-CA 123.682 0.793 . . . . 10.0 111.823 174.372 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 28' ' ' TYR . . . . . . . . . . . . . 79.7 t80 -58.84 -53.15 61.65 Favored 'General case' 0 CA--C 1.535 0.403 0 C-N-CA 124.016 0.927 . . . . 10.0 112.144 179.851 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 29' ' ' TYR . . . . . . . . . . . . . 80.4 t80 -56.78 -52.05 66.55 Favored 'General case' 0 CA--C 1.536 0.405 0 C-N-CA 124.445 1.098 . . . . 10.0 112.312 175.708 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -50.72 -37.75 43.39 Favored 'General case' 0 CA--C 1.546 0.826 0 N-CA-C 113.541 0.941 . . . . 10.0 113.541 177.485 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -83.33 -23.69 32.43 Favored 'General case' 0 CA--C 1.551 1.006 0 N-CA-C 115.299 1.592 . . . . 10.0 115.299 176.452 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 32' ' ' ASN . . . . . . . . . . . . . 56.2 m-80 -129.93 11.47 5.6 Favored 'General case' 0 CA--C 1.549 0.92 0 N-CA-C 116.736 2.125 . . . . 10.0 116.736 -169.109 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 33' ' ' TYR . . . . . . . . . . . . . 44.4 p90 -50.59 -30.92 14.43 Favored 'General case' 0 N--CA 1.479 0.986 0 N-CA-C 115.207 1.558 . . . . 10.0 115.207 -174.635 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 34' ' ' TRP . . . . . . . . . . . . . 66.2 p-90 -50.03 -34.36 21.11 Favored 'General case' 0 CA--C 1.545 0.772 0 C-N-CA 126.189 1.795 . . . . 10.0 114.472 174.507 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 31.9 mt-30 -70.01 -32.62 70.87 Favored 'General case' 0 N--CA 1.474 0.743 0 N-CA-C 114.34 1.237 . . . . 10.0 114.34 178.552 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 36' ' ' PHE . . . . . . . . . . . . . 68.9 m-85 -79.21 154.94 77.23 Favored Pre-proline 0 CA--C 1.547 0.859 0 C-N-CA 126.221 1.809 . . . . 10.0 114.803 -168.954 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 69.7 Cg_endo -74.08 133.32 17.89 Favored 'Trans proline' 0 CA--C 1.541 0.858 0 C-N-CA 124.008 3.139 . . . . 10.0 110.983 169.866 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 6.3 t70 -85.13 -34.45 22.14 Favored 'General case' 0 N--CA 1.474 0.751 0 C-N-CA 124.067 0.947 . . . . 10.0 111.423 171.369 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . -133.68 174.62 20.67 Favored Glycine 0 CA--C 1.532 1.135 0 C-N-CA 125.686 1.612 . . . . 10.0 112.132 171.991 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 40' ' ' ILE . . . . . . . . . . . . . 96.3 mt -136.69 126.15 37.94 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.628 0 C-N-CA 125.069 1.347 . . . . 10.0 108.562 176.978 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 41' ' ' TYR . . . . . . . . . . . . . 75.5 t80 -71.95 95.48 1.58 Allowed 'General case' 0 CA--C 1.536 0.426 0 C-N-CA 124.077 0.951 . . . . 10.0 109.59 169.848 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 42' ' ' TYR . . . . . . . . . . . . . 88.7 t80 -153.71 134.63 13.86 Favored 'General case' 0 C--O 1.236 0.379 0 C-N-CA 124.924 1.29 . . . . 10.0 109.961 174.281 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 47.0 mt-10 -130.94 80.36 1.94 Allowed 'General case' 0 N--CA 1.469 0.511 0 C-N-CA 125.36 1.464 . . . . 10.0 110.293 -177.339 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . -69.65 -29.26 71.4 Favored Glycine 0 CA--C 1.536 1.362 0 C-N-CA 124.9 1.238 . . . . 10.0 114.006 178.379 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 45' ' ' CYS . . . . . . . . . . . . . 64.5 m -58.29 127.07 30.26 Favored 'General case' 0 CA--C 1.543 0.705 0 C-N-CA 126.293 1.837 . . . . 10.0 112.894 -178.533 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 23.8 t -141.7 -58.71 0.48 Allowed 'General case' 0 N--CA 1.471 0.606 0 C-N-CA 125.59 1.556 . . . . 10.0 111.505 177.207 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 11.2 pt-20 -148.12 160.38 42.96 Favored 'General case' 0 N--CA 1.472 0.645 0 C-N-CA 125.802 1.641 . . . . 10.0 112.006 -179.93 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -55.5 -22.29 20.45 Favored 'General case' 0 CA--C 1.545 0.772 0 N-CA-C 115.811 1.782 . . . . 10.0 115.811 -175.22 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 74.2 m-20 -64.05 -30.54 71.6 Favored 'General case' 0 CA--C 1.546 0.799 0 C-N-CA 124.349 1.06 . . . . 10.0 113.333 171.814 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . 48.5 t -66.11 126.78 26.13 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.842 0 C-N-CA 124.335 1.054 . . . . 10.0 109.02 169.908 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 3.3 m -110.11 165.55 11.66 Favored 'General case' 0 N--CA 1.481 1.095 0 C-N-CA 124.295 1.038 . . . . 10.0 110.328 -176.723 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 82.9 tttt -58.45 -50.63 73.01 Favored 'General case' 0 N--CA 1.472 0.668 0 O-C-N 121.043 -1.036 . . . . 10.0 112.486 177.775 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 46.0 mt-10 -51.62 -45.25 63.2 Favored 'General case' 0 N--CA 1.475 0.802 0 C-N-CA 124.008 0.923 . . . . 10.0 112.48 175.388 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 54' ' ' MET . . . . . . . . . . . . . 89.6 mtp -58.18 -55.33 36.36 Favored 'General case' 0 N--CA 1.471 0.583 0 C-N-CA 124.579 1.152 . . . . 10.0 111.49 172.4 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 8.9 tt -58.68 -52.6 65.02 Favored 'General case' 0 CA--C 1.534 0.348 0 C-N-CA 125.1 1.36 . . . . 10.0 112.773 -176.805 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 46.0 t -58.07 -48.8 83.44 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.909 0 C-N-CA 124.319 1.048 . . . . 10.0 111.051 -178.888 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 57' ' ' THR . . . . . . . . . . . . . 48.7 m -58.27 -50.3 74.09 Favored 'General case' 0 N--CA 1.476 0.856 0 C-N-CA 124.253 1.021 . . . . 10.0 111.781 174.949 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 50.1 m -60.96 -39.79 90.87 Favored 'General case' 0 N--CA 1.472 0.649 0 C-N-CA 124.279 1.032 . . . . 10.0 112.589 178.089 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 59' ' ' CYS . . . . . . . . . . . . . 38.2 t -58.89 -49.55 77.35 Favored 'General case' 0 CA--C 1.536 0.421 0 C-N-CA 126.06 1.744 . . . . 10.0 112.391 173.526 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 60' ' ' VAL . . . . . . . . . . . . . 54.3 t -54.7 -49.61 66.78 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.96 0 C-N-CA 123.931 0.892 . . . . 10.0 111.346 172.241 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 61' ' ' ASN . . . . . . . . . . . . . 19.6 m-80 -58.26 -46.04 86.72 Favored 'General case' 0 CA--C 1.546 0.802 0 C-N-CA 124.731 1.212 . . . . 10.0 113.18 175.558 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -60.88 -47.24 87.27 Favored 'General case' 0 CA--C 1.537 0.453 0 C-N-CA 124.469 1.108 . . . . 10.0 111.31 175.376 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 63' ' ' THR . . . . . . . . . . . . . 28.5 m -55.92 -48.43 75.7 Favored 'General case' 0 N--CA 1.471 0.622 0 C-N-CA 125.135 1.374 . . . . 10.0 111.611 176.916 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 64' ' ' GLN . . . . . . . . . . . . . 68.8 mt-30 -49.81 -60.2 3.12 Favored 'General case' 0 N--CA 1.47 0.573 0 C-N-CA 124.689 1.196 . . . . 10.0 111.843 171.138 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -56.09 -42.89 77.43 Favored 'General case' 0 CA--C 1.544 0.716 0 C-N-CA 125.624 1.569 . . . . 10.0 113.712 -179.29 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -68.61 -42.67 77.79 Favored 'General case' 0 CA--C 1.542 0.667 0 C-N-CA 124.996 1.318 . . . . 10.0 114.101 -179.241 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 67' ' ' ASN . . . . . . . . . . . . . 7.6 m-80 -115.88 39.46 3.03 Favored 'General case' 0 CA--C 1.546 0.789 0 C-N-CA 124.544 1.138 . . . . 10.0 112.532 -169.683 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 68' ' ' GLN . . . . . . . . . . . . . 59.5 mt-30 -51.49 -48.32 62.92 Favored 'General case' 0 N--CA 1.475 0.778 0 C-N-CA 125.631 1.572 . . . . 10.0 113.258 -177.141 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -55.11 -48.78 73.15 Favored 'General case' 0 CA--C 1.541 0.62 0 C-N-CA 125.088 1.355 . . . . 10.0 113.041 179.802 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 10.0 mm-40 -54.36 -56.47 18.23 Favored 'General case' 0 N--CA 1.473 0.693 0 C-N-CA 124.945 1.298 . . . . 10.0 111.165 179.111 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 71' ' ' PHE . . . . . . . . . . . . . 26.3 m-85 -58.33 -51.52 69.44 Favored 'General case' 0 CA--C 1.535 0.398 0 C-N-CA 124.327 1.051 . . . . 10.0 112.224 177.5 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 65.7 m -55.5 -49.69 71.91 Favored 'General case' 0 N--CA 1.474 0.761 0 C-N-CA 124.966 1.306 . . . . 10.0 113.036 -178.749 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 73' ' ' ARG . . . . . . . . . . . . . 98.2 mtt180 -59.84 -51.24 70.55 Favored 'General case' 0 N--CA 1.475 0.784 0 C-N-CA 125.536 1.534 . . . . 10.0 112.187 177.857 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 41.8 mm-40 -66.31 -60.01 3.17 Favored 'General case' 0 CA--C 1.541 0.6 0 C-N-CA 124.676 1.191 . . . . 10.0 113.135 -178.596 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 43.0 tttm -35.26 -51.46 0.57 Allowed 'General case' 0 N--CA 1.479 1.022 0 C-N-CA 128.505 2.722 . . . . 10.0 116.212 -169.957 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 76' ' ' GLN . . . . . . . . . . . . . 17.3 mm100 -60.34 -19.88 57.17 Favored 'General case' 0 CA--C 1.545 0.77 0 N-CA-C 114.566 1.321 . . . . 10.0 114.566 -172.433 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 32.2 t70 -130.32 -45.33 1.11 Allowed 'General case' 0 N--CA 1.473 0.713 0 C-N-CA 125.741 1.616 . . . . 10.0 112.579 175.608 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -78.91 53.91 1.48 Allowed 'General case' 0 CA--C 1.545 0.761 0 C-N-CA 127.937 2.495 . . . . 10.0 112.726 -175.436 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 99.3 mttt -59.21 -48.86 80.04 Favored 'General case' 0 N--CA 1.476 0.869 0 C-N-CA 125.806 1.642 . . . . 10.0 112.815 -175.023 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 44.8 tp -59.34 -44.93 92.59 Favored 'General case' 0 N--CA 1.47 0.569 0 C-N-CA 123.656 0.783 . . . . 10.0 111.817 173.963 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 81' ' ' HIS . . . . . . . . . . . . . 17.2 t-160 -52.02 -52.91 47.67 Favored 'General case' 0 N--CA 1.471 0.595 0 CA-C-O 118.384 -0.817 . . . . 10.0 111.477 176.753 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 82' ' ' GLN . . . . . . . . . . . . . 20.6 mm100 -49.68 -54.19 20.11 Favored 'General case' 0 N--CA 1.472 0.636 0 C-N-CA 123.814 0.846 . . . . 10.0 112.554 176.756 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 83' ' ' ARG . . . . . . . . . . . . . 71.5 ttt-85 -51.35 -56.6 12.22 Favored 'General case' 0 N--CA 1.478 0.941 0 C-N-CA 124.345 1.058 . . . . 10.0 112.329 178.052 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 84' ' ' VAL . . . . . . . . . . . . . 45.9 t -58.52 -50.55 78.51 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.924 0 C-N-CA 125.809 1.643 . . . . 10.0 110.984 179.119 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 85' ' ' LEU . . . . . . . . . . . . . 48.9 tp -55.18 -50.34 69.59 Favored 'General case' 0 CA--C 1.537 0.476 0 C-N-CA 126.446 1.898 . . . . 10.0 112.313 177.461 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 86' ' ' TRP . . . . . . . . . . . . . 61.0 m95 -60.82 -43.68 97.89 Favored 'General case' 0 N--CA 1.47 0.528 0 N-CA-C 113.885 1.069 . . . . 10.0 113.885 175.489 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 87' ' ' ARG . . . . . . . . . . . . . 37.4 tpt85 -55.68 -45.51 77.76 Favored 'General case' 0 N--CA 1.476 0.849 0 C-N-CA 123.602 0.761 . . . . 10.0 112.116 173.246 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 88' ' ' LEU . . . . . . . . . . . . . 34.1 tp -64.51 -49.69 70.32 Favored 'General case' 0 CA--C 1.541 0.61 0 C-N-CA 125.037 1.335 . . . . 10.0 112.956 173.289 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 89' ' ' ILE . . . . . . . . . . . . . 66.8 mt -50.04 -49.39 21.9 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.82 0 CA-C-N 119.422 1.01 . . . . 10.0 110.429 173.649 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 85.4 tttt -56.82 -47.88 79.29 Favored 'General case' 0 N--CA 1.469 0.477 0 CA-C-O 118.123 -0.942 . . . . 10.0 112.699 173.463 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 25.2 tp10 -51.35 -50.82 58.75 Favored 'General case' 0 N--CA 1.475 0.794 0 CA-C-N 119.816 1.189 . . . . 10.0 112.34 173.562 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 92' ' ' ILE . . . . . . . . . . . . . 93.8 mt -58.1 -52.44 58.59 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.771 0 C-N-CA 124.837 1.255 . . . . 10.0 111.155 175.442 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 93' ' ' CYS . . . . . . . . . . . . . 81.1 m -56.26 -45.94 79.87 Favored 'General case' 0 CA--C 1.545 0.787 0 C-N-CA 124.403 1.081 . . . . 10.0 112.639 178.066 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 58.0 m -60.38 -38.45 83.99 Favored 'General case' 0 N--CA 1.475 0.782 0 C-N-CA 125.552 1.541 . . . . 10.0 113.68 171.806 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . -64.95 -51.64 60.7 Favored 'General case' 0 CA--C 1.544 0.718 0 C-N-CA 124.569 1.148 . . . . 10.0 113.118 -179.372 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 96' ' ' LYS . . . . . . . . . . . . . 1.5 ptpm? -59.81 119.15 7.13 Favored 'General case' 0 N--CA 1.48 1.033 0 C-N-CA 123.772 0.829 . . . . 10.0 111.897 178.849 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 97' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER -130.62 141.96 50.44 Favored 'General case' 0 N--CA 1.468 0.459 0 C-N-CA 126.063 1.745 . . . . 10.0 113.957 -169.888 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 98' ' ' CYS . . . . . . . . . . . . . 34.1 m -83.43 131.77 35.01 Favored 'General case' 0 CA--C 1.537 0.473 0 C-N-CA 123.53 0.732 . . . . 10.0 112.256 -179.477 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 99' ' ' ASP . . . . . . . . . . . . . 31.9 t70 -59.21 -38.96 81.21 Favored 'General case' 0 CA--C 1.543 0.702 0 C-N-CA 124.778 1.231 . . . . 10.0 113.022 178.138 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 100' ' ' PHE . . . . . . . . . . . . . 5.8 p90 -68.96 -14.24 62.92 Favored 'General case' 0 CA--C 1.544 0.721 0 N-CA-C 115.39 1.626 . . . . 10.0 115.39 -178.838 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 101' ' ' TRP . . . . . . . . . . . . . 22.1 m0 . . . . . 0 N--CA 1.472 0.674 0 CA-C-N 120.067 1.303 . . . . 10.0 112.672 -176.494 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' A' A ' 5' ' ' ASN . . . . . . . . . . . . . 13.6 t-20 . . . . . 0 CA--C 1.548 0.894 0 CA-C-O 122.285 1.04 . . . . 10.0 110.71 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -83.34 157.84 64.55 Favored Pre-proline 0 CA--C 1.546 0.802 0 C-N-CA 127.011 2.124 . . . . 10.0 112.154 171.978 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 7' ' ' PRO . . . . . . . . . . . . . 82.4 Cg_exo -48.68 124.72 11.46 Favored 'Trans proline' 0 C--N 1.35 0.651 0 C-N-CA 123.984 3.123 . . . . 10.0 113.662 178.808 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . 112.17 -20.37 21.51 Favored Glycine 0 CA--C 1.534 1.257 0 C-N-CA 126.184 1.849 . . . . 10.0 114.149 -174.019 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -57.93 129.82 43.66 Favored 'General case' 0 CA--C 1.547 0.838 0 CA-C-N 119.318 1.559 . . . . 10.0 113.445 -171.793 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 10' ' ' PHE . . . . . . . . . . . . . 14.7 m-30 -57.16 144.84 33.44 Favored 'General case' 0 CA--C 1.541 0.625 0 C-N-CA 125.055 1.342 . . . . 10.0 112.816 173.628 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 73.7 mt -122.33 105.66 16.56 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.509 0 C-N-CA 125.357 1.463 . . . . 10.0 107.165 169.799 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 78.5 mttt -106.64 107.38 18.36 Favored 'General case' 0 N--CA 1.471 0.615 0 C-N-CA 126.063 1.745 . . . . 10.0 109.638 178.069 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 31.8 mt-30 -112.78 -40.47 4.01 Favored 'General case' 0 CA--C 1.538 0.512 0 C-N-CA 127.616 2.367 . . . . 10.0 110.789 -178.459 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . 106.35 62.72 0.6 Allowed Glycine 0 CA--C 1.528 0.891 0 C-N-CA 125.825 1.679 . . . . 10.0 111.038 179.351 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 57.7 ttp85 -136.4 102.54 4.99 Favored 'General case' 0 N--CA 1.469 0.523 0 C-N-CA 126.538 1.935 . . . . 10.0 110.42 -169.665 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 40.9 tttm -65.91 129.95 41.56 Favored 'General case' 0 N--CA 1.473 0.702 0 C-N-CA 124.391 1.076 . . . . 10.0 111.307 179.348 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 65.0 mt -95.2 -179.87 4.95 Favored 'General case' 0 CA--C 1.547 0.84 0 C-N-CA 126.451 1.9 . . . . 10.0 111.986 174.25 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 25.9 t70 -129.18 100.42 5.61 Favored 'General case' 0 CA--C 1.542 0.651 0 C-N-CA 125.365 1.466 . . . . 10.0 110.501 173.616 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . 73.1 mt -135.32 131.89 52.04 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.707 0 C-N-CA 127.472 2.309 . . . . 10.0 108.018 -176.097 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 24.1 t0 -89.74 84.68 6.3 Favored 'General case' 0 CA--C 1.54 0.576 0 CA-C-O 122.048 0.928 . . . . 10.0 110.955 172.529 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 21' ' ' PHE . . . . . . . . . . . . . 83.8 m-85 -62.91 -43.16 99.54 Favored 'General case' 0 CA--C 1.539 0.553 0 C-N-CA 127.0 2.12 . . . . 10.0 111.89 170.837 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 132.16 157.47 8.64 Favored Glycine 0 CA--C 1.532 1.115 0 C-N-CA 128.186 2.803 . . . . 10.0 109.087 -169.306 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -40.63 -59.29 1.4 Allowed 'General case' 0 CA--C 1.547 0.848 0 CA-C-N 119.354 1.577 . . . . 10.0 115.151 -169.612 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 5.3 tp10 -65.7 -40.11 91.95 Favored 'General case' 0 N--CA 1.474 0.76 0 C-N-CA 124.01 0.924 . . . . 10.0 112.869 -179.553 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -67.49 -41.63 90.14 Favored Glycine 0 CA--C 1.533 1.204 0 C-N-CA 124.41 1.005 . . . . 10.0 113.66 177.344 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 78.5 m-20 -56.09 -50.53 70.77 Favored 'General case' 0 CA--C 1.535 0.399 0 C-N-CA 126.434 1.894 . . . . 10.0 110.27 172.354 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 30.8 mtp85 -55.09 -51.83 65.13 Favored 'General case' 0 N--CA 1.475 0.807 0 C-N-CA 125.613 1.565 . . . . 10.0 111.151 174.122 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 28' ' ' TYR . . . . . . . . . . . . . 62.6 t80 -57.77 -54.81 42.7 Favored 'General case' 0 CA--C 1.536 0.429 0 C-N-CA 124.369 1.068 . . . . 10.0 112.675 179.148 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 29' ' ' TYR . . . . . . . . . . . . . 78.8 t80 -56.62 -52.39 65.03 Favored 'General case' 0 CA--C 1.537 0.481 0 C-N-CA 124.249 1.02 . . . . 10.0 112.204 177.028 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -51.06 -39.66 56.51 Favored 'General case' 0 CA--C 1.546 0.792 0 N-CA-C 113.507 0.929 . . . . 10.0 113.507 177.087 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -80.66 -26.16 37.8 Favored 'General case' 0 CA--C 1.551 1.004 0 N-CA-C 115.18 1.548 . . . . 10.0 115.18 176.562 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 32' ' ' ASN . . . . . . . . . . . . . 55.6 m-80 -127.93 10.69 6.5 Favored 'General case' 0 CA--C 1.548 0.866 0 N-CA-C 116.914 2.19 . . . . 10.0 116.914 -169.021 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 33' ' ' TYR . . . . . . . . . . . . . 47.3 p90 -50.24 -31.53 14.28 Favored 'General case' 0 N--CA 1.479 1.004 0 C-N-CA 125.394 1.477 . . . . 10.0 114.834 -175.371 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 34' ' ' TRP . . . . . . . . . . . . . 64.9 p-90 -50.64 -33.65 23.25 Favored 'General case' 0 CA--C 1.545 0.781 0 C-N-CA 126.142 1.777 . . . . 10.0 114.445 173.803 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 30.7 mt-30 -69.59 -35.64 75.52 Favored 'General case' 0 N--CA 1.474 0.731 0 C-N-CA 124.354 1.062 . . . . 10.0 113.491 176.392 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 36' ' ' PHE . . . . . . . . . . . . . 54.3 m-85 -76.57 153.16 83.56 Favored Pre-proline 0 CA--C 1.544 0.724 0 C-N-CA 125.887 1.675 . . . . 10.0 113.256 -169.652 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 87.7 Cg_endo -73.36 102.71 1.51 Allowed 'Trans proline' 0 CA--C 1.537 0.638 0 C-N-CA 123.428 2.752 . . . . 10.0 109.951 169.591 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 3.3 p30 -66.67 -27.82 67.96 Favored 'General case' 0 N--CA 1.474 0.77 0 O-C-N 120.777 -1.202 . . . . 10.0 112.292 176.402 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . -125.95 165.44 19.12 Favored Glycine 0 CA--C 1.536 1.376 0 C-N-CA 125.404 1.478 . . . . 10.0 111.332 169.105 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 40' ' ' ILE . . . . . . . . . . . . . 95.2 mt -136.68 124.73 34.13 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.781 0 C-N-CA 124.802 1.241 . . . . 10.0 108.717 173.408 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 41' ' ' TYR . . . . . . . . . . . . . 85.7 t80 -73.23 117.68 15.27 Favored 'General case' 0 CA--C 1.534 0.357 0 C-N-CA 124.047 0.939 . . . . 10.0 109.494 169.961 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 42' ' ' TYR . . . . . . . . . . . . . 79.6 t80 -152.63 154.29 35.05 Favored 'General case' 0 CA--C 1.54 0.567 0 C-N-CA 124.004 0.922 . . . . 10.0 111.611 176.611 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 44.7 mt-10 -125.88 94.21 4.05 Favored 'General case' 0 N--CA 1.469 0.514 0 C-N-CA 125.873 1.669 . . . . 10.0 110.233 -176.691 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . -90.96 -55.64 1.84 Allowed Glycine 0 CA--C 1.532 1.102 0 C-N-CA 125.166 1.365 . . . . 10.0 113.978 -172.618 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 45' ' ' CYS . . . . . . . . . . . . . 74.3 m -56.64 118.88 5.29 Favored 'General case' 0 CA--C 1.546 0.808 0 C-N-CA 125.426 1.491 . . . . 10.0 112.551 177.685 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 66.6 p -137.84 -58.72 0.67 Allowed 'General case' 0 N--CA 1.473 0.679 0 C-N-CA 126.175 1.79 . . . . 10.0 111.353 171.077 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 12.2 pt-20 -143.72 153.23 42.24 Favored 'General case' 0 CA--C 1.542 0.67 0 C-N-CA 126.168 1.787 . . . . 10.0 112.761 177.048 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -54.05 -25.37 21.17 Favored 'General case' 0 CA--C 1.546 0.793 0 C-N-CA 126.138 1.775 . . . . 10.0 115.423 -175.262 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 78.5 m-20 -60.61 -30.7 70.01 Favored 'General case' 0 CA--C 1.544 0.741 0 C-N-CA 124.675 1.19 . . . . 10.0 113.353 174.729 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . 59.8 t -65.52 109.9 1.1 Allowed 'Isoleucine or valine' 0 N--CA 1.477 0.879 0 C-N-CA 124.822 1.249 . . . . 10.0 110.183 175.475 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 44.2 p -83.01 174.97 10.41 Favored 'General case' 0 N--CA 1.478 0.943 0 C-N-CA 124.673 1.189 . . . . 10.0 112.113 175.771 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 84.9 tttt -60.03 -50.0 75.46 Favored 'General case' 0 N--CA 1.474 0.773 0 O-C-N 121.163 -0.961 . . . . 10.0 111.799 169.806 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 44.9 mt-10 -51.29 -48.6 62.22 Favored 'General case' 0 N--CA 1.471 0.594 0 C-N-CA 124.072 0.949 . . . . 10.0 111.726 175.428 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 54' ' ' MET . . . . . . . . . . . . . 97.2 mtp -57.07 -56.26 24.08 Favored 'General case' 0 N--CA 1.469 0.479 0 C-N-CA 124.027 0.931 . . . . 10.0 112.441 172.029 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 6.4 tt -58.47 -55.18 38.4 Favored 'General case' 0 CA--C 1.54 0.559 0 C-N-CA 124.943 1.297 . . . . 10.0 112.18 -174.616 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 99.6 t -57.42 -48.65 82.31 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.822 0 C-N-CA 125.679 1.592 . . . . 10.0 111.252 -179.722 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 57' ' ' THR . . . . . . . . . . . . . 63.8 m -61.42 -47.76 84.3 Favored 'General case' 0 N--CA 1.478 0.947 0 C-N-CA 124.183 0.993 . . . . 10.0 111.749 176.691 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 61.6 m -60.04 -38.57 83.16 Favored 'General case' 0 N--CA 1.47 0.554 0 C-N-CA 124.221 1.008 . . . . 10.0 112.357 176.57 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 59' ' ' CYS . . . . . . . . . . . . . 34.6 t -57.65 -49.64 75.79 Favored 'General case' 0 CA--C 1.539 0.524 0 C-N-CA 124.988 1.315 . . . . 10.0 112.9 171.588 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 60' ' ' VAL . . . . . . . . . . . . . 42.4 t -55.67 -48.98 77.06 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.135 0 CA-C-N 119.258 0.935 . . . . 10.0 111.585 172.666 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 61' ' ' ASN . . . . . . . . . . . . . 18.2 m-80 -58.78 -45.24 90.26 Favored 'General case' 0 CA--C 1.544 0.726 0 C-N-CA 124.554 1.142 . . . . 10.0 112.949 176.076 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -61.54 -46.15 91.14 Favored 'General case' 0 CA--C 1.538 0.516 0 C-N-CA 124.411 1.085 . . . . 10.0 111.371 175.032 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 63' ' ' THR . . . . . . . . . . . . . 33.9 m -54.87 -49.01 72.21 Favored 'General case' 0 N--CA 1.472 0.644 0 C-N-CA 125.447 1.499 . . . . 10.0 111.757 175.865 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 64' ' ' GLN . . . . . . . . . . . . . 71.2 mt-30 -50.26 -59.35 4.05 Favored 'General case' 0 N--CA 1.469 0.522 0 C-N-CA 124.594 1.157 . . . . 10.0 112.054 171.753 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -56.04 -42.19 76.17 Favored 'General case' 0 CA--C 1.546 0.798 0 C-N-CA 125.441 1.496 . . . . 10.0 113.744 179.819 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -70.65 -35.64 72.99 Favored 'General case' 0 CA--C 1.545 0.757 0 C-N-CA 125.234 1.414 . . . . 10.0 114.656 -178.788 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 67' ' ' ASN . . . . . . . . . . . . . 7.1 m-80 -124.73 40.35 3.76 Favored 'General case' 0 N--CA 1.476 0.845 0 C-N-CA 124.042 0.937 . . . . 10.0 113.108 -169.631 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 68' ' ' GLN . . . . . . . . . . . . . 92.1 mt-30 -52.89 -46.7 68.09 Favored 'General case' 0 N--CA 1.475 0.793 0 C-N-CA 125.806 1.642 . . . . 10.0 113.611 -176.046 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -55.03 -49.32 71.87 Favored 'General case' 0 CA--C 1.541 0.613 0 C-N-CA 124.993 1.317 . . . . 10.0 112.767 179.796 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 10.4 mm-40 -56.39 -51.57 67.83 Favored 'General case' 0 N--CA 1.471 0.582 0 C-N-CA 124.941 1.297 . . . . 10.0 111.862 178.831 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 71' ' ' PHE . . . . . . . . . . . . . 34.6 m-85 -61.03 -43.12 99.36 Favored 'General case' 0 N--CA 1.468 0.473 0 C-N-CA 123.749 0.819 . . . . 10.0 112.851 175.922 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 56.9 m -58.1 -49.96 75.15 Favored 'General case' 0 N--CA 1.473 0.71 0 C-N-CA 124.451 1.1 . . . . 10.0 112.187 176.195 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 73' ' ' ARG . . . . . . . . . . . . . 93.7 mtt180 -58.38 -61.16 2.78 Favored 'General case' 0 N--CA 1.475 0.808 0 C-N-CA 126.273 1.829 . . . . 10.0 111.994 176.252 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 67.1 mm-40 -79.92 47.23 0.86 Allowed 'General case' 0 N--CA 1.473 0.714 0 C-N-CA 125.821 1.648 . . . . 10.0 112.714 -173.854 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 84.4 tttt -147.29 -33.55 0.27 Allowed 'General case' 0 N--CA 1.475 0.795 0 C-N-CA 126.705 2.002 . . . . 10.0 113.32 178.758 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 76' ' ' GLN . . . . . . . . . . . . . 92.6 mm-40 -48.14 -48.12 34.37 Favored 'General case' 0 N--CA 1.476 0.865 0 C-N-CA 125.629 1.572 . . . . 10.0 113.185 -177.883 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 25.4 t0 -139.51 57.22 1.64 Allowed 'General case' 0 CA--C 1.545 0.763 0 C-N-CA 125.284 1.433 . . . . 10.0 110.344 169.947 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 10.7 t -153.54 131.2 11.5 Favored 'General case' 0 N--CA 1.472 0.656 0 C-N-CA 125.34 1.456 . . . . 10.0 111.46 -178.867 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 24.4 ttmm -124.57 -59.59 1.44 Allowed 'General case' 0 N--CA 1.478 0.933 0 C-N-CA 126.22 1.808 . . . . 10.0 111.358 -177.151 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 50.1 tp -51.25 -44.01 61.64 Favored 'General case' 0 CA--C 1.538 0.515 0 C-N-CA 125.514 1.525 . . . . 10.0 112.203 176.767 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 81' ' ' HIS . . . . . . . . . . . . . 8.7 t-160 -56.28 -54.16 48.72 Favored 'General case' 0 N--CA 1.468 0.462 0 CA-C-O 118.078 -0.963 . . . . 10.0 111.806 177.064 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 82' ' ' GLN . . . . . . . . . . . . . 89.2 mm-40 -49.9 -54.41 19.8 Favored 'General case' 0 N--CA 1.477 0.91 0 CA-C-N 119.539 1.063 . . . . 10.0 112.176 177.015 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 83' ' ' ARG . . . . . . . . . . . . . 25.7 mmm180 -50.98 -55.68 16.14 Favored 'General case' 0 N--CA 1.479 0.977 0 C-N-CA 124.916 1.287 . . . . 10.0 112.296 -179.817 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 84' ' ' VAL . . . . . . . . . . . . . 43.4 t -63.19 -49.51 82.91 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.819 0 C-N-CA 125.408 1.483 . . . . 10.0 111.108 178.292 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 85' ' ' LEU . . . . . . . . . . . . . 46.2 tp -56.29 -46.41 79.77 Favored 'General case' 0 N--CA 1.47 0.545 0 C-N-CA 126.277 1.831 . . . . 10.0 112.939 -179.923 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 86' ' ' TRP . . . . . . . . . . . . . 64.9 m95 -63.5 -44.21 94.98 Favored 'General case' 0 N--CA 1.467 0.408 0 N-CA-C 113.719 1.007 . . . . 10.0 113.719 175.841 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 87' ' ' ARG . . . . . . . . . . . . . 14.8 tpt180 -56.82 -50.82 71.23 Favored 'General case' 0 N--CA 1.475 0.794 0 CA-C-N 118.741 0.7 . . . . 10.0 111.507 170.585 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 88' ' ' LEU . . . . . . . . . . . . . 2.4 tm? -51.66 -55.07 21.54 Favored 'General case' 0 CA--C 1.544 0.726 0 C-N-CA 126.389 1.876 . . . . 10.0 111.782 175.44 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 89' ' ' ILE . . . . . . . . . . . . . 74.2 mt -53.53 -52.47 32.72 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.798 0 C-N-CA 124.683 1.193 . . . . 10.0 110.965 174.074 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 39.9 ttmt -58.84 -43.46 90.71 Favored 'General case' 0 N--CA 1.47 0.571 0 C-N-CA 124.431 1.092 . . . . 10.0 113.259 -179.688 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 51.4 mm-40 -56.35 -48.89 75.88 Favored 'General case' 0 N--CA 1.473 0.719 0 CA-C-N 119.713 1.142 . . . . 10.0 111.996 172.464 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 92' ' ' ILE . . . . . . . . . . . . . 96.8 mt -57.82 -51.42 70.54 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.802 0 C-N-CA 124.186 0.994 . . . . 10.0 111.115 174.296 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 93' ' ' CYS . . . . . . . . . . . . . 92.1 m -56.97 -45.47 82.89 Favored 'General case' 0 CA--C 1.546 0.798 0 C-N-CA 124.096 0.958 . . . . 10.0 112.66 175.603 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 70.5 m -54.76 -38.04 66.71 Favored 'General case' 0 N--CA 1.476 0.874 0 C-N-CA 125.989 1.716 . . . . 10.0 113.546 177.156 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . -67.17 -17.08 64.68 Favored 'General case' 0 CA--C 1.548 0.892 0 N-CA-C 114.789 1.403 . . . . 10.0 114.789 178.455 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 96' ' ' LYS . . . . . . . . . . . . . 46.4 mttm -77.25 59.62 1.82 Allowed 'General case' 0 N--CA 1.481 1.114 0 C-N-CA 125.6 1.56 . . . . 10.0 113.168 -173.929 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 97' ' ' HIS . . . . . 0.413 ' HA ' ' CZ3' ' A' ' 101' ' ' TRP . 0.3 OUTLIER -68.45 126.25 29.04 Favored 'General case' 0 N--CA 1.471 0.618 0 C-N-CA 124.665 1.186 . . . . 10.0 112.428 177.754 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 98' ' ' CYS . . . . . . . . . . . . . 17.7 t -82.28 144.67 30.45 Favored 'General case' 0 CA--C 1.542 0.641 0 N-CA-C 113.315 0.858 . . . . 10.0 113.315 -178.248 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 99' ' ' ASP . . . . . . . . . . . . . 31.5 t70 -61.46 -48.3 81.75 Favored 'General case' 0 CA--C 1.542 0.654 0 C-N-CA 125.995 1.718 . . . . 10.0 113.582 179.208 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 100' ' ' PHE . . . . . . . . . . . . . 1.0 OUTLIER -71.55 -10.45 59.78 Favored 'General case' 0 N--CA 1.473 0.681 0 N-CA-C 115.432 1.641 . . . . 10.0 115.432 -173.397 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 101' ' ' TRP . . . . . 0.413 ' CZ3' ' HA ' ' A' ' 97' ' ' HIS . 42.2 m0 . . . . . 0 N--CA 1.473 0.709 0 CA-C-N 119.684 1.129 . . . . 10.0 113.674 -176.986 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 5' ' ' ASN . . . . . . . . . . . . . 2.5 m120 . . . . . 0 CA--C 1.54 0.562 0 CA-C-O 122.347 1.07 . . . . 10.0 109.742 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 4.0 ptp180 -72.61 146.21 88.24 Favored Pre-proline 0 N--CA 1.475 0.816 0 C-N-CA 124.746 1.219 . . . . 10.0 109.7 169.162 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 7' ' ' PRO . . . . . . . . . . . . . 75.2 Cg_exo -50.58 114.77 1.6 Allowed 'Trans proline' 0 CA--C 1.541 0.828 0 C-N-CA 123.043 2.495 . . . . 10.0 112.414 175.77 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . 111.09 -10.99 29.21 Favored Glycine 0 CA--C 1.539 1.54 0 C-N-CA 126.404 1.954 . . . . 10.0 115.081 -173.95 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -59.2 130.64 47.94 Favored 'General case' 0 CA--C 1.545 0.769 0 CA-C-N 120.21 2.005 . . . . 10.0 113.405 -173.045 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 10' ' ' PHE . . . . . . . . . . . . . 15.3 m-30 -58.6 147.0 33.99 Favored 'General case' 0 CA--C 1.541 0.625 0 C-N-CA 123.853 0.861 . . . . 10.0 112.572 170.715 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 65.1 mt -120.92 94.93 3.23 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.468 0 C-N-CA 125.878 1.671 . . . . 10.0 106.995 169.725 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 58.5 mtmt -91.71 80.51 5.31 Favored 'General case' 0 N--CA 1.475 0.792 0 C-N-CA 125.598 1.559 . . . . 10.0 111.119 -173.303 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 24.3 mt-30 -74.21 -31.59 62.69 Favored 'General case' 0 N--CA 1.472 0.655 0 C-N-CA 123.795 0.838 . . . . 10.0 111.478 169.962 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . 74.35 58.91 4.07 Favored Glycine 0 CA--C 1.532 1.136 0 C-N-CA 124.895 1.236 . . . . 10.0 112.063 178.535 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 33.7 ttp180 -124.16 133.24 53.62 Favored 'General case' 0 N--CA 1.473 0.686 0 C-N-CA 127.226 2.211 . . . . 10.0 110.304 -172.359 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 79.8 tttt -73.21 100.93 3.22 Favored 'General case' 0 N--CA 1.475 0.777 0 C-N-CA 125.487 1.515 . . . . 10.0 111.888 -176.076 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 68.9 mt -78.95 163.21 25.42 Favored 'General case' 0 CA--C 1.544 0.734 0 C-N-CA 126.567 1.947 . . . . 10.0 112.356 177.109 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 11.4 m-20 -103.77 91.39 3.98 Favored 'General case' 0 CA--C 1.544 0.732 0 C-N-CA 126.112 1.765 . . . . 10.0 110.473 175.621 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . 78.9 mt -136.92 129.95 44.97 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.892 0 C-N-CA 126.608 1.963 . . . . 10.0 108.564 -179.202 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 23.0 t0 -92.23 84.93 5.29 Favored 'General case' 0 N--CA 1.471 0.588 0 C-N-CA 123.998 0.919 . . . . 10.0 110.594 172.525 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 21' ' ' PHE . . . . . . . . . . . . . 84.7 m-85 -63.78 -36.48 84.02 Favored 'General case' 0 CA--C 1.538 0.493 0 C-N-CA 127.104 2.161 . . . . 10.0 112.808 175.739 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 125.93 158.9 10.09 Favored Glycine 0 CA--C 1.533 1.211 0 C-N-CA 127.656 2.55 . . . . 10.0 110.154 -169.471 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -42.6 -57.05 2.85 Favored 'General case' 0 CA--C 1.548 0.868 0 N-CA-C 115.384 1.624 . . . . 10.0 115.384 -169.729 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 31.2 mm-40 -64.14 -47.39 80.12 Favored 'General case' 0 N--CA 1.473 0.716 0 C-N-CA 124.074 0.95 . . . . 10.0 112.188 178.973 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -64.15 -39.1 96.83 Favored Glycine 0 CA--C 1.532 1.096 0 C-N-CA 124.457 1.027 . . . . 10.0 113.975 179.832 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 94.2 m-20 -57.77 -51.39 69.74 Favored 'General case' 0 CA--C 1.536 0.431 0 C-N-CA 125.754 1.622 . . . . 10.0 110.452 173.651 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 72.9 mtp85 -58.57 -47.17 85.16 Favored 'General case' 0 N--CA 1.475 0.79 0 C-N-CA 124.938 1.295 . . . . 10.0 111.644 176.038 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 28' ' ' TYR . . . . . . . . . . . . . 71.5 t80 -59.19 -54.15 50.23 Favored 'General case' 0 CA--C 1.536 0.407 0 C-N-CA 124.574 1.149 . . . . 10.0 111.896 177.727 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 29' ' ' TYR . . . . . . . . . . . . . 74.0 t80 -56.64 -52.02 66.49 Favored 'General case' 0 CA--C 1.535 0.391 0 C-N-CA 124.917 1.287 . . . . 10.0 112.537 177.514 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -50.36 -35.77 29.41 Favored 'General case' 0 CA--C 1.546 0.809 0 N-CA-C 113.802 1.038 . . . . 10.0 113.802 177.06 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -86.25 -19.01 30.59 Favored 'General case' 0 CA--C 1.551 1.005 0 N-CA-C 115.151 1.537 . . . . 10.0 115.151 176.345 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 32' ' ' ASN . . . . . . . . . . . . . 64.0 m-80 -131.16 6.44 4.55 Favored 'General case' 0 CA--C 1.548 0.888 0 N-CA-C 116.842 2.164 . . . . 10.0 116.842 -169.239 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 33' ' ' TYR . . . . . . . . . . . . . 41.0 p90 -50.22 -29.85 10.32 Favored 'General case' 0 N--CA 1.479 0.976 0 C-N-CA 125.906 1.682 . . . . 10.0 115.256 -175.125 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 34' ' ' TRP . . . . . . . . . . . . . 64.7 p-90 -51.34 -35.64 39.21 Favored 'General case' 0 CA--C 1.545 0.762 0 C-N-CA 126.138 1.775 . . . . 10.0 114.041 173.105 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 30.1 mt-30 -70.55 -39.56 73.9 Favored 'General case' 0 N--CA 1.473 0.709 0 C-N-CA 124.897 1.279 . . . . 10.0 113.801 177.731 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 36' ' ' PHE . . . . . . . . . . . . . 71.7 m-85 -68.52 153.45 95.71 Favored Pre-proline 0 CA--C 1.546 0.791 0 C-N-CA 125.823 1.649 . . . . 10.0 115.333 -168.968 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 97.4 Cg_endo -71.77 128.24 13.98 Favored 'Trans proline' 0 CA--C 1.539 0.754 0 C-N-CA 123.591 2.86 . . . . 10.0 110.449 169.803 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 8.6 t70 -84.7 -34.47 22.95 Favored 'General case' 0 CA--C 1.543 0.676 0 C-N-CA 124.977 1.311 . . . . 10.0 111.525 173.445 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . -131.87 172.02 21.12 Favored Glycine 0 CA--C 1.532 1.13 0 C-N-CA 125.835 1.683 . . . . 10.0 111.886 171.341 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 40' ' ' ILE . . . . . . . . . . . . . 96.8 mt -136.74 124.54 33.26 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.568 0 C-N-CA 125.038 1.335 . . . . 10.0 108.367 173.836 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 41' ' ' TYR . . . . . . . . . . . . . 86.3 t80 -71.61 101.15 2.44 Favored 'General case' 0 CA--C 1.538 0.496 0 C-N-CA 123.79 0.836 . . . . 10.0 110.05 170.272 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 42' ' ' TYR . . . . . . . . . . . . . 89.5 t80 -156.62 137.1 13.06 Favored 'General case' 0 CA--C 1.534 0.343 0 C-N-CA 125.337 1.455 . . . . 10.0 110.02 173.043 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 43.9 mt-10 -131.5 81.38 1.98 Allowed 'General case' 0 N--CA 1.47 0.551 0 C-N-CA 125.465 1.506 . . . . 10.0 110.462 -174.562 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . -76.09 -38.63 34.54 Favored Glycine 0 CA--C 1.534 1.255 0 C-N-CA 124.866 1.222 . . . . 10.0 113.848 -179.465 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 45' ' ' CYS . . . . . . . . . . . . . 63.8 m -55.83 112.15 1.1 Allowed 'General case' 0 CA--C 1.543 0.679 0 C-N-CA 125.995 1.718 . . . . 10.0 112.507 -176.782 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 49.6 m -131.83 -57.27 0.99 Allowed 'General case' 0 N--CA 1.474 0.75 0 C-N-CA 125.723 1.609 . . . . 10.0 111.713 -175.198 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 11.2 pt-20 -149.59 160.74 43.24 Favored 'General case' 0 CA--C 1.541 0.6 0 C-N-CA 125.943 1.697 . . . . 10.0 111.652 179.9 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -53.05 -27.45 19.84 Favored 'General case' 0 CA--C 1.547 0.829 0 C-N-CA 126.041 1.736 . . . . 10.0 115.358 -175.292 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 73.9 m-20 -62.43 -30.71 71.43 Favored 'General case' 0 CA--C 1.545 0.753 0 C-N-CA 124.65 1.18 . . . . 10.0 113.555 174.941 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . 61.7 t -68.47 117.57 10.9 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.884 0 C-N-CA 124.69 1.196 . . . . 10.0 109.692 173.792 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 44.8 p -97.55 176.64 5.78 Favored 'General case' 0 N--CA 1.478 0.948 0 C-N-CA 124.705 1.202 . . . . 10.0 112.354 179.428 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 39.8 ttpt -61.59 -56.09 23.73 Favored 'General case' 0 N--CA 1.473 0.677 0 C-N-CA 123.842 0.857 . . . . 10.0 112.177 172.132 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 12.6 pt-20 -54.16 -38.79 65.92 Favored 'General case' 0 N--CA 1.472 0.66 0 N-CA-C 112.747 0.647 . . . . 10.0 112.747 177.543 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 54' ' ' MET . . . . . . . . . . . . . 94.3 mtp -59.99 -58.21 9.54 Favored 'General case' 0 N--CA 1.469 0.494 0 C-N-CA 123.586 0.754 . . . . 10.0 111.527 169.564 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 9.4 tt -59.27 -53.89 53.11 Favored 'General case' 0 N--CA 1.467 0.385 0 C-N-CA 124.341 1.057 . . . . 10.0 112.768 -174.513 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 31.8 t -59.03 -47.46 89.88 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.851 0 C-N-CA 124.179 0.991 . . . . 10.0 111.019 -176.203 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 57' ' ' THR . . . . . . . . . . . . . 48.0 m -58.83 -50.3 74.48 Favored 'General case' 0 N--CA 1.477 0.884 0 C-N-CA 124.432 1.093 . . . . 10.0 111.873 173.939 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 50.5 m -60.44 -40.48 91.29 Favored 'General case' 0 N--CA 1.473 0.689 0 C-N-CA 124.106 0.962 . . . . 10.0 112.577 178.262 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 59' ' ' CYS . . . . . . . . . . . . . 42.2 t -58.92 -50.1 75.32 Favored 'General case' 0 CA--C 1.536 0.433 0 C-N-CA 125.999 1.72 . . . . 10.0 112.337 173.467 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 60' ' ' VAL . . . . . . . . . . . . . 45.6 t -54.29 -50.28 57.62 Favored 'Isoleucine or valine' 0 N--CA 1.479 1.002 0 C-N-CA 123.904 0.882 . . . . 10.0 111.302 171.657 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 61' ' ' ASN . . . . . . . . . . . . . 15.8 m-80 -57.94 -44.79 87.17 Favored 'General case' 0 CA--C 1.544 0.75 0 C-N-CA 124.59 1.156 . . . . 10.0 113.334 176.218 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -60.89 -48.65 80.85 Favored 'General case' 0 CA--C 1.539 0.554 0 C-N-CA 124.211 1.004 . . . . 10.0 111.056 174.116 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 63' ' ' THR . . . . . . . . . . . . . 32.4 m -53.67 -50.14 66.46 Favored 'General case' 0 N--CA 1.471 0.617 0 C-N-CA 125.571 1.548 . . . . 10.0 111.723 177.073 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 64' ' ' GLN . . . . . . . . . . . . . 42.1 mt-30 -47.35 -60.85 2.22 Favored 'General case' 0 N--CA 1.471 0.597 0 C-N-CA 125.432 1.493 . . . . 10.0 111.985 173.156 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -56.93 -42.86 80.8 Favored 'General case' 0 CA--C 1.544 0.713 0 C-N-CA 125.637 1.575 . . . . 10.0 113.227 179.462 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -67.16 -37.76 84.29 Favored 'General case' 0 CA--C 1.543 0.695 0 C-N-CA 125.221 1.409 . . . . 10.0 114.712 -178.131 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 67' ' ' ASN . . . . . . . . . . . . . 8.6 m-80 -122.05 41.14 3.46 Favored 'General case' 0 CA--C 1.548 0.87 0 C-N-CA 124.538 1.135 . . . . 10.0 112.68 -169.79 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 68' ' ' GLN . . . . . . . . . . . . . 60.3 mt-30 -54.24 -44.86 72.13 Favored 'General case' 0 N--CA 1.475 0.799 0 C-N-CA 125.461 1.504 . . . . 10.0 113.362 -178.684 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -56.88 -39.18 73.88 Favored 'General case' 0 CA--C 1.543 0.69 0 C-N-CA 124.969 1.308 . . . . 10.0 113.279 177.683 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 5.5 mm-40 -64.63 -58.69 5.64 Favored 'General case' 0 N--CA 1.469 0.504 0 C-N-CA 124.502 1.121 . . . . 10.0 110.425 173.984 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 71' ' ' PHE . . . . . . . . . . . . . 30.0 m-85 -61.31 -29.07 69.65 Favored 'General case' 0 N--CA 1.471 0.589 0 N-CA-C 114.718 1.377 . . . . 10.0 114.718 -177.54 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 66.3 m -63.93 -57.2 10.49 Favored 'General case' 0 N--CA 1.473 0.686 0 C-N-CA 123.94 0.896 . . . . 10.0 111.758 172.696 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 73' ' ' ARG . . . . . . . . . . . . . 13.2 mtp-105 -65.35 -53.26 46.18 Favored 'General case' 0 N--CA 1.475 0.814 0 C-N-CA 126.118 1.767 . . . . 10.0 112.712 -179.861 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 76.1 mm-40 -79.84 46.8 0.81 Allowed 'General case' 0 CA--C 1.546 0.805 0 C-N-CA 126.045 1.738 . . . . 10.0 112.766 -174.876 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 41.4 ttmt -155.31 -61.46 0.11 Allowed 'General case' 0 N--CA 1.471 0.61 0 C-N-CA 128.831 2.852 . . . . 10.0 110.526 -176.187 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 76' ' ' GLN . . . . . . . . . . . . . 81.8 mm-40 -56.37 -54.02 50.43 Favored 'General case' 0 CA--C 1.538 0.491 0 C-N-CA 125.574 1.55 . . . . 10.0 111.696 178.874 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 26.8 t70 -83.56 -57.55 3.19 Favored 'General case' 0 CA--C 1.543 0.688 0 C-N-CA 123.786 0.835 . . . . 10.0 111.4 171.373 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 16.3 m -80.82 86.22 6.03 Favored 'General case' 0 N--CA 1.472 0.634 0 C-N-CA 125.12 1.368 . . . . 10.0 112.998 -173.24 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 63.0 tttp -55.45 -63.64 1.1 Allowed 'General case' 0 N--CA 1.477 0.918 0 C-N-CA 126.049 1.74 . . . . 10.0 113.429 -178.194 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 48.0 tp -66.34 -31.01 71.54 Favored 'General case' 0 N--CA 1.474 0.73 0 C-N-CA 125.047 1.339 . . . . 10.0 113.611 -175.147 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 81' ' ' HIS . . . . . . . . . . . . . 7.4 t-160 -51.68 -45.07 63.31 Favored 'General case' 0 N--CA 1.472 0.645 0 C-N-CA 124.585 1.154 . . . . 10.0 112.886 -171.466 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 82' ' ' GLN . . . . . . . . . . . . . 75.9 mm-40 -45.73 -59.54 2.72 Favored 'General case' 0 N--CA 1.475 0.787 0 C-N-CA 125.414 1.486 . . . . 10.0 113.366 178.059 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 83' ' ' ARG . . . . . . . . . . . . . 11.0 tpt180 -46.0 -57.06 4.73 Favored 'General case' 0 N--CA 1.481 1.118 0 C-N-CA 125.886 1.674 . . . . 10.0 111.839 177.825 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 84' ' ' VAL . . . . . . . . . . . . . 5.7 t -61.96 -54.08 39.27 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.589 0 C-N-CA 125.559 1.544 . . . . 10.0 110.85 -178.22 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 85' ' ' LEU . . . . . . . . . . . . . 32.8 tp -56.46 -50.9 70.36 Favored 'General case' 0 CA--C 1.537 0.478 0 C-N-CA 126.202 1.801 . . . . 10.0 112.619 -179.354 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 86' ' ' TRP . . . . . . . . . . . . . 59.7 m95 -60.29 -43.37 96.34 Favored 'General case' 0 N--CA 1.468 0.472 0 N-CA-C 113.673 0.99 . . . . 10.0 113.673 176.329 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 87' ' ' ARG . . . . . . . . . . . . . 14.4 tpt180 -56.66 -49.95 73.53 Favored 'General case' 0 N--CA 1.471 0.624 0 CA-C-N 118.832 0.742 . . . . 10.0 111.072 172.425 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 88' ' ' LEU . . . . . . . . . . . . . 1.5 tt -54.65 -52.98 60.62 Favored 'General case' 0 CA--C 1.545 0.768 0 C-N-CA 124.515 1.126 . . . . 10.0 111.801 175.83 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 89' ' ' ILE . . . . . . . . . . . . . 74.4 mt -50.3 -52.06 16.19 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.73 0 C-N-CA 124.831 1.252 . . . . 10.0 111.062 174.065 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 96.9 mttt -59.47 -44.45 93.01 Favored 'General case' 0 N--CA 1.473 0.707 0 C-N-CA 124.401 1.081 . . . . 10.0 113.428 177.624 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 65.9 mm-40 -53.53 -51.57 62.44 Favored 'General case' 0 N--CA 1.474 0.746 0 CA-C-N 119.71 1.141 . . . . 10.0 111.765 170.887 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 92' ' ' ILE . . . . . . . . . . . . . 96.7 mt -57.65 -53.5 43.85 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.935 0 C-N-CA 124.269 1.028 . . . . 10.0 111.651 175.331 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 93' ' ' CYS . . . . . . . . . . . . . 62.8 m -56.37 -40.2 74.17 Favored 'General case' 0 CA--C 1.545 0.762 0 C-N-CA 124.707 1.203 . . . . 10.0 112.52 179.419 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 50.5 m -63.31 -45.63 90.43 Favored 'General case' 0 N--CA 1.476 0.842 0 C-N-CA 125.046 1.339 . . . . 10.0 112.7 171.477 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . -59.99 -39.58 86.23 Favored 'General case' 0 CA--C 1.545 0.759 0 C-N-CA 125.492 1.517 . . . . 10.0 114.225 -175.58 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 96' ' ' LYS . . . . . . . . . . . . . 1.1 ptpm? -72.99 49.8 0.25 Allowed 'General case' 0 N--CA 1.485 1.287 0 C-N-CA 125.739 1.615 . . . . 10.0 113.995 178.414 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 97' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -64.66 142.15 58.53 Favored 'General case' 0 N--CA 1.472 0.655 0 C-N-CA 127.127 2.171 . . . . 10.0 113.619 179.092 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 98' ' ' CYS . . . . . . . . . . . . . 33.1 m -79.48 137.82 37.35 Favored 'General case' 0 CA--C 1.539 0.539 0 C-N-CA 123.329 0.651 . . . . 10.0 112.29 177.816 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 99' ' ' ASP . . . . . . . . . . . . . 31.8 t70 -61.81 -39.48 91.91 Favored 'General case' 0 CA--C 1.544 0.712 0 C-N-CA 124.705 1.202 . . . . 10.0 112.877 176.645 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 100' ' ' PHE . . . . . . . . . . . . . 6.1 p90 -68.66 -13.67 62.52 Favored 'General case' 0 CA--C 1.544 0.714 0 N-CA-C 115.738 1.755 . . . . 10.0 115.738 -175.536 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 101' ' ' TRP . . . . . . . . . . . . . 42.7 m0 . . . . . 0 N--CA 1.474 0.764 0 CA-C-N 119.942 1.246 . . . . 10.0 112.692 -178.117 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' A' A ' 5' ' ' ASN . . . . . . . . . . . . . 14.8 t-20 . . . . . 0 CA--C 1.546 0.798 0 CA-C-O 122.05 0.929 . . . . 10.0 110.566 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 14.1 ptp180 -94.42 156.06 39.05 Favored Pre-proline 0 N--CA 1.476 0.836 0 C-N-CA 126.299 1.84 . . . . 10.0 111.577 173.258 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 7' ' ' PRO . . . . . . . . . . . . . 84.1 Cg_exo -48.18 118.72 3.38 Favored 'Trans proline' 0 CA--C 1.54 0.787 0 C-N-CA 123.603 2.868 . . . . 10.0 112.791 175.427 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . 116.78 -21.97 10.99 Favored Glycine 0 CA--C 1.536 1.395 0 C-N-CA 127.091 2.281 . . . . 10.0 114.247 -171.38 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -59.16 134.1 56.69 Favored 'General case' 0 CA--C 1.545 0.77 0 CA-C-N 119.698 1.749 . . . . 10.0 113.137 -170.786 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 10' ' ' PHE . . . . . . . . . . . . . 19.9 m-30 -60.17 149.09 33.93 Favored 'General case' 0 CA--C 1.541 0.607 0 O-C-N 121.409 -0.807 . . . . 10.0 112.89 174.835 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 66.5 mt -117.81 96.23 4.31 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.464 0 C-N-CA 125.973 1.709 . . . . 10.0 106.568 169.506 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 58.8 mtmt -94.58 79.86 3.82 Favored 'General case' 0 N--CA 1.474 0.744 0 C-N-CA 125.356 1.462 . . . . 10.0 110.896 -173.239 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 26.1 mt-30 -72.95 -29.92 63.46 Favored 'General case' 0 N--CA 1.472 0.653 0 C-N-CA 124.038 0.935 . . . . 10.0 111.247 169.861 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . 75.68 22.2 75.42 Favored Glycine 0 CA--C 1.535 1.301 0 C-N-CA 124.913 1.244 . . . . 10.0 113.694 -179.86 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 24.9 ttp180 -71.08 136.06 48.05 Favored 'General case' 0 N--CA 1.471 0.614 0 C-N-CA 126.571 1.949 . . . . 10.0 110.819 175.699 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 77.1 tttt -77.36 98.83 5.36 Favored 'General case' 0 N--CA 1.473 0.721 0 C-N-CA 124.896 1.279 . . . . 10.0 110.675 175.6 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 85.9 mt -74.24 176.91 6.21 Favored 'General case' 0 CA--C 1.546 0.8 0 C-N-CA 125.938 1.695 . . . . 10.0 112.529 179.047 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 18.9 t0 -127.17 95.01 4.16 Favored 'General case' 0 CA--C 1.541 0.63 0 C-N-CA 125.922 1.689 . . . . 10.0 110.507 175.729 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . 71.5 mt -135.13 130.2 51.3 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.742 0 C-N-CA 127.341 2.257 . . . . 10.0 108.061 -176.993 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 23.4 t0 -87.21 84.3 7.27 Favored 'General case' 0 CA--C 1.539 0.537 0 CA-C-O 121.962 0.887 . . . . 10.0 110.678 171.775 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 21' ' ' PHE . . . . . . . . . . . . . 87.1 m-85 -62.14 -42.45 99.26 Favored 'General case' 0 CA--C 1.54 0.596 0 C-N-CA 126.573 1.949 . . . . 10.0 111.74 171.696 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 127.87 163.2 11.31 Favored Glycine 0 CA--C 1.533 1.206 0 C-N-CA 127.635 2.54 . . . . 10.0 110.384 -169.604 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -43.29 -54.52 4.56 Favored 'General case' 0 CA--C 1.547 0.861 0 N-CA-C 115.434 1.642 . . . . 10.0 115.434 -169.853 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 52.1 mt-10 -61.16 -52.65 63.97 Favored 'General case' 0 N--CA 1.473 0.7 0 C-N-CA 124.786 1.234 . . . . 10.0 111.787 177.91 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -67.5 -37.69 90.1 Favored Glycine 0 CA--C 1.53 0.994 0 C-N-CA 124.836 1.207 . . . . 10.0 114.183 -175.984 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 88.0 m-20 -57.22 -52.74 64.1 Favored 'General case' 0 CA--C 1.535 0.372 0 C-N-CA 125.712 1.605 . . . . 10.0 110.072 173.844 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 94.9 mtt-85 -59.27 -46.79 87.57 Favored 'General case' 0 N--CA 1.474 0.76 0 C-N-CA 124.662 1.185 . . . . 10.0 111.888 176.423 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 28' ' ' TYR . . . . . . . . . . . . . 73.9 t80 -59.35 -55.62 32.44 Favored 'General case' 0 CA--C 1.535 0.391 0 C-N-CA 124.295 1.038 . . . . 10.0 112.182 177.985 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 29' ' ' TYR . . . . . . . . . . . . . 78.3 t80 -56.79 -50.85 71.09 Favored 'General case' 0 CA--C 1.535 0.394 0 C-N-CA 124.641 1.176 . . . . 10.0 112.285 178.198 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -50.51 -31.26 14.94 Favored 'General case' 0 CA--C 1.547 0.846 0 N-CA-C 114.072 1.138 . . . . 10.0 114.072 177.1 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -92.91 -23.55 18.73 Favored 'General case' 0 CA--C 1.553 1.059 0 C-N-CA 126.007 1.723 . . . . 10.0 115.04 176.815 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 32' ' ' ASN . . . . . . . . . . . . . 59.8 m-80 -126.65 7.89 6.91 Favored 'General case' 0 N--CA 1.477 0.909 0 N-CA-C 116.155 1.909 . . . . 10.0 116.155 -169.288 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 33' ' ' TYR . . . . . . . . . . . . . 55.2 p90 -46.18 -34.6 4.43 Favored 'General case' 0 N--CA 1.477 0.885 0 C-N-CA 127.236 2.214 . . . . 10.0 115.276 -177.32 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 34' ' ' TRP . . . . . . . . . . . . . 64.7 p-90 -50.65 -35.09 28.95 Favored 'General case' 0 CA--C 1.545 0.781 0 C-N-CA 126.349 1.86 . . . . 10.0 114.427 176.297 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 32.0 mt-30 -69.33 -40.13 77.77 Favored 'General case' 0 N--CA 1.474 0.76 0 C-N-CA 124.604 1.162 . . . . 10.0 113.665 178.222 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 36' ' ' PHE . . . . . . . . . . . . . 82.4 m-85 -69.21 155.4 93.62 Favored Pre-proline 0 CA--C 1.546 0.805 0 C-N-CA 126.592 1.957 . . . . 10.0 115.399 -169.053 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 70.8 Cg_endo -73.41 142.94 34.04 Favored 'Trans proline' 0 CA--C 1.539 0.772 0 C-N-CA 123.492 2.795 . . . . 10.0 110.855 169.574 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 6.3 t70 -94.6 -36.76 11.66 Favored 'General case' 0 CA--C 1.54 0.591 0 C-N-CA 125.394 1.478 . . . . 10.0 111.386 172.876 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . -134.8 176.76 19.76 Favored Glycine 0 CA--C 1.532 1.149 0 C-N-CA 125.78 1.657 . . . . 10.0 112.11 171.579 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 40' ' ' ILE . . . . . . . . . . . . . 97.1 mt -135.05 124.49 42.96 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.549 0 C-N-CA 125.248 1.419 . . . . 10.0 108.463 176.245 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 41' ' ' TYR . . . . . . . . . . . . . 64.9 t80 -72.25 88.41 1.15 Allowed 'General case' 0 CA--C 1.536 0.424 0 C-N-CA 125.079 1.352 . . . . 10.0 109.767 171.792 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 42' ' ' TYR . . . . . . . . . . . . . 88.5 t80 -149.12 131.04 15.21 Favored 'General case' 0 C--O 1.235 0.304 0 C-N-CA 125.017 1.327 . . . . 10.0 109.969 175.686 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 47.4 mt-10 -128.75 70.42 1.39 Allowed 'General case' 0 CA--C 1.539 0.533 0 C-N-CA 125.806 1.642 . . . . 10.0 109.776 -173.28 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . -63.16 -31.48 80.87 Favored Glycine 0 CA--C 1.536 1.378 0 C-N-CA 125.089 1.328 . . . . 10.0 114.499 -177.673 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 45' ' ' CYS . . . . . . . . . . . . . 83.1 m -55.54 109.23 0.52 Allowed 'General case' 0 CA--C 1.543 0.703 0 C-N-CA 126.133 1.773 . . . . 10.0 112.491 -178.967 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 51.0 m -125.81 -56.25 1.48 Allowed 'General case' 0 N--CA 1.474 0.747 0 C-N-CA 125.708 1.603 . . . . 10.0 111.96 -176.456 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 12.2 pt-20 -149.38 158.14 43.91 Favored 'General case' 0 N--CA 1.471 0.602 0 C-N-CA 125.923 1.689 . . . . 10.0 111.593 179.694 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -52.81 -27.87 20.05 Favored 'General case' 0 CA--C 1.545 0.785 0 N-CA-C 115.28 1.585 . . . . 10.0 115.28 -176.376 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 82.6 m-20 -65.15 -27.55 68.8 Favored 'General case' 0 CA--C 1.546 0.824 0 C-N-CA 124.761 1.225 . . . . 10.0 113.889 175.421 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . 60.7 t -65.82 115.48 3.98 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.913 0 C-N-CA 124.674 1.19 . . . . 10.0 109.262 172.168 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 53.8 p -88.12 173.05 9.06 Favored 'General case' 0 N--CA 1.477 0.886 0 C-N-CA 123.718 0.807 . . . . 10.0 112.02 178.929 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 82.2 tttt -62.41 -52.1 64.9 Favored 'General case' 0 N--CA 1.471 0.616 0 O-C-N 121.322 -0.861 . . . . 10.0 111.931 171.05 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 12.5 pt-20 -54.32 -40.01 67.56 Favored 'General case' 0 N--CA 1.473 0.701 0 N-CA-C 112.846 0.684 . . . . 10.0 112.846 176.178 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 54' ' ' MET . . . . . . . . . . . . . 92.8 mtp -58.19 -58.42 8.55 Favored 'General case' 0 N--CA 1.47 0.564 0 C-N-CA 123.575 0.75 . . . . 10.0 111.472 169.529 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 8.9 tt -59.39 -53.03 62.84 Favored 'General case' 0 CA--C 1.536 0.408 0 C-N-CA 124.461 1.105 . . . . 10.0 113.035 -174.382 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 88.0 t -57.0 -47.09 84.07 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.868 0 C-N-CA 125.375 1.47 . . . . 10.0 111.106 -178.58 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 57' ' ' THR . . . . . . . . . . . . . 45.0 m -62.81 -47.45 83.41 Favored 'General case' 0 N--CA 1.477 0.92 0 C-N-CA 124.287 1.035 . . . . 10.0 111.683 174.9 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 48.9 m -59.39 -37.55 78.26 Favored 'General case' 0 N--CA 1.471 0.611 0 C-N-CA 124.228 1.011 . . . . 10.0 112.578 176.784 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 59' ' ' CYS . . . . . . . . . . . . . 36.2 t -57.71 -50.2 74.0 Favored 'General case' 0 CA--C 1.536 0.407 0 C-N-CA 125.494 1.518 . . . . 10.0 112.663 172.689 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 60' ' ' VAL . . . . . . . . . . . . . 54.6 t -54.94 -49.82 67.56 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.071 0 CA-C-N 119.444 1.02 . . . . 10.0 111.355 172.663 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 61' ' ' ASN . . . . . . . . . . . . . 21.1 m-80 -58.1 -45.54 87.07 Favored 'General case' 0 CA--C 1.546 0.796 0 C-N-CA 124.514 1.126 . . . . 10.0 112.995 176.616 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -61.1 -48.43 81.71 Favored 'General case' 0 CA--C 1.538 0.502 0 C-N-CA 124.442 1.097 . . . . 10.0 111.241 174.881 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 63' ' ' THR . . . . . . . . . . . . . 29.7 m -54.23 -49.46 69.41 Favored 'General case' 0 N--CA 1.471 0.621 0 C-N-CA 125.416 1.486 . . . . 10.0 111.634 177.37 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 64' ' ' GLN . . . . . . . . . . . . . 81.2 mt-30 -50.69 -58.38 6.01 Favored 'General case' 0 CA--C 1.539 0.545 0 C-N-CA 125.056 1.342 . . . . 10.0 111.946 172.154 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -57.47 -39.76 77.07 Favored 'General case' 0 CA--C 1.546 0.805 0 C-N-CA 125.635 1.574 . . . . 10.0 114.126 179.973 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -74.28 -41.6 60.96 Favored 'General case' 0 CA--C 1.543 0.684 0 C-N-CA 125.039 1.336 . . . . 10.0 114.169 -179.333 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 67' ' ' ASN . . . . . . . . . . . . . 11.2 m-80 -114.19 38.31 3.07 Favored 'General case' 0 N--CA 1.474 0.765 0 C-N-CA 124.4 1.08 . . . . 10.0 112.272 -169.817 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 68' ' ' GLN . . . . . . . . . . . . . 91.2 mt-30 -50.99 -52.39 43.16 Favored 'General case' 0 N--CA 1.472 0.656 0 C-N-CA 125.561 1.544 . . . . 10.0 112.521 -177.747 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -54.65 -46.32 73.97 Favored 'General case' 0 CA--C 1.543 0.697 0 C-N-CA 124.964 1.306 . . . . 10.0 113.271 179.417 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 6.0 mm-40 -55.53 -52.56 63.28 Favored 'General case' 0 N--CA 1.473 0.693 0 C-N-CA 124.825 1.25 . . . . 10.0 111.3 177.41 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 71' ' ' PHE . . . . . . . . . . . . . 33.7 m-85 -61.05 -55.79 28.59 Favored 'General case' 0 CA--C 1.535 0.368 0 C-N-CA 123.924 0.89 . . . . 10.0 112.287 176.079 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 60.7 m -53.72 -49.04 68.97 Favored 'General case' 0 N--CA 1.473 0.707 0 C-N-CA 125.038 1.335 . . . . 10.0 113.599 -178.168 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 73' ' ' ARG . . . . . . . . . . . . . 22.9 mtm105 -55.77 -51.66 66.63 Favored 'General case' 0 N--CA 1.476 0.873 0 C-N-CA 124.197 0.999 . . . . 10.0 112.546 176.787 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 43.9 mm-40 -67.62 -63.64 1.02 Allowed 'General case' 0 CA--C 1.541 0.602 0 C-N-CA 124.287 1.035 . . . . 10.0 113.177 179.161 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 64.8 tttm -44.69 -37.28 3.6 Favored 'General case' 0 N--CA 1.48 1.038 0 C-N-CA 128.384 2.674 . . . . 10.0 115.76 -169.819 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 76' ' ' GLN . . . . . . . . . . . . . 18.8 mm100 -54.57 -27.55 39.69 Favored 'General case' 0 CA--C 1.547 0.845 0 C-N-CA 125.135 1.374 . . . . 10.0 114.395 176.608 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 31.4 t70 -136.72 -39.91 0.63 Allowed 'General case' 0 CA--C 1.547 0.849 0 C-N-CA 125.43 1.492 . . . . 10.0 113.849 -177.445 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 1.6 t -76.37 75.48 3.14 Favored 'General case' 0 CA--C 1.544 0.718 0 C-N-CA 127.732 2.413 . . . . 10.0 113.057 -170.994 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 41.1 ttmt -56.59 -65.79 0.55 Allowed 'General case' 0 N--CA 1.477 0.908 0 C-N-CA 126.41 1.884 . . . . 10.0 113.457 -173.053 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 43.5 tp -62.37 -40.41 96.36 Favored 'General case' 0 N--CA 1.47 0.554 0 C-N-CA 123.989 0.916 . . . . 10.0 112.493 -176.823 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 81' ' ' HIS . . . . . . . . . . . . . 14.2 t-160 -51.0 -49.28 60.74 Favored 'General case' 0 N--CA 1.471 0.6 0 C-N-CA 123.558 0.743 . . . . 10.0 112.395 -177.947 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 82' ' ' GLN . . . . . . . . . . . . . 92.8 mm-40 -50.43 -53.92 25.86 Favored 'General case' 0 N--CA 1.472 0.646 0 C-N-CA 124.169 0.988 . . . . 10.0 112.713 177.597 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 83' ' ' ARG . . . . . . . . . . . . . 74.7 mtp180 -49.48 -55.3 13.74 Favored 'General case' 0 N--CA 1.482 1.127 0 C-N-CA 125.021 1.329 . . . . 10.0 111.947 178.395 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 84' ' ' VAL . . . . . . . . . . . . . 17.0 t -62.04 -51.77 68.49 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.8 0 C-N-CA 126.022 1.729 . . . . 10.0 111.167 179.381 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 85' ' ' LEU . . . . . . . . . . . . . 49.0 tp -56.27 -50.56 71.02 Favored 'General case' 0 N--CA 1.467 0.423 0 C-N-CA 126.079 1.752 . . . . 10.0 112.649 179.86 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 86' ' ' TRP . . . . . . . . . . . . . 72.5 m95 -60.82 -42.2 97.2 Favored 'General case' 0 N--CA 1.469 0.487 0 N-CA-C 113.489 0.922 . . . . 10.0 113.489 176.078 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 87' ' ' ARG . . . . . . . . . . . . . 14.2 tpt180 -56.42 -49.15 75.37 Favored 'General case' 0 N--CA 1.473 0.723 0 CA-C-N 118.712 0.687 . . . . 10.0 111.569 169.953 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 88' ' ' LEU . . . . . . . . . . . . . 1.4 tt -57.45 -50.93 71.43 Favored 'General case' 0 CA--C 1.546 0.801 0 C-N-CA 124.165 0.986 . . . . 10.0 111.99 176.405 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 89' ' ' ILE . . . . . . . . . . . . . 83.6 mt -50.4 -49.05 24.95 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.796 0 C-N-CA 124.539 1.136 . . . . 10.0 110.843 172.45 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 56.2 tttp -59.21 -46.96 87.05 Favored 'General case' 0 N--CA 1.472 0.642 0 C-N-CA 124.332 1.053 . . . . 10.0 113.118 175.345 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 79.7 mm-40 -53.47 -45.95 69.75 Favored 'General case' 0 N--CA 1.476 0.868 0 CA-C-N 119.865 1.211 . . . . 10.0 112.278 172.313 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 92' ' ' ILE . . . . . . . . . . . . . 96.3 mt -61.29 -57.3 12.75 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.838 0 C-N-CA 123.954 0.901 . . . . 10.0 111.137 173.375 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 93' ' ' CYS . . . . . . . . . . . . . 75.7 m -57.25 -48.92 77.63 Favored 'General case' 0 CA--C 1.542 0.651 0 C-N-CA 124.127 0.971 . . . . 10.0 112.647 -177.257 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 80.4 p -60.53 -26.69 67.07 Favored 'General case' 0 N--CA 1.477 0.914 0 N-CA-C 114.719 1.377 . . . . 10.0 114.719 178.175 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . -69.46 -28.34 66.01 Favored 'General case' 0 CA--C 1.548 0.874 0 N-CA-C 113.776 1.028 . . . . 10.0 113.776 172.918 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 96' ' ' LYS . . . . . . . . . . . . . 36.7 mttm -62.84 119.06 8.64 Favored 'General case' 0 N--CA 1.477 0.88 0 C-N-CA 124.964 1.306 . . . . 10.0 112.245 -175.509 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 97' ' ' HIS . . . . . 0.412 ' HA ' ' CZ3' ' A' ' 101' ' ' TRP . 0.2 OUTLIER -130.73 140.74 50.35 Favored 'General case' 0 CA--C 1.537 0.452 0 C-N-CA 126.128 1.771 . . . . 10.0 114.032 -176.718 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 98' ' ' CYS . . . . . . . . . . . . . 40.8 m -97.5 134.66 40.43 Favored 'General case' 0 CA--C 1.537 0.455 0 C-N-CA 123.974 0.909 . . . . 10.0 112.115 179.559 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 99' ' ' ASP . . . . . . . . . . . . . 32.1 t70 -58.2 -38.87 77.58 Favored 'General case' 0 CA--C 1.543 0.679 0 C-N-CA 124.821 1.248 . . . . 10.0 112.946 177.209 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 100' ' ' PHE . . . . . . . . . . . . . 4.2 p90 -69.11 -14.22 62.88 Favored 'General case' 0 CA--C 1.545 0.767 0 N-CA-C 115.562 1.689 . . . . 10.0 115.562 -178.102 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 101' ' ' TRP . . . . . 0.412 ' CZ3' ' HA ' ' A' ' 97' ' ' HIS . 29.1 m0 . . . . . 0 N--CA 1.473 0.717 0 CA-C-N 120.007 1.276 . . . . 10.0 113.834 -175.23 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 5' ' ' ASN . . . . . . . . . . . . . 12.5 t-20 . . . . . 0 CA--C 1.546 0.799 0 CA-C-O 122.418 1.104 . . . . 10.0 109.905 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 28.9 ptt-85 -72.58 148.26 90.14 Favored Pre-proline 0 N--CA 1.473 0.699 0 C-N-CA 126.559 1.944 . . . . 10.0 112.52 179.143 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 7' ' ' PRO . . . . . . . . . . . . . 50.2 Cg_exo -51.44 117.52 3.54 Favored 'Trans proline' 0 CA--C 1.54 0.819 0 C-N-CA 123.551 2.834 . . . . 10.0 112.285 173.885 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . 109.8 -13.83 32.11 Favored Glycine 0 CA--C 1.537 1.427 0 C-N-CA 126.305 1.907 . . . . 10.0 114.357 -172.659 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -60.13 132.04 52.71 Favored 'General case' 0 CA--C 1.546 0.796 0 CA-C-N 119.681 1.741 . . . . 10.0 112.899 -174.428 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 10' ' ' PHE . . . . . . . . . . . . . 21.6 m-85 -61.31 148.77 40.15 Favored 'General case' 0 CA--C 1.54 0.581 0 C-N-CA 123.441 0.696 . . . . 10.0 112.308 172.052 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 66.6 mt -119.78 96.52 4.38 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.421 0 C-N-CA 125.876 1.671 . . . . 10.0 106.537 169.636 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 84.3 mttt -91.28 90.34 7.7 Favored 'General case' 0 N--CA 1.474 0.766 0 C-N-CA 125.244 1.418 . . . . 10.0 110.34 -176.881 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 26.4 mt-30 -80.33 -23.26 40.72 Favored 'General case' 0 CA--C 1.542 0.635 0 C-N-CA 123.953 0.901 . . . . 10.0 112.139 173.989 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . 75.5 58.49 3.85 Favored Glycine 0 CA--C 1.531 1.087 0 C-N-CA 124.826 1.203 . . . . 10.0 112.133 178.147 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 32.6 ttp180 -132.42 131.7 42.04 Favored 'General case' 0 N--CA 1.47 0.555 0 C-N-CA 126.735 2.014 . . . . 10.0 110.797 -171.184 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 34.6 ttmt -77.48 101.59 6.51 Favored 'General case' 0 N--CA 1.473 0.721 0 C-N-CA 124.478 1.111 . . . . 10.0 110.542 177.732 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 73.5 mt -72.29 177.45 4.51 Favored 'General case' 0 CA--C 1.547 0.831 0 C-N-CA 126.006 1.722 . . . . 10.0 112.44 175.242 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 19.7 t0 -123.7 93.72 4.02 Favored 'General case' 0 CA--C 1.543 0.682 0 C-N-CA 125.686 1.594 . . . . 10.0 110.773 176.483 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . 67.4 mt -136.14 135.39 50.08 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.737 0 C-N-CA 127.623 2.369 . . . . 10.0 108.608 -178.678 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 26.1 t70 -87.16 103.89 15.84 Favored 'General case' 0 CA--C 1.538 0.49 0 CA-C-O 121.867 0.841 . . . . 10.0 109.739 169.548 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 21' ' ' PHE . . . . . . . . . . . . . 71.8 m-85 -83.79 -37.11 23.0 Favored 'General case' 0 CA--C 1.54 0.595 0 C-N-CA 127.243 2.217 . . . . 10.0 111.495 171.137 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 127.54 158.02 9.62 Favored Glycine 0 CA--C 1.534 1.237 0 C-N-CA 127.777 2.608 . . . . 10.0 110.209 -169.645 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -42.24 -56.69 2.82 Favored 'General case' 0 CA--C 1.548 0.877 0 N-CA-C 115.49 1.663 . . . . 10.0 115.49 -169.713 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 31.2 mm-40 -63.22 -48.25 79.09 Favored 'General case' 0 N--CA 1.474 0.725 0 C-N-CA 124.208 1.003 . . . . 10.0 112.038 178.466 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -63.51 -39.41 97.63 Favored Glycine 0 CA--C 1.533 1.182 0 C-N-CA 124.972 1.272 . . . . 10.0 114.161 179.772 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 89.9 m-20 -57.68 -51.99 67.28 Favored 'General case' 0 CA--C 1.536 0.408 0 C-N-CA 126.161 1.784 . . . . 10.0 110.145 174.702 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 97.5 mtt180 -59.13 -46.28 88.75 Favored 'General case' 0 N--CA 1.474 0.772 0 C-N-CA 124.588 1.155 . . . . 10.0 111.913 174.896 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 28' ' ' TYR . . . . . . . . . . . . . 83.5 t80 -59.54 -53.4 58.48 Favored 'General case' 0 CA--C 1.536 0.406 0 C-N-CA 124.269 1.027 . . . . 10.0 111.949 179.232 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 29' ' ' TYR . . . . . . . . . . . . . 83.5 t80 -56.65 -52.39 65.06 Favored 'General case' 0 CA--C 1.536 0.416 0 C-N-CA 124.6 1.16 . . . . 10.0 112.404 175.645 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -51.06 -35.87 36.92 Favored 'General case' 0 CA--C 1.546 0.796 0 N-CA-C 113.603 0.964 . . . . 10.0 113.603 178.751 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -85.73 -28.42 24.63 Favored 'General case' 0 CA--C 1.55 0.981 0 N-CA-C 115.099 1.518 . . . . 10.0 115.099 176.098 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 32' ' ' ASN . . . . . . . . . . . . . 55.3 m-80 -124.25 11.76 8.79 Favored 'General case' 0 CA--C 1.548 0.881 0 N-CA-C 116.654 2.094 . . . . 10.0 116.654 -169.091 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 33' ' ' TYR . . . . . . . . . . . . . 52.1 p90 -50.15 -28.02 6.72 Favored 'General case' 0 N--CA 1.478 0.971 0 C-N-CA 126.007 1.723 . . . . 10.0 115.207 -177.751 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 34' ' ' TRP . . . . . . . . . . . . . 65.6 p-90 -51.32 -34.67 34.55 Favored 'General case' 0 CA--C 1.546 0.805 0 C-N-CA 125.83 1.652 . . . . 10.0 114.187 173.634 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 32.1 mt-30 -67.4 -41.71 84.48 Favored 'General case' 0 N--CA 1.474 0.734 0 C-N-CA 124.716 1.206 . . . . 10.0 113.197 176.45 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 36' ' ' PHE . . . . . . . . . . . . . 68.6 m-85 -74.24 159.06 84.66 Favored Pre-proline 0 CA--C 1.546 0.799 0 C-N-CA 127.542 2.337 . . . . 10.0 113.629 -169.69 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 62.2 Cg_endo -71.89 163.89 37.41 Favored 'Trans proline' 0 CA--C 1.541 0.859 0 C-N-CA 123.062 2.508 . . . . 10.0 110.841 169.246 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 7.3 t70 -113.47 -37.69 4.57 Favored 'General case' 0 N--CA 1.473 0.698 0 C-N-CA 125.094 1.358 . . . . 10.0 110.396 169.911 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . -129.14 173.11 19.56 Favored Glycine 0 CA--C 1.535 1.286 0 C-N-CA 126.228 1.871 . . . . 10.0 111.384 169.445 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 40' ' ' ILE . . . . . . . . . . . . . 97.0 mt -136.56 125.63 37.24 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.692 0 C-N-CA 125.193 1.397 . . . . 10.0 108.463 175.382 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 41' ' ' TYR . . . . . . . . . . . . . 90.3 t80 -73.51 116.91 14.63 Favored 'General case' 0 CA--C 1.536 0.41 0 C-N-CA 123.388 0.675 . . . . 10.0 109.486 169.782 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 42' ' ' TYR . . . . . . . . . . . . . 48.8 t80 -154.54 109.21 3.03 Favored 'General case' 0 CA--C 1.533 0.305 0 CA-C-O 122.169 0.985 . . . . 10.0 110.732 173.27 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 4.8 pt-20 -81.12 59.98 4.09 Favored 'General case' 0 CA--C 1.548 0.884 0 C-N-CA 126.981 2.112 . . . . 10.0 111.874 178.271 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . -71.35 -42.98 55.71 Favored Glycine 0 CA--C 1.534 1.269 0 C-N-CA 125.298 1.428 . . . . 10.0 113.931 -179.787 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 45' ' ' CYS . . . . . . . . . . . . . 78.0 m -62.47 128.21 34.94 Favored 'General case' 0 CA--C 1.544 0.728 0 C-N-CA 125.442 1.497 . . . . 10.0 112.94 -179.287 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 63.9 p -139.31 -58.4 0.59 Allowed 'General case' 0 N--CA 1.473 0.695 0 C-N-CA 125.88 1.672 . . . . 10.0 112.01 173.689 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 12.0 pt-20 -146.56 160.72 41.78 Favored 'General case' 0 CA--C 1.542 0.666 0 C-N-CA 126.33 1.852 . . . . 10.0 112.604 178.976 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -54.58 -23.5 17.13 Favored 'General case' 0 CA--C 1.545 0.786 0 N-CA-C 115.932 1.827 . . . . 10.0 115.932 -174.694 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 72.5 m-20 -61.42 -29.04 69.69 Favored 'General case' 0 CA--C 1.548 0.869 0 C-N-CA 124.164 0.985 . . . . 10.0 113.42 172.204 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . 94.3 t -67.03 113.1 2.77 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.911 0 C-N-CA 124.667 1.187 . . . . 10.0 109.61 169.976 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 41.4 p -84.92 169.66 13.85 Favored 'General case' 0 N--CA 1.475 0.793 0 C-N-CA 123.504 0.721 . . . . 10.0 111.618 176.801 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 78.1 tttt -62.04 -43.52 98.66 Favored 'General case' 0 N--CA 1.472 0.642 0 O-C-N 121.221 -0.924 . . . . 10.0 111.981 170.046 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 27.6 mm-40 -54.25 -48.43 71.16 Favored 'General case' 0 N--CA 1.472 0.669 0 C-N-CA 123.903 0.881 . . . . 10.0 111.838 174.426 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 54' ' ' MET . . . . . . . . . . . . . 93.4 mtp -54.69 -57.14 12.65 Favored 'General case' 0 N--CA 1.47 0.534 0 C-N-CA 124.361 1.065 . . . . 10.0 111.799 171.251 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 3.4 tt -55.73 -59.82 4.32 Favored 'General case' 0 CA--C 1.54 0.56 0 C-N-CA 124.995 1.318 . . . . 10.0 112.129 -177.549 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 60.2 t -57.43 -46.5 85.69 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.811 0 C-N-CA 124.69 1.196 . . . . 10.0 111.666 -176.263 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 57' ' ' THR . . . . . . . . . . . . . 37.1 m -63.5 -51.57 64.96 Favored 'General case' 0 N--CA 1.477 0.881 0 C-N-CA 123.816 0.847 . . . . 10.0 111.901 177.109 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 93.2 p -62.01 -33.25 74.0 Favored 'General case' 0 N--CA 1.471 0.615 0 O-C-N 121.388 -0.82 . . . . 10.0 113.028 177.659 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 59' ' ' CYS . . . . . . . . . . . . . 44.4 t -58.22 -51.05 71.37 Favored 'General case' 0 CA--C 1.539 0.522 0 C-N-CA 125.982 1.713 . . . . 10.0 112.557 169.971 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 60' ' ' VAL . . . . . . . . . . . . . 48.2 t -56.3 -43.69 77.61 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.055 0 C-N-CA 124.086 0.954 . . . . 10.0 111.893 173.446 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 61' ' ' ASN . . . . . . . . . . . . . 21.8 m-80 -64.24 -45.26 88.93 Favored 'General case' 0 CA--C 1.544 0.728 0 C-N-CA 124.245 1.018 . . . . 10.0 113.046 174.827 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -60.58 -45.99 91.91 Favored 'General case' 0 CA--C 1.536 0.408 0 C-N-CA 124.53 1.132 . . . . 10.0 111.267 175.8 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 63' ' ' THR . . . . . . . . . . . . . 30.1 m -55.29 -48.74 73.64 Favored 'General case' 0 N--CA 1.471 0.59 0 C-N-CA 124.909 1.283 . . . . 10.0 111.469 177.334 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 64' ' ' GLN . . . . . . . . . . . . . 45.6 mt-30 -50.65 -61.7 2.04 Favored 'General case' 0 N--CA 1.47 0.559 0 C-N-CA 124.283 1.033 . . . . 10.0 111.7 171.453 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -53.87 -44.65 70.6 Favored 'General case' 0 CA--C 1.545 0.781 0 C-N-CA 125.704 1.602 . . . . 10.0 113.741 -178.667 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -67.63 -34.5 77.08 Favored 'General case' 0 CA--C 1.541 0.608 0 C-N-CA 125.082 1.353 . . . . 10.0 114.383 179.615 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 67' ' ' ASN . . . . . . . . . . . . . 10.5 m-80 -124.91 39.61 3.94 Favored 'General case' 0 CA--C 1.545 0.784 0 C-N-CA 124.026 0.93 . . . . 10.0 112.562 -170.042 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 68' ' ' GLN . . . . . . . . . . . . . 22.0 mm-40 -54.66 -47.46 73.55 Favored 'General case' 0 N--CA 1.475 0.791 0 C-N-CA 124.627 1.171 . . . . 10.0 112.972 -176.416 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -53.83 -48.71 69.66 Favored 'General case' 0 CA--C 1.544 0.732 0 C-N-CA 125.025 1.33 . . . . 10.0 113.015 179.104 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 7.9 mm-40 -54.01 -56.14 20.7 Favored 'General case' 0 N--CA 1.473 0.706 0 C-N-CA 125.215 1.406 . . . . 10.0 111.408 177.766 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 71' ' ' PHE . . . . . . . . . . . . . 37.4 m-85 -59.91 -53.31 59.43 Favored 'General case' 0 CA--C 1.536 0.405 0 C-N-CA 124.019 0.928 . . . . 10.0 112.19 176.954 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 46.5 t -50.05 -56.74 9.6 Favored 'General case' 0 N--CA 1.47 0.551 0 C-N-CA 126.366 1.866 . . . . 10.0 112.837 -178.415 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 73' ' ' ARG . . . . . . . . . . . . . 90.2 mmt-85 -60.3 -50.01 75.32 Favored 'General case' 0 N--CA 1.475 0.801 0 C-N-CA 124.905 1.282 . . . . 10.0 112.621 -179.767 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 44.1 mm-40 -62.61 -58.57 7.06 Favored 'General case' 0 CA--C 1.539 0.549 0 C-N-CA 124.269 1.028 . . . . 10.0 112.856 -179.491 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 87.4 tttt -44.78 -34.18 2.19 Favored 'General case' 0 N--CA 1.481 1.116 0 C-N-CA 127.896 2.478 . . . . 10.0 115.674 -171.387 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 76' ' ' GLN . . . . . . . . . . . . . 66.6 mm-40 -52.87 -43.4 66.07 Favored 'General case' 0 N--CA 1.472 0.66 0 C-N-CA 124.751 1.22 . . . . 10.0 112.967 178.043 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 32.5 t70 -127.6 -38.37 1.91 Allowed 'General case' 0 N--CA 1.473 0.722 0 C-N-CA 125.902 1.681 . . . . 10.0 113.168 -172.164 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -75.73 61.09 1.35 Allowed 'General case' 0 CA--C 1.543 0.676 0 C-N-CA 127.929 2.492 . . . . 10.0 111.809 -178.314 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 2.1 tppt? -60.42 -52.56 64.69 Favored 'General case' 0 N--CA 1.472 0.674 0 C-N-CA 126.259 1.824 . . . . 10.0 113.384 -169.682 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 56.0 tp -60.51 -44.96 95.45 Favored 'General case' 0 N--CA 1.47 0.537 0 C-N-CA 124.866 1.266 . . . . 10.0 111.941 175.082 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 81' ' ' HIS . . . . . . . . . . . . . 16.6 t-160 -48.52 -49.22 36.99 Favored 'General case' 0 N--CA 1.472 0.637 0 C-N-CA 124.409 1.083 . . . . 10.0 111.993 -177.235 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 82' ' ' GLN . . . . . . . . . . . . . 98.3 mm-40 -50.62 -52.71 36.96 Favored 'General case' 0 N--CA 1.471 0.599 0 C-N-CA 123.856 0.862 . . . . 10.0 112.852 177.106 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 83' ' ' ARG . . . . . . . . . . . . . 9.2 mpt_? -55.48 -52.76 62.56 Favored 'General case' 0 N--CA 1.48 1.043 0 C-N-CA 124.383 1.073 . . . . 10.0 111.314 -178.96 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 84' ' ' VAL . . . . . . . . . . . . . 21.8 t -57.94 -54.28 34.11 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.729 0 C-N-CA 125.828 1.651 . . . . 10.0 110.94 176.99 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 85' ' ' LEU . . . . . . . . . . . . . 45.0 tp -56.68 -47.82 78.98 Favored 'General case' 0 CA--C 1.538 0.491 0 C-N-CA 126.254 1.822 . . . . 10.0 112.664 -179.736 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 86' ' ' TRP . . . . . . . . . . . . . 70.4 m95 -64.05 -42.48 97.02 Favored 'General case' 0 N--CA 1.469 0.475 0 N-CA-C 113.989 1.107 . . . . 10.0 113.989 176.316 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 87' ' ' ARG . . . . . . . . . . . . . 24.0 tpt180 -54.9 -50.37 68.93 Favored 'General case' 0 N--CA 1.477 0.921 0 C-N-CA 123.666 0.786 . . . . 10.0 111.144 170.705 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 88' ' ' LEU . . . . . . . . . . . . . 54.9 tp -56.23 -55.26 35.44 Favored 'General case' 0 CA--C 1.54 0.59 0 C-N-CA 124.318 1.047 . . . . 10.0 112.761 173.172 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 89' ' ' ILE . . . . . . . . . . . . . 68.9 mt -50.98 -48.91 28.82 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.808 0 C-N-CA 124.518 1.127 . . . . 10.0 111.015 177.422 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 58.3 tttp -60.2 -46.87 88.24 Favored 'General case' 0 N--CA 1.469 0.51 0 CA-C-O 118.191 -0.909 . . . . 10.0 112.782 176.295 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 31.6 mm-40 -56.59 -45.08 81.6 Favored 'General case' 0 CA--C 1.544 0.716 0 CA-C-N 119.795 1.179 . . . . 10.0 112.635 172.773 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 92' ' ' ILE . . . . . . . . . . . . . 96.1 mt -58.01 -55.56 21.17 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.776 0 C-N-CA 124.209 1.003 . . . . 10.0 110.93 172.736 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 93' ' ' CYS . . . . . . . . . . . . . 66.2 m -55.21 -44.78 75.7 Favored 'General case' 0 CA--C 1.544 0.712 0 C-N-CA 123.793 0.837 . . . . 10.0 111.957 177.914 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 49.7 m -58.73 -24.99 62.5 Favored 'General case' 0 N--CA 1.476 0.874 0 C-N-CA 125.541 1.536 . . . . 10.0 114.7 175.391 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . -73.06 -21.79 60.72 Favored 'General case' 0 CA--C 1.548 0.873 0 N-CA-C 114.206 1.187 . . . . 10.0 114.206 178.083 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 96' ' ' LYS . . . . . . . . . . . . . 3.6 mptp? -60.24 131.89 52.22 Favored 'General case' 0 N--CA 1.479 0.99 0 C-N-CA 125.087 1.355 . . . . 10.0 111.377 -179.198 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 97' ' ' HIS . . . . . 0.438 ' HA ' ' CZ3' ' A' ' 101' ' ' TRP . 13.2 t-80 -141.7 116.35 9.7 Favored 'General case' 0 N--CA 1.471 0.62 0 C-N-CA 125.67 1.588 . . . . 10.0 110.773 176.019 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 98' ' ' CYS . . . . . . . . . . . . . 57.4 m -70.16 149.69 47.29 Favored 'General case' 0 CA--C 1.538 0.498 0 C-N-CA 123.283 0.633 . . . . 10.0 111.86 176.761 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 99' ' ' ASP . . . . . . . . . . . . . 32.7 t70 -64.8 -42.8 94.73 Favored 'General case' 0 CA--C 1.542 0.656 0 C-N-CA 124.349 1.059 . . . . 10.0 112.427 176.988 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 100' ' ' PHE . . . . . . . . . . . . . 9.0 p90 -70.81 -16.83 62.76 Favored 'General case' 0 CA--C 1.544 0.712 0 N-CA-C 115.402 1.631 . . . . 10.0 115.402 -176.349 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 101' ' ' TRP . . . . . 0.438 ' CZ3' ' HA ' ' A' ' 97' ' ' HIS . 36.7 m0 . . . . . 0 N--CA 1.474 0.741 0 CA-C-N 119.918 1.235 . . . . 10.0 112.554 179.301 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 5' ' ' ASN . . . . . . . . . . . . . 32.3 m120 . . . . . 0 CA--C 1.546 0.823 0 CA-C-O 121.545 0.688 . . . . 10.0 111.523 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 7.9 ptm180 -83.17 156.82 66.42 Favored Pre-proline 0 N--CA 1.475 0.804 0 C-N-CA 125.122 1.369 . . . . 10.0 111.928 170.824 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 7' ' ' PRO . . . . . . . . . . . . . 71.2 Cg_exo -48.58 120.88 5.66 Favored 'Trans proline' 0 CA--C 1.54 0.816 0 C-N-CA 123.548 2.832 . . . . 10.0 112.406 171.32 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . 110.74 -15.08 29.29 Favored Glycine 0 CA--C 1.538 1.486 0 C-N-CA 126.579 2.038 . . . . 10.0 114.335 -172.798 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -61.86 131.89 51.27 Favored 'General case' 0 CA--C 1.545 0.751 0 CA-C-N 119.565 1.683 . . . . 10.0 112.38 -175.482 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 10' ' ' PHE . . . . . . . . . . . . . 23.7 m-85 -62.45 149.99 41.17 Favored 'General case' 0 CA--C 1.54 0.582 0 O-C-N 121.636 -0.665 . . . . 10.0 112.597 174.28 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 75.7 mt -118.75 96.86 4.71 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.465 0 N-CA-C 106.28 -1.748 . . . . 10.0 106.28 169.423 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 85.4 mttt -93.39 91.69 7.29 Favored 'General case' 0 N--CA 1.472 0.635 0 C-N-CA 125.024 1.329 . . . . 10.0 110.208 -176.357 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 22.0 mt-30 -77.4 -21.22 53.48 Favored 'General case' 0 CA--C 1.54 0.572 0 C-N-CA 124.253 1.021 . . . . 10.0 111.883 172.099 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . 65.4 54.55 25.9 Favored Glycine 0 CA--C 1.531 1.058 0 C-N-CA 124.719 1.152 . . . . 10.0 111.083 -176.595 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 4.7 tmm_? -133.01 129.73 38.51 Favored 'General case' 0 N--CA 1.47 0.539 0 C-N-CA 126.86 2.064 . . . . 10.0 110.18 -169.525 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 46.2 tttm -74.76 111.17 9.69 Favored 'General case' 0 N--CA 1.472 0.661 0 C-N-CA 124.081 0.953 . . . . 10.0 111.486 -178.461 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 85.4 mt -74.06 177.54 5.63 Favored 'General case' 0 CA--C 1.547 0.857 0 C-N-CA 126.272 1.829 . . . . 10.0 112.245 170.844 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 20.3 t0 -124.61 92.39 3.64 Favored 'General case' 0 CA--C 1.542 0.639 0 C-N-CA 125.638 1.575 . . . . 10.0 110.371 173.648 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . 73.1 mt -132.83 128.87 57.58 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.709 0 C-N-CA 127.5 2.32 . . . . 10.0 107.785 -179.034 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 24.0 t0 -86.83 85.27 7.26 Favored 'General case' 0 CA--C 1.539 0.552 0 CA-C-O 121.947 0.879 . . . . 10.0 110.652 172.593 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 21' ' ' PHE . . . . . . . . . . . . . 77.6 m-85 -62.53 -41.54 98.94 Favored 'General case' 0 CA--C 1.54 0.586 0 C-N-CA 126.59 1.956 . . . . 10.0 111.684 171.028 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 131.49 155.22 8.04 Favored Glycine 0 CA--C 1.532 1.116 0 C-N-CA 128.15 2.786 . . . . 10.0 109.666 -169.726 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -41.46 -57.71 2.12 Favored 'General case' 0 CA--C 1.548 0.869 0 N-CA-C 115.333 1.605 . . . . 10.0 115.333 -169.665 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 37.0 tt0 -63.52 -43.98 95.59 Favored 'General case' 0 CA--C 1.544 0.714 0 C-N-CA 124.405 1.082 . . . . 10.0 112.682 179.057 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -65.66 -41.64 95.84 Favored Glycine 0 CA--C 1.534 1.265 0 C-N-CA 124.916 1.246 . . . . 10.0 113.991 177.8 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 82.0 m-20 -55.99 -49.25 74.14 Favored 'General case' 0 CA--C 1.537 0.457 0 C-N-CA 126.245 1.818 . . . . 10.0 110.445 173.658 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 98.6 mtt180 -60.66 -46.66 89.47 Favored 'General case' 0 N--CA 1.475 0.792 0 C-N-CA 125.102 1.361 . . . . 10.0 111.347 176.431 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 28' ' ' TYR . . . . . . . . . . . . . 75.9 t80 -58.43 -53.09 62.28 Favored 'General case' 0 CA--C 1.534 0.362 0 C-N-CA 123.969 0.908 . . . . 10.0 111.985 177.403 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 29' ' ' TYR . . . . . . . . . . . . . 74.9 t80 -56.02 -54.11 48.9 Favored 'General case' 0 CA--C 1.535 0.402 0 C-N-CA 124.534 1.133 . . . . 10.0 112.394 176.45 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -50.27 -37.17 34.61 Favored 'General case' 0 CA--C 1.547 0.827 0 N-CA-C 113.81 1.041 . . . . 10.0 113.81 177.122 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -82.95 -21.24 34.11 Favored 'General case' 0 CA--C 1.552 1.034 0 N-CA-C 115.262 1.579 . . . . 10.0 115.262 176.491 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 32' ' ' ASN . . . . . . . . . . . . . 61.0 m-80 -131.32 7.61 4.59 Favored 'General case' 0 CA--C 1.547 0.865 0 N-CA-C 116.888 2.181 . . . . 10.0 116.888 -169.145 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 33' ' ' TYR . . . . . . . . . . . . . 39.9 p90 -51.86 -25.99 9.09 Favored 'General case' 0 N--CA 1.479 0.984 0 N-CA-C 115.533 1.679 . . . . 10.0 115.533 -174.668 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 34' ' ' TRP . . . . . . . . . . . . . 65.8 p-90 -52.42 -34.57 49.03 Favored 'General case' 0 CA--C 1.546 0.825 0 C-N-CA 125.669 1.587 . . . . 10.0 114.116 172.094 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 31.1 mt-30 -69.89 -37.82 76.13 Favored 'General case' 0 N--CA 1.475 0.781 0 C-N-CA 124.57 1.148 . . . . 10.0 113.343 176.51 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 36' ' ' PHE . . . . . . . . . . . . . 65.2 m-85 -75.81 157.66 83.58 Favored Pre-proline 0 CA--C 1.546 0.802 0 C-N-CA 126.98 2.112 . . . . 10.0 114.202 -169.579 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 61.6 Cg_endo -73.7 150.01 44.23 Favored 'Trans proline' 0 CA--C 1.54 0.786 0 C-N-CA 123.272 2.648 . . . . 10.0 110.701 169.355 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 26.9 t70 -104.54 -33.9 8.39 Favored 'General case' 0 N--CA 1.472 0.661 0 C-N-CA 124.854 1.262 . . . . 10.0 111.248 172.11 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . -132.51 172.85 21.07 Favored Glycine 0 CA--C 1.536 1.35 0 C-N-CA 126.835 2.159 . . . . 10.0 111.218 169.387 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 40' ' ' ILE . . . . . . . . . . . . . 89.1 mt -136.52 124.04 33.2 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.779 0 C-N-CA 124.701 1.2 . . . . 10.0 108.764 174.496 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 41' ' ' TYR . . . . . . . . . . . . . 60.7 t80 -72.18 98.89 2.23 Favored 'General case' 0 CA--C 1.536 0.428 0 C-N-CA 124.35 1.06 . . . . 10.0 110.112 171.718 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 42' ' ' TYR . . . . . . . . . . . . . 61.2 t80 -157.69 139.7 14.21 Favored 'General case' 0 CA--C 1.535 0.372 0 C-N-CA 123.975 0.91 . . . . 10.0 111.88 177.885 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 46.4 mt-10 -128.42 89.15 2.85 Favored 'General case' 0 CA--C 1.539 0.542 0 C-N-CA 126.947 2.099 . . . . 10.0 108.365 179.784 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . -92.74 38.39 3.18 Favored Glycine 0 N--CA 1.47 0.939 0 N-CA-C 117.202 1.641 . . . . 10.0 117.202 -168.998 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 45' ' ' CYS . . . . . . . . . . . . . 28.0 p -145.75 133.68 21.34 Favored 'General case' 0 CA--C 1.54 0.56 0 CA-C-N 118.161 0.98 . . . . 10.0 112.479 170.524 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 73.8 p -139.15 -4.66 1.49 Allowed 'General case' 0 N--CA 1.475 0.794 0 C-N-CA 126.171 1.788 . . . . 10.0 114.0 179.196 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 77.7 mm-40 -141.57 138.29 32.55 Favored 'General case' 0 N--CA 1.471 0.604 0 C-N-CA 126.526 1.931 . . . . 10.0 110.769 -175.426 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -54.71 -31.48 58.21 Favored 'General case' 0 CA--C 1.548 0.885 0 C-N-CA 124.672 1.189 . . . . 10.0 113.674 176.131 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 73.4 m-80 -68.31 -22.87 64.69 Favored 'General case' 0 CA--C 1.544 0.727 0 C-N-CA 126.014 1.726 . . . . 10.0 114.278 178.6 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . 2.5 p -59.86 149.19 7.02 Favored 'Isoleucine or valine' 0 N--CA 1.479 1.019 0 C-N-CA 124.274 1.03 . . . . 10.0 112.741 -174.364 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 36.5 p -117.62 169.76 9.31 Favored 'General case' 0 N--CA 1.479 0.982 0 C-N-CA 125.475 1.51 . . . . 10.0 112.057 -177.953 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 88.1 tttt -58.77 -49.63 76.93 Favored 'General case' 0 N--CA 1.472 0.659 0 C-N-CA 123.778 0.831 . . . . 10.0 111.522 169.89 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 45.1 mt-10 -51.46 -48.6 62.75 Favored 'General case' 0 N--CA 1.472 0.671 0 C-N-CA 124.058 0.943 . . . . 10.0 111.862 176.254 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 54' ' ' MET . . . . . . . . . . . . . 98.1 mtp -57.16 -56.27 23.95 Favored 'General case' 0 CA--C 1.536 0.416 0 C-N-CA 124.045 0.938 . . . . 10.0 112.223 171.263 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 10.0 tt -53.76 -53.4 52.76 Favored 'General case' 0 N--CA 1.471 0.62 0 C-N-CA 124.873 1.269 . . . . 10.0 112.764 -178.021 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 48.0 t -61.38 -48.12 90.31 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.883 0 C-N-CA 124.956 1.302 . . . . 10.0 111.443 -179.005 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 57' ' ' THR . . . . . . . . . . . . . 59.8 m -60.02 -48.05 83.32 Favored 'General case' 0 N--CA 1.478 0.968 0 C-N-CA 124.012 0.925 . . . . 10.0 111.755 175.67 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 41.3 m -60.88 -38.32 85.26 Favored 'General case' 0 N--CA 1.47 0.546 0 C-N-CA 124.617 1.167 . . . . 10.0 112.211 177.447 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 59' ' ' CYS . . . . . . . . . . . . . 44.8 t -58.38 -49.9 75.6 Favored 'General case' 0 CA--C 1.535 0.368 0 C-N-CA 124.907 1.283 . . . . 10.0 112.932 172.49 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 60' ' ' VAL . . . . . . . . . . . . . 55.3 t -54.55 -50.62 57.36 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.94 0 CA-C-N 118.886 0.766 . . . . 10.0 111.095 172.086 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 61' ' ' ASN . . . . . . . . . . . . . 16.6 m-80 -58.14 -45.1 87.96 Favored 'General case' 0 CA--C 1.545 0.765 0 C-N-CA 124.516 1.126 . . . . 10.0 113.377 176.786 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -62.49 -47.39 84.2 Favored 'General case' 0 CA--C 1.535 0.372 0 C-N-CA 124.249 1.02 . . . . 10.0 111.406 175.866 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 63' ' ' THR . . . . . . . . . . . . . 28.6 m -55.54 -49.9 71.41 Favored 'General case' 0 N--CA 1.472 0.634 0 C-N-CA 124.99 1.316 . . . . 10.0 111.261 175.752 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 64' ' ' GLN . . . . . . . . . . . . . 83.7 mt-30 -49.25 -60.16 3.05 Favored 'General case' 0 CA--C 1.536 0.42 0 C-N-CA 125.248 1.419 . . . . 10.0 111.779 171.737 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -57.78 -41.75 82.68 Favored 'General case' 0 CA--C 1.545 0.762 0 C-N-CA 125.581 1.552 . . . . 10.0 113.798 -178.919 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -66.25 -39.83 89.78 Favored 'General case' 0 CA--C 1.542 0.658 0 C-N-CA 125.026 1.331 . . . . 10.0 114.063 178.679 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 67' ' ' ASN . . . . . . . . . . . . . 11.5 m-80 -119.1 38.9 3.69 Favored 'General case' 0 CA--C 1.548 0.881 0 C-N-CA 124.249 1.019 . . . . 10.0 112.833 -169.804 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 68' ' ' GLN . . . . . . . . . . . . . 32.0 mm-40 -48.62 -55.16 12.0 Favored 'General case' 0 N--CA 1.476 0.835 0 C-N-CA 126.61 1.964 . . . . 10.0 113.702 -176.382 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -57.39 -44.43 84.49 Favored 'General case' 0 CA--C 1.542 0.661 0 C-N-CA 124.779 1.232 . . . . 10.0 113.353 -175.761 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 48.0 mt-10 -59.78 -50.73 72.68 Favored 'General case' 0 N--CA 1.472 0.633 0 C-N-CA 124.579 1.151 . . . . 10.0 111.967 177.474 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 71' ' ' PHE . . . . . . . . . . . . . 40.5 m-85 -61.27 -60.0 4.43 Favored 'General case' 0 CA--C 1.535 0.403 0 C-N-CA 123.134 0.574 . . . . 10.0 112.039 174.829 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 27.3 t -49.2 -51.86 30.32 Favored 'General case' 0 N--CA 1.471 0.594 0 C-N-CA 126.263 1.825 . . . . 10.0 113.608 -171.044 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 73' ' ' ARG . . . . . . . . . . . . . 88.6 mtm180 -58.41 -56.03 27.39 Favored 'General case' 0 N--CA 1.475 0.819 0 C-N-CA 125.275 1.43 . . . . 10.0 112.639 178.943 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 18.0 mt-10 -67.09 -46.43 74.25 Favored 'General case' 0 N--CA 1.47 0.556 0 N-CA-C 113.969 1.099 . . . . 10.0 113.969 -178.303 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 88.0 tttt -48.19 -29.25 3.55 Favored 'General case' 0 N--CA 1.48 1.04 0 C-N-CA 127.325 2.25 . . . . 10.0 115.116 -173.773 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 76' ' ' GLN . . . . . . . . . . . . . 72.9 mm-40 -54.46 -32.83 58.5 Favored 'General case' 0 CA--C 1.545 0.785 0 C-N-CA 125.218 1.407 . . . . 10.0 113.831 174.535 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 32.1 t70 -138.1 -37.21 0.58 Allowed 'General case' 0 CA--C 1.546 0.8 0 C-N-CA 125.463 1.505 . . . . 10.0 114.352 -171.563 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -76.9 54.41 1.01 Allowed 'General case' 0 CA--C 1.547 0.865 0 C-N-CA 127.31 2.244 . . . . 10.0 113.71 -169.892 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 24.6 ttmm -54.33 -51.64 64.07 Favored 'General case' 0 N--CA 1.478 0.948 0 C-N-CA 126.61 1.964 . . . . 10.0 113.321 -174.067 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 43.0 tp -56.63 -48.56 77.25 Favored 'General case' 0 CA--C 1.538 0.502 0 C-N-CA 124.518 1.127 . . . . 10.0 111.641 175.904 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 81' ' ' HIS . . . . . . . . . . . . . 14.1 t-160 -56.35 -53.81 52.91 Favored 'General case' 0 N--CA 1.469 0.524 0 CA-C-O 118.44 -0.79 . . . . 10.0 111.411 175.053 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 82' ' ' GLN . . . . . . . . . . . . . 93.1 mm-40 -48.87 -56.42 8.81 Favored 'General case' 0 N--CA 1.47 0.572 0 C-N-CA 124.573 1.149 . . . . 10.0 112.078 177.241 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 83' ' ' ARG . . . . . . . . . . . . . 80.2 ttt180 -49.56 -57.52 6.95 Favored 'General case' 0 N--CA 1.478 0.949 0 C-N-CA 124.731 1.212 . . . . 10.0 112.512 178.911 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 84' ' ' VAL . . . . . . . . . . . . . 58.5 t -60.46 -50.58 79.8 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.823 0 C-N-CA 125.608 1.563 . . . . 10.0 111.078 179.614 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 85' ' ' LEU . . . . . . . . . . . . . 52.0 tp -56.6 -50.23 72.6 Favored 'General case' 0 N--CA 1.469 0.505 0 C-N-CA 125.884 1.674 . . . . 10.0 112.71 178.895 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 86' ' ' TRP . . . . . . . . . . . . . 64.3 m95 -60.81 -41.98 96.73 Favored 'General case' 0 N--CA 1.468 0.425 0 N-CA-C 113.488 0.922 . . . . 10.0 113.488 176.311 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 87' ' ' ARG . . . . . . . . . . . . . 14.1 tpt180 -56.43 -50.37 71.87 Favored 'General case' 0 N--CA 1.474 0.743 0 CA-C-N 118.698 0.681 . . . . 10.0 111.417 170.039 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 88' ' ' LEU . . . . . . . . . . . . . 2.2 tt -55.3 -53.99 49.18 Favored 'General case' 0 CA--C 1.545 0.761 0 C-N-CA 124.66 1.184 . . . . 10.0 111.764 176.735 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 89' ' ' ILE . . . . . . . . . . . . . 83.9 mt -50.62 -51.35 19.72 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.709 0 C-N-CA 124.896 1.279 . . . . 10.0 110.857 173.849 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 65.9 tttp -58.24 -45.53 87.57 Favored 'General case' 0 N--CA 1.471 0.606 0 CA-C-O 117.95 -1.024 . . . . 10.0 113.296 176.803 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 64.9 mm-40 -53.51 -51.05 64.08 Favored 'General case' 0 N--CA 1.473 0.714 0 CA-C-N 120.027 1.285 . . . . 10.0 111.752 172.417 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 92' ' ' ILE . . . . . . . . . . . . . 97.7 mt -57.43 -53.86 38.49 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.968 0 C-N-CA 124.093 0.957 . . . . 10.0 111.407 174.817 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 93' ' ' CYS . . . . . . . . . . . . . 67.9 m -56.73 -43.45 80.65 Favored 'General case' 0 CA--C 1.542 0.638 0 C-N-CA 124.577 1.151 . . . . 10.0 112.614 179.653 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 50.4 m -61.74 -43.0 99.7 Favored 'General case' 0 N--CA 1.474 0.765 0 C-N-CA 125.448 1.499 . . . . 10.0 112.891 173.241 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . -62.98 -50.77 69.45 Favored 'General case' 0 CA--C 1.542 0.672 0 C-N-CA 125.249 1.42 . . . . 10.0 113.32 -178.768 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 96' ' ' LYS . . . . . . . . . . . . . 1.1 ptpm? -60.78 142.3 56.14 Favored 'General case' 0 N--CA 1.481 1.078 0 CA-C-N 118.891 0.768 . . . . 10.0 111.901 176.001 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 97' ' ' HIS . . . . . . . . . . . . . 2.0 m-70 -137.13 152.3 49.82 Favored 'General case' 0 N--CA 1.476 0.833 0 C-N-CA 127.176 2.191 . . . . 10.0 110.377 -175.59 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 98' ' ' CYS . . . . . . . . . . . . . 23.5 t -69.38 144.72 53.33 Favored 'General case' 0 CA--C 1.543 0.683 0 N-CA-C 112.383 0.512 . . . . 10.0 112.383 176.503 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 99' ' ' ASP . . . . . . . . . . . . . 31.7 t70 -65.22 -45.73 83.52 Favored 'General case' 0 CA--C 1.545 0.757 0 C-N-CA 124.944 1.298 . . . . 10.0 113.221 174.413 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 100' ' ' PHE . . . . . . . . . . . . . 9.8 p90 -95.52 7.93 44.79 Favored 'General case' 0 CA--C 1.545 0.775 0 N-CA-C 115.752 1.76 . . . . 10.0 115.752 -169.836 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 101' ' ' TRP . . . . . . . . . . . . . 7.8 m0 . . . . . 0 N--CA 1.476 0.852 0 CA-C-N 119.795 1.18 . . . . 10.0 113.129 176.81 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' A' A ' 5' ' ' ASN . . . . . . . . . . . . . 30.7 m120 . . . . . 0 CA--C 1.549 0.922 0 CA-C-O 122.08 0.943 . . . . 10.0 112.02 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 6.5 ptm180 -136.29 160.13 68.12 Favored Pre-proline 0 N--CA 1.472 0.675 0 C-N-CA 129.198 2.999 . . . . 10.0 110.495 173.198 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 7' ' ' PRO . . . . . . . . . . . . . 84.5 Cg_exo -46.85 121.35 4.91 Favored 'Trans proline' 0 CA--C 1.537 0.636 0 C-N-CA 123.229 2.62 . . . . 10.0 112.293 174.279 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . 112.92 -20.43 19.78 Favored Glycine 0 CA--C 1.538 1.493 0 C-N-CA 126.565 2.031 . . . . 10.0 114.622 -171.2 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -58.57 132.22 53.12 Favored 'General case' 0 CA--C 1.544 0.734 0 CA-C-N 119.416 1.608 . . . . 10.0 114.033 -170.531 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 10' ' ' PHE . . . . . . . . . . . . . 15.1 m-30 -57.39 142.28 44.3 Favored 'General case' 0 CA--C 1.543 0.674 0 C-N-CA 124.969 1.308 . . . . 10.0 112.544 170.9 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 74.2 mt -123.9 120.4 59.54 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.558 0 C-N-CA 125.38 1.472 . . . . 10.0 107.645 169.777 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 8.3 mtpm? -120.24 83.67 2.09 Favored 'General case' 0 N--CA 1.47 0.553 0 C-N-CA 126.238 1.815 . . . . 10.0 109.944 -176.805 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 16.6 mm100 -77.33 -40.13 45.25 Favored 'General case' 0 CA--C 1.541 0.6 0 C-N-CA 126.658 1.983 . . . . 10.0 110.838 171.684 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . 103.63 67.19 0.74 Allowed Glycine 0 CA--C 1.529 0.965 0 C-N-CA 126.418 1.961 . . . . 10.0 111.094 -178.825 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 20.8 ttp180 -135.28 120.59 19.03 Favored 'General case' 0 N--CA 1.471 0.587 0 C-N-CA 126.808 2.043 . . . . 10.0 110.947 -169.84 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 70.1 tttt -82.05 138.79 34.77 Favored 'General case' 0 N--CA 1.474 0.772 0 C-N-CA 126.302 1.841 . . . . 10.0 110.898 178.795 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 56.8 mt -123.17 139.81 53.67 Favored 'General case' 0 N--CA 1.472 0.665 0 C-N-CA 125.627 1.571 . . . . 10.0 112.676 -169.94 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 12.9 p-10 -79.0 91.71 4.88 Favored 'General case' 0 CA--C 1.546 0.817 0 C-N-CA 126.516 1.926 . . . . 10.0 111.894 172.669 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . 86.0 mt -134.49 127.95 50.75 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.818 0 C-N-CA 126.527 1.931 . . . . 10.0 108.713 179.638 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 22.5 t0 -92.84 87.01 5.67 Favored 'General case' 0 CA--C 1.538 0.504 0 C-N-CA 124.036 0.934 . . . . 10.0 110.649 171.888 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 21' ' ' PHE . . . . . . . . . . . . . 91.0 m-85 -64.72 -42.16 95.44 Favored 'General case' 0 CA--C 1.539 0.55 0 C-N-CA 127.041 2.136 . . . . 10.0 112.016 172.537 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 131.87 158.15 8.94 Favored Glycine 0 CA--C 1.532 1.131 0 C-N-CA 127.749 2.595 . . . . 10.0 109.772 -169.338 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -40.51 -59.01 1.44 Allowed 'General case' 0 CA--C 1.546 0.792 0 N-CA-C 115.245 1.572 . . . . 10.0 115.245 -169.563 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 2.0 tp10 -68.57 -41.0 80.31 Favored 'General case' 0 N--CA 1.473 0.698 0 O-C-N 121.504 -0.748 . . . . 10.0 112.972 -178.311 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -65.79 -38.39 94.35 Favored Glycine 0 CA--C 1.533 1.203 0 C-N-CA 124.321 0.962 . . . . 10.0 113.783 176.677 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 90.5 m-20 -58.24 -50.57 73.12 Favored 'General case' 0 CA--C 1.535 0.37 0 C-N-CA 125.909 1.684 . . . . 10.0 110.335 173.037 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 92.8 mtt180 -55.89 -49.63 72.87 Favored 'General case' 0 N--CA 1.478 0.963 0 C-N-CA 124.547 1.139 . . . . 10.0 111.026 174.68 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 28' ' ' TYR . . . . . . . . . . . . . 74.5 t80 -58.42 -56.37 23.03 Favored 'General case' 0 CA--C 1.536 0.412 0 C-N-CA 124.412 1.085 . . . . 10.0 112.249 179.963 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 29' ' ' TYR . . . . . . . . . . . . . 80.5 t80 -56.51 -50.59 71.34 Favored 'General case' 0 CA--C 1.537 0.459 0 C-N-CA 124.07 0.948 . . . . 10.0 112.201 176.454 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -51.81 -35.68 45.08 Favored 'General case' 0 CA--C 1.545 0.773 0 N-CA-C 113.713 1.005 . . . . 10.0 113.713 179.158 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -86.83 -28.75 22.72 Favored 'General case' 0 CA--C 1.551 1.004 0 C-N-CA 125.509 1.524 . . . . 10.0 114.945 175.898 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 32' ' ' ASN . . . . . . . . . . . . . 53.4 m-80 -122.83 10.78 9.61 Favored 'General case' 0 CA--C 1.547 0.83 0 N-CA-C 116.441 2.015 . . . . 10.0 116.441 -169.1 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 33' ' ' TYR . . . . . . . . . . . . . 45.7 p90 -48.23 -34.1 9.69 Favored 'General case' 0 N--CA 1.477 0.908 0 C-N-CA 126.277 1.831 . . . . 10.0 114.824 -177.755 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 34' ' ' TRP . . . . . . . . . . . . . 64.1 p-90 -51.44 -29.74 17.12 Favored 'General case' 0 CA--C 1.545 0.782 0 C-N-CA 126.298 1.839 . . . . 10.0 114.772 173.78 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 30.4 mt-30 -72.5 -31.88 65.72 Favored 'General case' 0 N--CA 1.473 0.709 0 C-N-CA 124.729 1.212 . . . . 10.0 113.771 175.562 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 36' ' ' PHE . . . . . . . . . . . . . 46.4 m-85 -78.75 151.98 77.25 Favored Pre-proline 0 CA--C 1.545 0.76 0 C-N-CA 125.045 1.338 . . . . 10.0 112.872 -169.671 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 94.9 Cg_endo -73.61 103.87 1.71 Allowed 'Trans proline' 0 CA--C 1.536 0.611 0 C-N-CA 123.49 2.793 . . . . 10.0 109.52 169.602 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 3.0 p30 -70.02 -24.61 63.31 Favored 'General case' 0 N--CA 1.474 0.768 0 O-C-N 120.786 -1.196 . . . . 10.0 112.482 179.045 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . -126.37 162.7 20.5 Favored Glycine 0 CA--C 1.539 1.56 0 C-N-CA 126.177 1.846 . . . . 10.0 110.805 168.821 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 40' ' ' ILE . . . . . . . . . . . . . 94.7 mt -137.01 123.73 29.45 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.883 0 C-N-CA 124.521 1.129 . . . . 10.0 108.901 173.431 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 41' ' ' TYR . . . . . . . . . . . . . 67.3 t80 -71.59 106.7 4.13 Favored 'General case' 0 CA--C 1.535 0.383 0 C-N-CA 123.694 0.798 . . . . 10.0 110.191 171.888 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 42' ' ' TYR . . . . . . . . . . . . . 83.9 t80 -155.09 135.16 13.02 Favored 'General case' 0 CA--C 1.534 0.364 0 C-N-CA 124.138 0.975 . . . . 10.0 110.856 172.035 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 47.5 mt-10 -134.37 83.51 2.04 Favored 'General case' 0 N--CA 1.471 0.591 0 C-N-CA 125.905 1.682 . . . . 10.0 110.404 -175.708 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . -81.81 -29.4 38.89 Favored Glycine 0 CA--C 1.536 1.38 0 C-N-CA 124.739 1.162 . . . . 10.0 114.622 -177.292 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 45' ' ' CYS . . . . . . . . . . . . . 66.2 m -55.83 119.94 6.58 Favored 'General case' 0 CA--C 1.543 0.693 0 C-N-CA 126.003 1.721 . . . . 10.0 112.907 -176.663 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 14.5 p -144.68 -61.09 0.37 Allowed 'General case' 0 N--CA 1.472 0.633 0 C-N-CA 126.086 1.755 . . . . 10.0 111.788 178.93 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 11.5 pt-20 -142.59 158.95 43.14 Favored 'General case' 0 N--CA 1.472 0.659 0 C-N-CA 125.969 1.708 . . . . 10.0 112.915 -179.362 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -52.94 -29.2 27.33 Favored 'General case' 0 CA--C 1.546 0.794 0 C-N-CA 126.262 1.825 . . . . 10.0 115.546 -174.891 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 74.6 m-20 -59.41 -29.12 67.52 Favored 'General case' 0 CA--C 1.545 0.784 0 C-N-CA 124.628 1.171 . . . . 10.0 113.196 173.989 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . 64.2 t -74.81 95.15 0.9 Allowed 'Isoleucine or valine' 0 N--CA 1.473 0.689 0 C-N-CA 124.589 1.156 . . . . 10.0 108.724 169.784 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 81.5 p -75.4 176.71 7.23 Favored 'General case' 0 N--CA 1.477 0.906 0 C-N-CA 125.381 1.473 . . . . 10.0 111.798 171.864 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 88.0 tttt -59.99 -50.39 73.93 Favored 'General case' 0 N--CA 1.473 0.684 0 O-C-N 121.067 -1.021 . . . . 10.0 110.94 169.761 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 2.3 mp0 -50.21 -49.89 51.34 Favored 'General case' 0 CA--C 1.538 0.509 0 C-N-CA 124.797 1.239 . . . . 10.0 111.915 176.578 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 54' ' ' MET . . . . . . . . . . . . . 84.4 mmm -54.82 -57.85 9.94 Favored 'General case' 0 N--CA 1.468 0.452 0 C-N-CA 124.628 1.171 . . . . 10.0 112.176 171.078 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 6.9 tt -60.07 -54.72 42.65 Favored 'General case' 0 CA--C 1.534 0.342 0 C-N-CA 124.3 1.04 . . . . 10.0 112.472 -174.043 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 96.2 t -58.47 -45.33 90.03 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.795 0 C-N-CA 125.543 1.537 . . . . 10.0 111.228 -177.391 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 57' ' ' THR . . . . . . . . . . . . . 62.4 m -60.44 -48.72 80.54 Favored 'General case' 0 N--CA 1.477 0.923 0 C-N-CA 124.148 0.979 . . . . 10.0 111.455 173.48 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 48.8 m -59.23 -39.3 82.31 Favored 'General case' 0 N--CA 1.471 0.609 0 C-N-CA 124.136 0.974 . . . . 10.0 112.612 176.086 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 59' ' ' CYS . . . . . . . . . . . . . 44.6 t -59.08 -48.78 80.35 Favored 'General case' 0 CA--C 1.536 0.44 0 C-N-CA 126.094 1.757 . . . . 10.0 112.662 173.447 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 60' ' ' VAL . . . . . . . . . . . . . 51.1 t -55.92 -50.63 67.9 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.042 0 CA-C-N 119.129 0.877 . . . . 10.0 111.298 171.993 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 61' ' ' ASN . . . . . . . . . . . . . 21.9 m-80 -57.04 -44.95 83.46 Favored 'General case' 0 CA--C 1.544 0.729 0 C-N-CA 124.508 1.123 . . . . 10.0 113.018 175.915 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -61.55 -46.66 88.99 Favored 'General case' 0 CA--C 1.538 0.484 0 C-N-CA 124.476 1.111 . . . . 10.0 111.33 174.834 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 63' ' ' THR . . . . . . . . . . . . . 32.6 m -55.89 -47.99 76.41 Favored 'General case' 0 N--CA 1.472 0.673 0 C-N-CA 125.376 1.471 . . . . 10.0 111.815 176.029 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 64' ' ' GLN . . . . . . . . . . . . . 42.1 mt-30 -50.16 -60.66 2.74 Favored 'General case' 0 CA--C 1.538 0.517 0 C-N-CA 124.413 1.085 . . . . 10.0 111.534 170.78 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -56.92 -43.54 81.53 Favored 'General case' 0 CA--C 1.545 0.758 0 C-N-CA 125.867 1.667 . . . . 10.0 114.141 -178.082 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -68.26 -35.82 78.48 Favored 'General case' 0 CA--C 1.545 0.755 0 C-N-CA 125.153 1.381 . . . . 10.0 114.206 179.506 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 67' ' ' ASN . . . . . . . . . . . . . 7.1 m-80 -123.54 37.81 4.33 Favored 'General case' 0 CA--C 1.547 0.836 0 C-N-CA 124.271 1.028 . . . . 10.0 113.091 -169.776 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 68' ' ' GLN . . . . . . . . . . . . . 62.8 mt-30 -51.94 -50.94 60.17 Favored 'General case' 0 N--CA 1.476 0.871 0 C-N-CA 126.142 1.777 . . . . 10.0 113.241 -175.917 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -53.43 -46.79 69.95 Favored 'General case' 0 CA--C 1.541 0.597 0 C-N-CA 125.257 1.423 . . . . 10.0 112.937 -178.199 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 23.5 mm-40 -58.21 -56.34 23.26 Favored 'General case' 0 N--CA 1.469 0.515 0 C-N-CA 124.5 1.12 . . . . 10.0 111.177 -178.564 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 71' ' ' PHE . . . . . . . . . . . . . 25.9 m-85 -55.71 -48.84 74.47 Favored 'General case' 0 CA--C 1.538 0.519 0 C-N-CA 124.522 1.129 . . . . 10.0 112.159 174.949 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 69.8 m -56.3 -46.44 79.8 Favored 'General case' 0 N--CA 1.473 0.703 0 C-N-CA 125.527 1.531 . . . . 10.0 113.386 -179.282 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 73' ' ' ARG . . . . . . . . . . . . . 28.7 mmm180 -66.16 -55.18 17.63 Favored 'General case' 0 N--CA 1.474 0.759 0 C-N-CA 124.501 1.121 . . . . 10.0 112.147 174.997 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 31.5 mm-40 -57.95 -55.86 29.43 Favored 'General case' 0 N--CA 1.471 0.579 0 C-N-CA 124.533 1.133 . . . . 10.0 113.493 -173.991 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 20.4 pttp -49.51 -27.28 4.18 Favored 'General case' 0 N--CA 1.473 0.686 0 N-CA-C 116.882 2.178 . . . . 10.0 116.882 -170.05 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 76' ' ' GLN . . . . . . . . . . . . . 21.9 mm100 -58.4 -33.83 70.08 Favored 'General case' 0 CA--C 1.542 0.667 0 C-N-CA 125.693 1.597 . . . . 10.0 113.055 178.228 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 32.6 t70 -135.1 -40.22 0.75 Allowed 'General case' 0 N--CA 1.473 0.715 0 C-N-CA 125.753 1.621 . . . . 10.0 113.088 -176.121 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -77.13 52.92 0.93 Allowed 'General case' 0 CA--C 1.545 0.767 0 C-N-CA 127.814 2.446 . . . . 10.0 112.681 -176.074 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 99.3 mttt -59.33 -52.29 66.26 Favored 'General case' 0 N--CA 1.475 0.778 0 C-N-CA 126.087 1.755 . . . . 10.0 112.421 -174.681 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 50.6 tp -57.14 -46.21 82.88 Favored 'General case' 0 N--CA 1.471 0.587 0 C-N-CA 123.873 0.869 . . . . 10.0 111.552 173.073 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 81' ' ' HIS . . . . . . . . . . . . . 17.7 t-160 -52.18 -54.48 30.28 Favored 'General case' 0 N--CA 1.47 0.566 0 CA-C-O 117.995 -1.002 . . . . 10.0 111.454 177.418 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 82' ' ' GLN . . . . . . . . . . . . . 20.4 mm100 -49.9 -52.44 33.0 Favored 'General case' 0 N--CA 1.473 0.684 0 CA-C-N 119.277 0.944 . . . . 10.0 112.858 178.656 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 83' ' ' ARG . . . . . . . . . . . . . 55.5 mmm-85 -54.61 -54.33 42.85 Favored 'General case' 0 N--CA 1.48 1.071 0 C-N-CA 123.905 0.882 . . . . 10.0 112.524 178.702 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 84' ' ' VAL . . . . . . . . . . . . . 43.7 t -59.32 -49.53 83.16 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.895 0 C-N-CA 125.519 1.527 . . . . 10.0 110.794 177.189 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 85' ' ' LEU . . . . . . . . . . . . . 47.4 tp -55.79 -47.28 77.36 Favored 'General case' 0 N--CA 1.468 0.458 0 C-N-CA 127.166 2.186 . . . . 10.0 112.83 178.11 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 86' ' ' TRP . . . . . . . . . . . . . 62.1 m95 -63.3 -42.8 99.07 Favored 'General case' 0 N--CA 1.469 0.491 0 N-CA-C 113.82 1.045 . . . . 10.0 113.82 175.356 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 87' ' ' ARG . . . . . . . . . . . . . 14.0 tpt180 -56.75 -50.87 70.95 Favored 'General case' 0 N--CA 1.476 0.865 0 CA-C-N 118.853 0.751 . . . . 10.0 111.553 170.067 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 88' ' ' LEU . . . . . . . . . . . . . 1.9 tm? -52.17 -52.78 49.86 Favored 'General case' 0 CA--C 1.545 0.783 0 C-N-CA 125.772 1.629 . . . . 10.0 111.816 173.89 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 89' ' ' ILE . . . . . . . . . . . . . 70.3 mt -53.28 -50.74 45.65 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.788 0 C-N-CA 124.705 1.202 . . . . 10.0 111.082 173.905 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 16.7 tppt? -57.53 -48.51 79.11 Favored 'General case' 0 N--CA 1.474 0.753 0 C-N-CA 124.613 1.165 . . . . 10.0 112.965 177.371 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 68.8 mm-40 -52.67 -48.98 66.13 Favored 'General case' 0 N--CA 1.474 0.775 0 CA-C-N 119.437 1.017 . . . . 10.0 111.869 174.01 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 92' ' ' ILE . . . . . . . . . . . . . 97.3 mt -60.92 -52.06 65.98 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.679 0 C-N-CA 124.142 0.977 . . . . 10.0 111.536 174.921 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 93' ' ' CYS . . . . . . . . . . . . . 56.4 m -56.01 -46.33 78.79 Favored 'General case' 0 CA--C 1.542 0.654 0 C-N-CA 123.821 0.848 . . . . 10.0 112.248 177.943 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 16.2 t -51.19 -37.88 49.12 Favored 'General case' 0 N--CA 1.476 0.868 0 C-N-CA 125.516 1.526 . . . . 10.0 113.777 173.495 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . -66.77 -21.97 66.05 Favored 'General case' 0 CA--C 1.548 0.894 0 N-CA-C 114.924 1.453 . . . . 10.0 114.924 179.702 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 96' ' ' LYS . . . . . . . . . . . . . 3.4 mptp? -62.63 123.8 19.33 Favored 'General case' 0 N--CA 1.48 1.06 0 CA-C-N 119.643 1.11 . . . . 10.0 109.748 173.46 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 97' ' ' HIS . . . . . 0.473 ' HA ' ' CZ3' ' A' ' 101' ' ' TRP . 3.5 m-70 -133.61 154.05 51.19 Favored 'General case' 0 N--CA 1.473 0.684 0 C-N-CA 125.515 1.526 . . . . 10.0 111.635 177.7 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 98' ' ' CYS . . . . . . . . . . . . . 33.2 m -118.14 135.95 53.91 Favored 'General case' 0 CA--C 1.537 0.48 0 C-N-CA 124.811 1.244 . . . . 10.0 111.645 -179.819 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 99' ' ' ASP . . . . . . . . . . . . . 32.2 t70 -58.75 -37.82 77.05 Favored 'General case' 0 CA--C 1.544 0.735 0 C-N-CA 124.852 1.261 . . . . 10.0 113.194 -179.899 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 100' ' ' PHE . . . . . . . . . . . . . 12.5 p90 -69.28 -12.53 61.75 Favored 'General case' 0 CA--C 1.545 0.776 0 N-CA-C 115.337 1.606 . . . . 10.0 115.337 -179.364 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 101' ' ' TRP . . . . . 0.473 ' CZ3' ' HA ' ' A' ' 97' ' ' HIS . 40.5 m0 . . . . . 0 N--CA 1.474 0.738 0 CA-C-N 119.901 1.228 . . . . 10.0 113.543 -179.093 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 5' ' ' ASN . . . . . . . . . . . . . 14.4 t-20 . . . . . 0 CA--C 1.546 0.823 0 CA-C-O 122.657 1.217 . . . . 10.0 110.428 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 33.7 ptt180 -84.67 153.19 61.02 Favored Pre-proline 0 N--CA 1.475 0.81 0 C-N-CA 126.187 1.795 . . . . 10.0 111.819 169.794 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 7' ' ' PRO . . . . . . . . . . . . . 54.6 Cg_exo -51.43 121.04 7.77 Favored 'Trans proline' 0 CA--C 1.537 0.661 0 C-N-CA 123.461 2.774 . . . . 10.0 112.107 174.653 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . 115.34 -19.95 14.34 Favored Glycine 0 CA--C 1.537 1.434 0 C-N-CA 126.392 1.948 . . . . 10.0 114.216 -173.749 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -56.12 130.42 44.08 Favored 'General case' 0 CA--C 1.549 0.93 0 CA-C-N 119.432 1.616 . . . . 10.0 113.753 -171.322 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 10' ' ' PHE . . . . . . . . . . . . . 14.0 m-30 -57.78 145.44 34.85 Favored 'General case' 0 CA--C 1.542 0.657 0 C-N-CA 125.424 1.489 . . . . 10.0 113.085 173.844 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 53.4 mt -125.43 108.41 19.71 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.48 0 C-N-CA 125.06 1.344 . . . . 10.0 107.432 169.697 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 79.0 mttt -107.9 84.34 1.94 Allowed 'General case' 0 N--CA 1.471 0.622 0 C-N-CA 126.162 1.785 . . . . 10.0 110.417 -179.398 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 34.1 mt-30 -76.35 -35.33 58.77 Favored 'General case' 0 CA--C 1.541 0.599 0 C-N-CA 125.331 1.452 . . . . 10.0 110.508 169.717 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . 97.34 16.16 35.7 Favored Glycine 0 CA--C 1.535 1.316 0 C-N-CA 126.029 1.776 . . . . 10.0 113.122 -175.54 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 12.9 ttp180 -69.61 114.14 7.55 Favored 'General case' 0 N--CA 1.469 0.518 0 C-N-CA 127.609 2.364 . . . . 10.0 110.46 178.463 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 77.1 tttt -75.22 106.23 6.64 Favored 'General case' 0 N--CA 1.473 0.721 0 C-N-CA 125.236 1.414 . . . . 10.0 110.713 178.734 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 71.4 mt -79.77 179.66 7.41 Favored 'General case' 0 CA--C 1.546 0.8 0 C-N-CA 125.507 1.523 . . . . 10.0 112.221 -179.6 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 20.7 t70 -131.78 102.33 5.83 Favored 'General case' 0 CA--C 1.541 0.619 0 C-N-CA 125.695 1.598 . . . . 10.0 110.392 174.189 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . 95.4 mt -136.31 129.11 46.07 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.695 0 C-N-CA 127.159 2.183 . . . . 10.0 107.983 -175.542 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 24.3 t0 -87.31 84.1 7.26 Favored 'General case' 0 CA--C 1.54 0.567 0 CA-C-O 121.953 0.882 . . . . 10.0 110.828 172.737 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 21' ' ' PHE . . . . . . . . . . . . . 83.1 m-85 -62.61 -44.16 97.0 Favored 'General case' 0 CA--C 1.539 0.557 0 C-N-CA 126.786 2.035 . . . . 10.0 111.524 169.995 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 133.55 158.6 8.74 Favored Glycine 0 CA--C 1.533 1.213 0 C-N-CA 128.142 2.782 . . . . 10.0 110.185 -169.686 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -41.82 -53.93 3.55 Favored 'General case' 0 CA--C 1.547 0.852 0 N-CA-C 116.078 1.881 . . . . 10.0 116.078 -169.659 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 39.4 tt0 -66.28 -48.14 71.37 Favored 'General case' 0 N--CA 1.473 0.703 0 C-N-CA 125.086 1.354 . . . . 10.0 112.416 178.177 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -64.65 -40.28 97.39 Favored Glycine 0 CA--C 1.534 1.219 0 C-N-CA 124.958 1.266 . . . . 10.0 114.084 179.689 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 81.1 m-20 -55.09 -50.78 68.32 Favored 'General case' 0 CA--C 1.534 0.333 0 C-N-CA 126.468 1.907 . . . . 10.0 110.292 172.91 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 74.0 mtt85 -60.2 -46.08 90.95 Favored 'General case' 0 N--CA 1.475 0.808 0 C-N-CA 124.496 1.118 . . . . 10.0 111.701 176.656 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 28' ' ' TYR . . . . . . . . . . . . . 68.4 t80 -57.93 -54.65 44.57 Favored 'General case' 0 CA--C 1.537 0.452 0 C-N-CA 123.812 0.845 . . . . 10.0 112.322 176.636 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 29' ' ' TYR . . . . . . . . . . . . . 74.8 t80 -56.88 -51.36 69.36 Favored 'General case' 0 N--CA 1.468 0.438 0 C-N-CA 123.867 0.867 . . . . 10.0 112.097 176.467 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -51.23 -32.94 25.8 Favored 'General case' 0 CA--C 1.546 0.809 0 N-CA-C 114.007 1.114 . . . . 10.0 114.007 178.571 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -89.28 -28.57 19.8 Favored 'General case' 0 CA--C 1.551 1.019 0 C-N-CA 125.637 1.575 . . . . 10.0 114.962 175.914 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 32' ' ' ASN . . . . . . . . . . . . . 55.8 m-80 -122.53 7.64 9.52 Favored 'General case' 0 CA--C 1.547 0.859 0 N-CA-C 116.371 1.989 . . . . 10.0 116.371 -169.153 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 33' ' ' TYR . . . . . . . . . . . . . 47.5 p90 -43.87 -38.57 3.41 Favored 'General case' 0 N--CA 1.477 0.891 0 C-N-CA 127.548 2.339 . . . . 10.0 114.959 -178.006 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 34' ' ' TRP . . . . . . . . . . . . . 63.5 p-90 -49.95 -33.39 17.46 Favored 'General case' 0 CA--C 1.545 0.76 0 C-N-CA 126.528 1.931 . . . . 10.0 114.436 175.479 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 29.7 mt-30 -70.42 -32.02 69.46 Favored 'General case' 0 N--CA 1.471 0.62 0 C-N-CA 124.587 1.155 . . . . 10.0 113.956 176.69 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 36' ' ' PHE . . . . . . . . . . . . . 50.9 m-85 -78.13 150.31 77.43 Favored Pre-proline 0 CA--C 1.543 0.706 0 C-N-CA 125.171 1.388 . . . . 10.0 113.489 -169.556 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 83.2 Cg_endo -74.56 96.56 0.99 Allowed 'Trans proline' 0 CA--C 1.537 0.631 0 C-N-CA 123.661 2.907 . . . . 10.0 109.785 169.617 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 3.8 p30 -66.53 -25.24 66.58 Favored 'General case' 0 N--CA 1.474 0.75 0 O-C-N 120.963 -1.086 . . . . 10.0 112.401 178.642 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . -124.4 162.02 18.67 Favored Glycine 0 CA--C 1.537 1.408 0 C-N-CA 125.911 1.72 . . . . 10.0 110.717 168.904 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 40' ' ' ILE . . . . . . . . . . . . . 96.9 mt -135.96 124.14 36.72 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.712 0 C-N-CA 124.691 1.196 . . . . 10.0 108.74 175.173 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 41' ' ' TYR . . . . . . . . . . . . . 72.5 t80 -76.64 120.78 22.3 Favored 'General case' 0 CA--C 1.534 0.341 0 C-N-CA 124.379 1.071 . . . . 10.0 109.486 169.876 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 42' ' ' TYR . . . . . . . . . . . . . 49.6 t80 -151.54 151.62 31.83 Favored 'General case' 0 CA--C 1.541 0.602 0 O-C-N 121.418 -0.802 . . . . 10.0 111.901 177.147 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 48.1 mt-10 -130.16 96.61 4.22 Favored 'General case' 0 CA--C 1.538 0.494 0 C-N-CA 126.379 1.872 . . . . 10.0 109.717 -178.584 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . -113.94 -71.12 0.54 Allowed Glycine 0 CA--C 1.531 1.041 0 C-N-CA 125.56 1.552 . . . . 10.0 113.169 -174.281 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 45' ' ' CYS . . . . . . . . . . . . . 29.5 m -58.69 137.05 57.81 Favored 'General case' 0 CA--C 1.541 0.617 0 C-N-CA 125.463 1.505 . . . . 10.0 113.858 -178.698 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 49.4 p -145.91 -50.81 0.23 Allowed 'General case' 0 N--CA 1.472 0.661 0 C-N-CA 126.699 2.0 . . . . 10.0 111.417 179.61 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 11.5 pt-20 -138.54 161.2 37.67 Favored 'General case' 0 CA--C 1.541 0.605 0 C-N-CA 126.884 2.074 . . . . 10.0 112.352 178.643 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -52.48 -26.62 13.41 Favored 'General case' 0 CA--C 1.545 0.779 0 C-N-CA 126.484 1.914 . . . . 10.0 115.726 -174.614 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 71.0 m-20 -61.14 -31.03 70.75 Favored 'General case' 0 CA--C 1.545 0.758 0 C-N-CA 124.42 1.088 . . . . 10.0 113.32 174.478 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . 58.2 t -70.07 108.41 2.2 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.831 0 C-N-CA 124.434 1.094 . . . . 10.0 109.735 172.895 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 54.9 p -85.48 173.37 10.28 Favored 'General case' 0 N--CA 1.477 0.875 0 C-N-CA 124.186 0.994 . . . . 10.0 112.229 179.325 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 83.1 tttt -62.6 -49.02 76.89 Favored 'General case' 0 N--CA 1.471 0.584 0 O-C-N 121.403 -0.811 . . . . 10.0 110.954 169.742 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 2.3 mp0 -49.83 -48.35 50.99 Favored 'General case' 0 N--CA 1.471 0.584 0 C-N-CA 124.923 1.289 . . . . 10.0 112.212 174.975 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 54' ' ' MET . . . . . . . . . . . . . 92.9 mtp -55.1 -58.15 8.85 Favored 'General case' 0 N--CA 1.468 0.437 0 C-N-CA 124.409 1.084 . . . . 10.0 111.927 170.224 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 7.8 tt -53.73 -54.68 34.63 Favored 'General case' 0 CA--C 1.536 0.405 0 C-N-CA 124.185 0.994 . . . . 10.0 113.046 -178.544 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 47.8 t -58.95 -49.92 81.44 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.877 0 C-N-CA 124.155 0.982 . . . . 10.0 111.002 -175.017 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 57' ' ' THR . . . . . . . . . . . . . 31.0 m -60.67 -49.83 75.95 Favored 'General case' 0 N--CA 1.476 0.831 0 C-N-CA 124.488 1.115 . . . . 10.0 111.808 176.239 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 49.3 m -62.51 -37.92 87.94 Favored 'General case' 0 N--CA 1.472 0.638 0 C-N-CA 124.065 0.946 . . . . 10.0 112.651 179.512 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 59' ' ' CYS . . . . . . . . . . . . . 35.1 t -58.5 -49.27 77.98 Favored 'General case' 0 CA--C 1.537 0.475 0 C-N-CA 126.023 1.729 . . . . 10.0 112.452 173.332 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 60' ' ' VAL . . . . . . . . . . . . . 54.8 t -54.89 -51.14 55.85 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.062 0 C-N-CA 124.032 0.933 . . . . 10.0 111.342 171.664 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 61' ' ' ASN . . . . . . . . . . . . . 20.8 m-80 -58.11 -45.34 87.43 Favored 'General case' 0 CA--C 1.545 0.774 0 C-N-CA 124.547 1.139 . . . . 10.0 113.058 176.938 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -61.95 -47.37 85.18 Favored 'General case' 0 CA--C 1.535 0.398 0 C-N-CA 124.4 1.08 . . . . 10.0 111.297 175.914 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 63' ' ' THR . . . . . . . . . . . . . 33.4 m -53.12 -52.05 59.94 Favored 'General case' 0 N--CA 1.472 0.653 0 C-N-CA 125.057 1.343 . . . . 10.0 111.357 175.219 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 64' ' ' GLN . . . . . . . . . . . . . 79.3 mt-30 -49.5 -59.31 3.87 Favored 'General case' 0 N--CA 1.47 0.563 0 C-N-CA 125.253 1.421 . . . . 10.0 112.21 173.242 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -56.42 -43.22 79.16 Favored 'General case' 0 CA--C 1.544 0.743 0 C-N-CA 125.311 1.444 . . . . 10.0 113.554 179.717 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -71.96 -33.42 68.16 Favored 'General case' 0 CA--C 1.543 0.685 0 N-CA-C 114.634 1.346 . . . . 10.0 114.634 -177.07 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 67' ' ' ASN . . . . . . . . . . . . . 9.6 m-80 -122.55 40.18 3.74 Favored 'General case' 0 CA--C 1.547 0.863 0 CA-C-N 119.299 0.954 . . . . 10.0 112.737 -170.335 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 68' ' ' GLN . . . . . . . . . . . . . 65.9 mt-30 -53.91 -45.07 71.05 Favored 'General case' 0 N--CA 1.475 0.795 0 C-N-CA 125.572 1.549 . . . . 10.0 113.338 -177.949 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -54.94 -43.57 73.52 Favored 'General case' 0 CA--C 1.544 0.73 0 C-N-CA 125.363 1.465 . . . . 10.0 113.43 179.462 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 10.0 mm-40 -65.44 -53.62 40.28 Favored 'General case' 0 N--CA 1.47 0.567 0 C-N-CA 125.636 1.575 . . . . 10.0 111.37 176.669 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 71' ' ' PHE . . . . . . . . . . . . . 37.6 m-85 -61.25 -31.45 71.25 Favored 'General case' 0 N--CA 1.469 0.502 0 N-CA-C 113.669 0.988 . . . . 10.0 113.669 178.25 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 69.6 m -62.18 -55.51 27.88 Favored 'General case' 0 N--CA 1.471 0.596 0 C-N-CA 124.004 0.922 . . . . 10.0 112.16 175.417 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 73' ' ' ARG . . . . . . . . . . . . . 20.2 ptp180 -70.25 -50.7 37.01 Favored 'General case' 0 N--CA 1.476 0.832 0 C-N-CA 124.05 0.94 . . . . 10.0 113.437 -177.815 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 69.5 mm-40 -81.33 52.35 1.82 Allowed 'General case' 0 N--CA 1.477 0.91 0 C-N-CA 125.311 1.444 . . . . 10.0 112.236 -179.741 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 41.0 ttmt -142.37 -53.68 0.42 Allowed 'General case' 0 N--CA 1.477 0.923 0 C-N-CA 125.841 1.656 . . . . 10.0 113.288 176.623 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 76' ' ' GLN . . . . . . . . . . . . . 17.7 mm100 -43.93 -45.48 7.69 Favored 'General case' 0 N--CA 1.474 0.768 0 C-N-CA 126.992 2.117 . . . . 10.0 114.533 -169.832 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 26.4 t0 -135.76 50.07 2.12 Favored 'General case' 0 CA--C 1.544 0.747 0 C-N-CA 124.889 1.276 . . . . 10.0 110.36 169.911 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 5.6 m -143.84 37.17 1.3 Allowed 'General case' 0 N--CA 1.477 0.886 0 C-N-CA 125.209 1.404 . . . . 10.0 112.43 -169.907 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 14.5 mmmm -58.97 -45.38 90.69 Favored 'General case' 0 N--CA 1.478 0.969 0 C-N-CA 124.863 1.265 . . . . 10.0 112.941 -175.119 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 44.6 tp -55.72 -46.88 77.64 Favored 'General case' 0 N--CA 1.472 0.632 0 C-N-CA 124.378 1.071 . . . . 10.0 111.85 171.365 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 81' ' ' HIS . . . . . . . . . . . . . 10.0 t-160 -56.63 -54.83 41.5 Favored 'General case' 0 N--CA 1.47 0.53 0 CA-C-O 118.164 -0.922 . . . . 10.0 110.996 174.164 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 82' ' ' GLN . . . . . . . . . . . . . 75.0 mm-40 -48.53 -55.66 10.47 Favored 'General case' 0 N--CA 1.476 0.827 0 C-N-CA 124.603 1.161 . . . . 10.0 112.655 176.348 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 83' ' ' ARG . . . . . . . . . . . . . 48.2 mtp180 -47.82 -57.99 4.93 Favored 'General case' 0 N--CA 1.48 1.064 0 C-N-CA 125.468 1.507 . . . . 10.0 112.548 178.295 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 84' ' ' VAL . . . . . . . . . . . . . 46.9 t -62.87 -50.12 80.94 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.8 0 C-N-CA 125.625 1.57 . . . . 10.0 111.019 179.193 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 85' ' ' LEU . . . . . . . . . . . . . 47.5 tp -55.09 -47.02 75.49 Favored 'General case' 0 N--CA 1.469 0.514 0 C-N-CA 126.541 1.936 . . . . 10.0 112.65 179.652 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 86' ' ' TRP . . . . . . . . . . . . . 63.0 m95 -62.43 -45.9 91.01 Favored 'General case' 0 N--CA 1.465 0.301 0 N-CA-C 113.66 0.985 . . . . 10.0 113.66 175.471 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 87' ' ' ARG . . . . . . . . . . . . . 13.9 tpt180 -55.77 -50.9 69.2 Favored 'General case' 0 N--CA 1.473 0.721 0 CA-C-N 119.062 0.846 . . . . 10.0 111.489 171.212 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 88' ' ' LEU . . . . . . . . . . . . . 1.7 tm? -52.52 -53.31 47.77 Favored 'General case' 0 CA--C 1.545 0.769 0 C-N-CA 125.982 1.713 . . . . 10.0 112.027 175.314 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 89' ' ' ILE . . . . . . . . . . . . . 70.7 mt -54.93 -53.91 28.86 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.835 0 C-N-CA 124.355 1.062 . . . . 10.0 111.059 175.237 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 94.2 mttt -57.95 -43.5 86.41 Favored 'General case' 0 N--CA 1.472 0.627 0 C-N-CA 124.525 1.13 . . . . 10.0 112.836 178.322 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 8.7 tp10 -54.65 -51.45 65.39 Favored 'General case' 0 CA--C 1.543 0.704 0 C-N-CA 125.502 1.521 . . . . 10.0 111.465 173.309 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 92' ' ' ILE . . . . . . . . . . . . . 96.5 mt -57.58 -52.55 55.85 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.932 0 C-N-CA 124.814 1.246 . . . . 10.0 111.551 174.049 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 93' ' ' CYS . . . . . . . . . . . . . 91.1 m -56.07 -43.36 77.9 Favored 'General case' 0 CA--C 1.547 0.843 0 C-N-CA 124.195 0.998 . . . . 10.0 112.363 177.625 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 53.6 m -65.89 -40.39 91.53 Favored 'General case' 0 N--CA 1.477 0.892 0 C-N-CA 126.445 1.898 . . . . 10.0 113.657 176.662 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . -62.03 -53.33 57.08 Favored 'General case' 0 CA--C 1.543 0.683 0 C-N-CA 125.008 1.323 . . . . 10.0 113.063 -176.256 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 96' ' ' LYS . . . . . . . . . . . . . 18.9 ptpt -61.31 132.99 55.36 Favored 'General case' 0 N--CA 1.476 0.845 0 C-N-CA 124.587 1.155 . . . . 10.0 112.81 -178.637 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 97' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -133.13 153.69 51.29 Favored 'General case' 0 N--CA 1.47 0.551 0 C-N-CA 126.446 1.898 . . . . 10.0 114.083 -172.648 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 98' ' ' CYS . . . . . . . . . . . . . 56.2 m -111.11 129.83 55.81 Favored 'General case' 0 N--CA 1.47 0.564 0 C-N-CA 124.764 1.225 . . . . 10.0 112.029 -174.532 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 99' ' ' ASP . . . . . . . . . . . . . 5.9 p-10 -61.03 -31.4 71.04 Favored 'General case' 0 CA--C 1.543 0.674 0 C-N-CA 125.167 1.387 . . . . 10.0 114.703 -172.648 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 100' ' ' PHE . . . . . . . . . . . . . 7.1 p90 -73.6 -14.87 61.26 Favored 'General case' 0 CA--C 1.543 0.701 0 N-CA-C 114.804 1.409 . . . . 10.0 114.804 179.8 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 101' ' ' TRP . . . . . . . . . . . . . 43.5 m0 . . . . . 0 N--CA 1.472 0.654 0 CA-C-N 119.652 1.115 . . . . 10.0 112.861 -179.982 . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' A' A ' 5' ' ' ASN . . . . . . . . . . . . . 55.1 t30 . . . . . 0 CA--C 1.544 0.744 0 CA-C-O 121.781 0.8 . . . . 10.0 111.561 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 7.8 ptm180 -72.7 155.67 90.67 Favored Pre-proline 0 N--CA 1.477 0.883 0 C-N-CA 124.144 0.978 . . . . 10.0 112.464 169.848 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 7' ' ' PRO . . . . . . . . . . . . . 67.1 Cg_exo -51.62 128.16 25.15 Favored 'Trans proline' 0 C--N 1.35 0.648 0 C-N-CA 123.584 2.856 . . . . 10.0 112.276 171.153 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . 106.77 -13.45 42.01 Favored Glycine 0 CA--C 1.535 1.315 0 C-N-CA 126.081 1.8 . . . . 10.0 114.143 -173.228 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -61.92 130.08 43.94 Favored 'General case' 0 CA--C 1.545 0.759 0 CA-C-N 119.39 1.595 . . . . 10.0 112.569 -176.171 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 10' ' ' PHE . . . . . . . . . . . . . 21.1 m-85 -61.28 149.3 38.34 Favored 'General case' 0 CA--C 1.541 0.602 0 C-N-CA 124.065 0.946 . . . . 10.0 112.587 174.238 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 76.7 mt -121.54 117.31 52.22 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.476 0 C-N-CA 125.735 1.614 . . . . 10.0 107.208 169.77 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 91.8 mttt -120.2 79.23 1.44 Allowed 'General case' 0 N--CA 1.471 0.59 0 C-N-CA 125.996 1.718 . . . . 10.0 109.74 -175.676 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 42.0 mt-30 -73.77 -36.72 65.12 Favored 'General case' 0 CA--C 1.539 0.536 0 C-N-CA 126.177 1.791 . . . . 10.0 110.854 171.687 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . 96.72 64.12 0.92 Allowed Glycine 0 CA--C 1.528 0.873 0 C-N-CA 125.423 1.487 . . . . 10.0 110.492 -178.317 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 15.7 ttp180 -132.33 106.57 7.99 Favored 'General case' 0 N--CA 1.469 0.496 0 C-N-CA 127.049 2.14 . . . . 10.0 110.142 -169.545 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 41.1 tttm -65.94 130.31 42.81 Favored 'General case' 0 N--CA 1.474 0.731 0 C-N-CA 123.865 0.866 . . . . 10.0 110.766 176.412 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 66.8 mt -96.89 -179.98 4.75 Favored 'General case' 0 CA--C 1.545 0.755 0 C-N-CA 126.581 1.952 . . . . 10.0 111.892 176.982 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 19.4 t0 -130.26 94.52 3.7 Favored 'General case' 0 CA--C 1.541 0.612 0 C-N-CA 125.863 1.665 . . . . 10.0 109.944 174.666 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . 94.3 mt -135.04 127.75 48.59 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.699 0 C-N-CA 126.915 2.086 . . . . 10.0 108.134 -173.321 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 23.6 t0 -86.58 84.71 7.35 Favored 'General case' 0 CA--C 1.539 0.54 0 CA-C-O 121.906 0.86 . . . . 10.0 110.542 171.712 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 21' ' ' PHE . . . . . . . . . . . . . 74.9 m-85 -62.81 -43.26 99.28 Favored 'General case' 0 CA--C 1.54 0.596 0 C-N-CA 126.794 2.038 . . . . 10.0 111.565 170.704 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 136.0 151.66 6.18 Favored Glycine 0 CA--C 1.533 1.186 0 C-N-CA 128.184 2.802 . . . . 10.0 109.685 -169.754 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -39.72 -58.31 1.36 Allowed 'General case' 0 CA--C 1.547 0.834 0 N-CA-C 115.785 1.772 . . . . 10.0 115.785 -169.46 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 33.7 tt0 -65.33 -43.27 91.5 Favored 'General case' 0 CA--C 1.546 0.79 0 C-N-CA 124.145 0.978 . . . . 10.0 112.718 -179.727 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -65.9 -39.14 94.85 Favored Glycine 0 CA--C 1.535 1.286 0 C-N-CA 124.823 1.202 . . . . 10.0 114.023 176.325 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 83.2 m-20 -56.79 -49.44 75.33 Favored 'General case' 0 CA--C 1.536 0.432 0 C-N-CA 125.842 1.657 . . . . 10.0 110.422 173.343 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 71.8 mtp85 -59.97 -45.95 91.03 Favored 'General case' 0 N--CA 1.473 0.719 0 C-N-CA 125.054 1.342 . . . . 10.0 111.468 176.592 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 28' ' ' TYR . . . . . . . . . . . . . 82.8 t80 -58.71 -53.87 53.53 Favored 'General case' 0 CA--C 1.537 0.449 0 C-N-CA 124.194 0.998 . . . . 10.0 112.008 176.459 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 29' ' ' TYR . . . . . . . . . . . . . 80.2 t80 -55.96 -52.87 62.63 Favored 'General case' 0 CA--C 1.537 0.45 0 C-N-CA 124.325 1.05 . . . . 10.0 112.484 176.684 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -49.84 -38.26 34.35 Favored 'General case' 0 CA--C 1.546 0.826 0 C-N-CA 124.232 1.013 . . . . 10.0 113.702 177.577 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -84.41 -23.26 30.11 Favored 'General case' 0 CA--C 1.551 0.985 0 N-CA-C 115.279 1.585 . . . . 10.0 115.279 176.759 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 32' ' ' ASN . . . . . . . . . . . . . 58.0 m-80 -128.48 10.03 6.12 Favored 'General case' 0 CA--C 1.548 0.883 0 N-CA-C 116.692 2.108 . . . . 10.0 116.692 -169.189 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 33' ' ' TYR . . . . . . . . . . . . . 43.4 p90 -51.33 -29.35 14.89 Favored 'General case' 0 N--CA 1.477 0.909 0 N-CA-C 115.15 1.537 . . . . 10.0 115.15 -175.648 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 34' ' ' TRP . . . . . . . . . . . . . 65.7 p-90 -50.93 -34.23 27.7 Favored 'General case' 0 CA--C 1.545 0.767 0 C-N-CA 125.85 1.66 . . . . 10.0 114.168 173.422 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 30.7 mt-30 -69.5 -39.09 77.8 Favored 'General case' 0 N--CA 1.472 0.65 0 C-N-CA 124.851 1.261 . . . . 10.0 113.672 176.34 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 36' ' ' PHE . . . . . . . . . . . . . 63.1 m-85 -73.57 154.32 89.63 Favored Pre-proline 0 CA--C 1.545 0.765 0 C-N-CA 126.305 1.842 . . . . 10.0 114.904 -169.178 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 94.3 Cg_endo -74.24 121.04 6.57 Favored 'Trans proline' 0 CA--C 1.537 0.652 0 C-N-CA 123.827 3.018 . . . . 10.0 109.494 169.171 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 3.6 p30 -87.42 -23.53 24.48 Favored 'General case' 0 CA--C 1.545 0.783 0 O-C-N 121.426 -0.796 . . . . 10.0 112.205 173.284 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . -131.36 167.11 22.64 Favored Glycine 0 CA--C 1.539 1.558 0 C-N-CA 126.365 1.936 . . . . 10.0 111.635 168.948 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 40' ' ' ILE . . . . . . . . . . . . . 96.8 mt -139.69 125.56 22.03 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.953 0 C-N-CA 125.079 1.351 . . . . 10.0 109.081 174.381 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 41' ' ' TYR . . . . . . . . . . . . . 86.7 t80 -75.48 117.6 17.45 Favored 'General case' 0 CA--C 1.537 0.455 0 C-N-CA 124.72 1.208 . . . . 10.0 110.279 169.968 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 42' ' ' TYR . . . . . . . . . . . . . 62.5 t80 -153.63 152.73 31.19 Favored 'General case' 0 CA--C 1.541 0.612 0 C-N-CA 124.263 1.025 . . . . 10.0 111.697 178.596 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 51.0 mt-10 -130.17 99.42 5.05 Favored 'General case' 0 N--CA 1.47 0.532 0 C-N-CA 125.879 1.672 . . . . 10.0 110.523 -179.441 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . -107.43 -49.99 0.83 Allowed Glycine 0 CA--C 1.532 1.13 0 C-N-CA 125.412 1.482 . . . . 10.0 114.313 -174.791 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 45' ' ' CYS . . . . . . . . . . . . . 65.2 m -59.51 127.05 30.1 Favored 'General case' 0 CA--C 1.544 0.747 0 C-N-CA 125.691 1.597 . . . . 10.0 113.246 -174.983 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 65.7 p -139.06 -58.61 0.6 Allowed 'General case' 0 N--CA 1.474 0.762 0 C-N-CA 125.834 1.654 . . . . 10.0 112.15 174.867 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 12.1 pt-20 -144.24 158.82 43.52 Favored 'General case' 0 N--CA 1.472 0.639 0 C-N-CA 125.933 1.693 . . . . 10.0 113.02 179.509 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -57.19 -21.06 30.56 Favored 'General case' 0 CA--C 1.545 0.773 0 N-CA-C 115.702 1.742 . . . . 10.0 115.702 -175.243 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 76.1 m-20 -65.61 -26.77 67.98 Favored 'General case' 0 CA--C 1.545 0.78 0 C-N-CA 124.244 1.018 . . . . 10.0 113.382 172.571 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . 67.8 t -63.63 115.05 2.2 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.85 0 C-N-CA 124.472 1.109 . . . . 10.0 109.348 170.554 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 39.6 p -86.41 172.57 10.28 Favored 'General case' 0 N--CA 1.475 0.787 0 C-N-CA 123.608 0.763 . . . . 10.0 111.983 177.383 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 40.8 tttp -60.61 -50.22 74.41 Favored 'General case' 0 N--CA 1.473 0.697 0 O-C-N 121.41 -0.806 . . . . 10.0 111.245 169.984 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 44.7 mt-10 -51.07 -49.08 61.33 Favored 'General case' 0 N--CA 1.471 0.597 0 C-N-CA 124.504 1.121 . . . . 10.0 111.803 176.011 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 54' ' ' MET . . . . . . . . . . . . . 94.5 mtp -54.25 -57.32 11.64 Favored 'General case' 0 N--CA 1.468 0.444 0 C-N-CA 124.193 0.997 . . . . 10.0 112.186 171.552 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 8.0 tt -61.69 -52.95 62.2 Favored 'General case' 0 CA--C 1.536 0.426 0 C-N-CA 123.553 0.741 . . . . 10.0 112.731 -173.424 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 62.5 t -57.32 -48.58 82.22 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.864 0 C-N-CA 124.961 1.305 . . . . 10.0 110.756 -179.869 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 57' ' ' THR . . . . . . . . . . . . . 65.9 m -59.94 -48.01 83.44 Favored 'General case' 0 N--CA 1.479 0.975 0 C-N-CA 124.346 1.058 . . . . 10.0 111.839 175.972 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 48.7 m -60.66 -39.56 88.8 Favored 'General case' 0 N--CA 1.472 0.635 0 C-N-CA 124.154 0.982 . . . . 10.0 112.522 177.395 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 59' ' ' CYS . . . . . . . . . . . . . 33.7 t -58.29 -49.4 77.26 Favored 'General case' 0 CA--C 1.54 0.561 0 C-N-CA 125.351 1.46 . . . . 10.0 112.759 171.451 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 60' ' ' VAL . . . . . . . . . . . . . 47.8 t -55.36 -48.7 76.52 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.067 0 C-N-CA 123.943 0.897 . . . . 10.0 111.501 172.092 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 61' ' ' ASN . . . . . . . . . . . . . 13.3 m-80 -59.2 -44.63 92.23 Favored 'General case' 0 CA--C 1.544 0.725 0 C-N-CA 124.547 1.139 . . . . 10.0 113.051 176.082 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -60.84 -46.51 90.28 Favored 'General case' 0 CA--C 1.537 0.445 0 C-N-CA 123.774 0.83 . . . . 10.0 111.284 174.25 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 63' ' ' THR . . . . . . . . . . . . . 27.1 m -57.53 -46.97 83.21 Favored 'General case' 0 N--CA 1.473 0.713 0 C-N-CA 124.992 1.317 . . . . 10.0 111.928 176.485 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 64' ' ' GLN . . . . . . . . . . . . . 62.1 mt-30 -50.47 -61.98 1.86 Allowed 'General case' 0 N--CA 1.468 0.451 0 C-N-CA 124.675 1.19 . . . . 10.0 111.662 169.995 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -55.14 -43.21 73.97 Favored 'General case' 0 CA--C 1.544 0.747 0 C-N-CA 125.732 1.613 . . . . 10.0 113.737 -178.471 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -66.28 -39.92 89.74 Favored 'General case' 0 CA--C 1.543 0.685 0 C-N-CA 125.449 1.5 . . . . 10.0 114.203 178.523 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 67' ' ' ASN . . . . . . . . . . . . . 12.5 m-80 -120.75 37.5 4.28 Favored 'General case' 0 N--CA 1.474 0.737 0 C-N-CA 124.206 1.002 . . . . 10.0 113.338 -169.575 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 68' ' ' GLN . . . . . . . . . . . . . 63.3 mt-30 -51.54 -53.36 38.67 Favored 'General case' 0 N--CA 1.475 0.798 0 C-N-CA 125.745 1.618 . . . . 10.0 112.417 -179.014 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -52.54 -45.78 66.5 Favored 'General case' 0 CA--C 1.54 0.582 0 C-N-CA 125.309 1.444 . . . . 10.0 112.944 178.769 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 8.2 mm-40 -57.78 -56.08 26.62 Favored 'General case' 0 N--CA 1.471 0.59 0 C-N-CA 124.45 1.1 . . . . 10.0 111.601 179.733 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 71' ' ' PHE . . . . . . . . . . . . . 29.6 m-85 -55.71 -50.1 71.23 Favored 'General case' 0 CA--C 1.539 0.54 0 C-N-CA 124.374 1.069 . . . . 10.0 112.098 176.75 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 61.9 m -56.65 -52.8 63.49 Favored 'General case' 0 N--CA 1.474 0.725 0 C-N-CA 124.857 1.263 . . . . 10.0 113.519 177.175 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 73' ' ' ARG . . . . . . . . . . . . . 64.4 mtm180 -60.03 -55.5 33.23 Favored 'General case' 0 N--CA 1.476 0.864 0 C-N-CA 124.754 1.221 . . . . 10.0 112.537 179.485 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 52.0 mm-40 -55.05 -68.45 0.19 Allowed 'General case' 0 CA--C 1.541 0.603 0 C-N-CA 125.011 1.324 . . . . 10.0 112.793 -178.5 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 88.0 tttt -33.11 -45.93 0.15 Allowed 'General case' 0 N--CA 1.481 1.081 0 C-N-CA 129.054 2.942 . . . . 10.0 116.096 -171.317 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 76' ' ' GLN . . . . . . . . . . . . . 20.0 mm100 -46.7 -49.38 19.5 Favored 'General case' 0 CA--C 1.542 0.661 0 C-N-CA 125.734 1.613 . . . . 10.0 113.025 178.129 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 32.7 t70 -104.59 -50.8 3.22 Favored 'General case' 0 N--CA 1.471 0.624 0 C-N-CA 125.447 1.499 . . . . 10.0 111.608 176.982 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 56.3 m -75.23 65.65 1.61 Allowed 'General case' 0 CA--C 1.54 0.568 0 C-N-CA 127.552 2.341 . . . . 10.0 112.018 176.328 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 64.0 mttp -66.24 -59.92 3.28 Favored 'General case' 0 N--CA 1.475 0.821 0 C-N-CA 126.519 1.927 . . . . 10.0 112.148 178.658 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 62.9 tp -53.16 -42.06 65.77 Favored 'General case' 0 N--CA 1.476 0.834 0 C-N-CA 125.091 1.356 . . . . 10.0 112.006 176.238 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 81' ' ' HIS . . . . . . . . . . . . . 13.6 t-160 -46.58 -48.17 19.64 Favored 'General case' 0 N--CA 1.468 0.454 0 C-N-CA 124.798 1.239 . . . . 10.0 111.839 179.632 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 82' ' ' GLN . . . . . . . . . . . . . 70.2 mm-40 -52.35 -52.09 55.25 Favored 'General case' 0 N--CA 1.47 0.564 0 C-N-CA 124.355 1.062 . . . . 10.0 112.825 -177.72 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 83' ' ' ARG . . . . . . . . . . . . . 16.4 mmp_? -55.03 -53.46 55.5 Favored 'General case' 0 N--CA 1.478 0.951 0 C-N-CA 124.799 1.239 . . . . 10.0 111.836 -179.991 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 84' ' ' VAL . . . . . . . . . . . . . 18.3 t -59.8 -53.49 47.78 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.769 0 C-N-CA 126.217 1.807 . . . . 10.0 110.722 177.813 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 85' ' ' LEU . . . . . . . . . . . . . 48.4 tp -55.73 -50.5 70.18 Favored 'General case' 0 CA--C 1.535 0.367 0 C-N-CA 127.145 2.178 . . . . 10.0 112.54 179.94 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 86' ' ' TRP . . . . . . . . . . . . . 56.0 m95 -60.73 -43.52 97.8 Favored 'General case' 0 N--CA 1.466 0.352 0 N-CA-C 113.567 0.951 . . . . 10.0 113.567 175.944 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 87' ' ' ARG . . . . . . . . . . . . . 13.8 tpt180 -56.29 -48.52 76.47 Favored 'General case' 0 N--CA 1.473 0.715 0 CA-C-N 118.897 0.771 . . . . 10.0 111.384 170.807 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 88' ' ' LEU . . . . . . . . . . . . . 1.7 tt -56.72 -53.0 62.78 Favored 'General case' 0 CA--C 1.544 0.743 0 C-N-CA 124.474 1.11 . . . . 10.0 111.846 176.142 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 89' ' ' ILE . . . . . . . . . . . . . 76.8 mt -50.66 -52.73 15.47 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.75 0 C-N-CA 124.846 1.258 . . . . 10.0 110.795 174.343 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 61.9 mtpt -57.19 -44.62 83.79 Favored 'General case' 0 N--CA 1.472 0.658 0 C-N-CA 124.379 1.072 . . . . 10.0 113.02 174.978 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 6.2 tp10 -55.62 -48.6 74.66 Favored 'General case' 0 CA--C 1.547 0.839 0 C-N-CA 125.062 1.345 . . . . 10.0 112.139 174.403 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 92' ' ' ILE . . . . . . . . . . . . . 96.1 mt -58.37 -54.01 38.58 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.863 0 C-N-CA 125.062 1.345 . . . . 10.0 111.118 172.077 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 93' ' ' CYS . . . . . . . . . . . . . 96.3 m -55.53 -43.08 75.42 Favored 'General case' 0 CA--C 1.546 0.803 0 C-N-CA 123.929 0.892 . . . . 10.0 112.655 178.41 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 67.5 m -58.58 -34.87 71.57 Favored 'General case' 0 N--CA 1.477 0.893 0 C-N-CA 126.326 1.85 . . . . 10.0 113.732 176.822 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . -67.91 -27.64 66.82 Favored 'General case' 0 CA--C 1.547 0.853 0 C-N-CA 124.437 1.095 . . . . 10.0 113.868 177.828 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 96' ' ' LYS . . . . . . . . . . . . . 42.1 mttm -63.85 127.62 32.17 Favored 'General case' 0 N--CA 1.477 0.915 0 C-N-CA 125.364 1.466 . . . . 10.0 112.252 -174.71 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 97' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -131.49 148.2 52.61 Favored 'General case' 0 CA--C 1.537 0.478 0 C-N-CA 126.249 1.82 . . . . 10.0 114.409 -172.035 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 98' ' ' CYS . . . . . . . . . . . . . 56.0 m -109.45 137.86 46.68 Favored 'General case' 0 CA--C 1.538 0.504 0 C-N-CA 124.958 1.303 . . . . 10.0 111.821 177.828 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 99' ' ' ASP . . . . . . . . . . . . . 31.4 t70 -60.72 -41.58 95.56 Favored 'General case' 0 N--CA 1.474 0.735 0 C-N-CA 124.556 1.142 . . . . 10.0 112.989 179.643 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 100' ' ' PHE . . . . . . . . . . . . . 6.3 p90 -70.49 -12.03 61.31 Favored 'General case' 0 CA--C 1.545 0.758 0 N-CA-C 115.4 1.629 . . . . 10.0 115.4 -178.704 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 101' ' ' TRP . . . . . . . . . . . . . 6.5 m0 . . . . . 0 CA--C 1.541 0.604 0 N-CA-C 115.702 1.741 . . . . 10.0 115.702 -169.755 . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' A' A ' 5' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER . . . . . 0 CA--C 1.546 0.817 0 CA-C-O 122.447 1.118 . . . . 10.0 109.269 . . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 70.7 mtt180 -78.21 154.93 79.77 Favored Pre-proline 0 N--CA 1.477 0.92 0 C-N-CA 126.758 2.023 . . . . 10.0 110.939 -179.555 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 7' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_exo -51.38 121.11 7.86 Favored 'Trans proline' 0 CA--C 1.541 0.832 0 C-N-CA 122.4 2.067 . . . . 10.0 110.215 169.092 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . 111.92 -16.83 25.37 Favored Glycine 0 CA--C 1.539 1.533 0 C-N-CA 126.464 1.983 . . . . 10.0 114.178 -169.708 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -59.8 134.0 56.62 Favored 'General case' 0 CA--C 1.543 0.701 0 CA-C-N 119.739 1.77 . . . . 10.0 113.492 -172.37 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 10' ' ' PHE . . . . . . . . . . . . . 14.2 m-30 -58.79 144.68 43.24 Favored 'General case' 0 CA--C 1.539 0.556 0 C-N-CA 125.279 1.431 . . . . 10.0 112.506 172.464 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 50.0 mt -123.39 111.42 29.33 Favored 'Isoleucine or valine' 0 C--O 1.237 0.424 0 N-CA-C 106.859 -1.534 . . . . 10.0 106.859 169.445 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 81.4 mttt -104.92 84.97 2.21 Favored 'General case' 0 N--CA 1.471 0.625 0 C-N-CA 125.713 1.605 . . . . 10.0 109.501 178.947 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 36.0 mt-30 -75.04 -40.13 60.58 Favored 'General case' 0 CA--C 1.539 0.532 0 C-N-CA 124.736 1.215 . . . . 10.0 110.365 171.642 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . 101.16 65.73 0.79 Allowed Glycine 0 CA--C 1.528 0.862 0 C-N-CA 125.917 1.723 . . . . 10.0 110.675 -179.578 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 19.9 ttp85 -133.51 111.94 11.11 Favored 'General case' 0 N--CA 1.469 0.504 0 C-N-CA 126.637 1.975 . . . . 10.0 110.533 -169.738 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 80.4 tttt -73.11 104.31 4.14 Favored 'General case' 0 N--CA 1.473 0.687 0 C-N-CA 125.849 1.659 . . . . 10.0 110.752 179.865 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 79.2 mt -77.35 177.27 8.08 Favored 'General case' 0 CA--C 1.546 0.81 0 C-N-CA 125.208 1.403 . . . . 10.0 112.3 179.676 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 19.2 t0 -128.18 100.12 5.72 Favored 'General case' 0 CA--C 1.541 0.634 0 C-N-CA 125.855 1.662 . . . . 10.0 110.241 176.049 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . 87.3 mt -137.27 129.71 42.94 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.709 0 C-N-CA 126.968 2.107 . . . . 10.0 108.346 -173.357 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 24.3 t0 -89.46 83.67 6.37 Favored 'General case' 0 CA--C 1.54 0.571 0 CA-C-O 122.001 0.905 . . . . 10.0 111.017 172.952 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 21' ' ' PHE . . . . . . . . . . . . . 81.6 m-85 -62.96 -45.36 92.81 Favored 'General case' 0 CA--C 1.539 0.549 0 C-N-CA 126.996 2.118 . . . . 10.0 111.466 169.901 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 137.05 157.34 7.61 Favored Glycine 0 CA--C 1.534 1.249 0 C-N-CA 128.24 2.829 . . . . 10.0 110.008 -169.629 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -41.03 -54.03 2.88 Favored 'General case' 0 CA--C 1.547 0.832 0 N-CA-C 116.3 1.963 . . . . 10.0 116.3 -169.531 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 5.3 tp10 -69.35 -47.98 62.72 Favored 'General case' 0 CA--C 1.544 0.72 0 C-N-CA 124.125 0.97 . . . . 10.0 112.282 179.299 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -62.16 -38.22 95.81 Favored Glycine 0 CA--C 1.534 1.252 0 C-N-CA 124.722 1.154 . . . . 10.0 113.852 178.209 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 79.5 m-20 -56.43 -52.49 64.48 Favored 'General case' 0 CA--C 1.534 0.338 0 C-N-CA 126.096 1.758 . . . . 10.0 110.181 173.027 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 75.7 mtt85 -59.24 -47.27 85.99 Favored 'General case' 0 N--CA 1.476 0.837 0 C-N-CA 124.512 1.125 . . . . 10.0 111.485 176.415 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 28' ' ' TYR . . . . . . . . . . . . . 77.0 t80 -58.55 -53.38 58.94 Favored 'General case' 0 CA--C 1.537 0.468 0 C-N-CA 124.349 1.06 . . . . 10.0 112.508 179.018 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 29' ' ' TYR . . . . . . . . . . . . . 82.7 t80 -57.28 -52.27 66.02 Favored 'General case' 0 CA--C 1.537 0.45 0 C-N-CA 123.764 0.826 . . . . 10.0 111.848 174.293 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -52.77 -37.25 59.31 Favored 'General case' 0 CA--C 1.545 0.774 0 N-CA-C 113.557 0.947 . . . . 10.0 113.557 179.328 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -80.16 -31.13 38.94 Favored 'General case' 0 CA--C 1.55 0.968 0 N-CA-C 114.962 1.468 . . . . 10.0 114.962 175.111 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 32' ' ' ASN . . . . . . . . . . . . . 48.7 m-80 -125.42 16.61 8.27 Favored 'General case' 0 CA--C 1.548 0.896 0 N-CA-C 116.488 2.032 . . . . 10.0 116.488 -169.059 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 33' ' ' TYR . . . . . . . . . . . . . 51.6 p90 -50.36 -32.12 16.53 Favored 'General case' 0 N--CA 1.476 0.856 0 C-N-CA 126.093 1.757 . . . . 10.0 114.639 -176.444 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 34' ' ' TRP . . . . . . . . . . . . . 65.7 p-90 -51.51 -33.97 33.97 Favored 'General case' 0 CA--C 1.545 0.768 0 C-N-CA 126.375 1.87 . . . . 10.0 114.219 174.844 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 31.6 mt-30 -65.62 -45.26 83.77 Favored 'General case' 0 N--CA 1.472 0.645 0 C-N-CA 124.45 1.1 . . . . 10.0 112.645 175.793 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 36' ' ' PHE . . . . . . . . . . . . . 56.0 m-85 -72.77 153.91 91.27 Favored Pre-proline 0 CA--C 1.544 0.718 0 C-N-CA 126.775 2.03 . . . . 10.0 112.922 -171.868 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 93.9 Cg_endo -72.37 157.49 53.18 Favored 'Trans proline' 0 CA--C 1.541 0.87 0 C-N-CA 122.209 1.939 . . . . 10.0 109.107 168.485 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 3.8 p30 -118.16 -25.43 6.65 Favored 'General case' 0 N--CA 1.474 0.757 0 O-C-N 121.199 -0.938 . . . . 10.0 111.911 171.016 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . -119.42 160.28 14.41 Favored Glycine 0 CA--C 1.536 1.389 0 C-N-CA 125.633 1.587 . . . . 10.0 110.096 168.42 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 40' ' ' ILE . . . . . . . . . . . . . 91.1 mt -134.75 122.98 40.32 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.756 0 C-N-CA 124.356 1.062 . . . . 10.0 108.512 172.76 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 41' ' ' TYR . . . . . . . . . . . . . 91.5 t80 -73.83 102.01 3.92 Favored 'General case' 0 CA--C 1.536 0.424 0 C-N-CA 124.975 1.31 . . . . 10.0 109.913 174.111 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 42' ' ' TYR . . . . . . . . . . . . . 85.7 t80 -153.18 137.74 16.83 Favored 'General case' 0 CA--C 1.538 0.494 0 C-N-CA 124.085 0.954 . . . . 10.0 111.056 177.688 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 46.1 mt-10 -132.53 64.17 1.61 Allowed 'General case' 0 N--CA 1.474 0.759 0 C-N-CA 125.397 1.479 . . . . 10.0 110.944 -173.528 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . -67.2 -52.33 32.64 Favored Glycine 0 CA--C 1.533 1.172 0 C-N-CA 125.157 1.36 . . . . 10.0 113.934 -178.558 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 45' ' ' CYS . . . . . . . . . . . . . 28.5 m -60.54 135.67 57.82 Favored 'General case' 0 CA--C 1.541 0.597 0 C-N-CA 125.323 1.449 . . . . 10.0 114.015 -175.139 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 25.8 t -148.02 -51.4 0.18 Allowed 'General case' 0 N--CA 1.472 0.629 0 C-N-CA 126.557 1.943 . . . . 10.0 110.961 178.291 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 10.5 pt-20 -139.6 163.04 33.62 Favored 'General case' 0 CA--C 1.542 0.637 0 C-N-CA 126.425 1.89 . . . . 10.0 111.971 179.032 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -51.38 -28.46 12.64 Favored 'General case' 0 CA--C 1.547 0.832 0 C-N-CA 126.498 1.919 . . . . 10.0 115.813 -174.237 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 69.8 m-80 -60.14 -28.52 67.95 Favored 'General case' 0 CA--C 1.545 0.785 0 C-N-CA 124.599 1.16 . . . . 10.0 113.281 173.896 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . 46.4 t -78.14 91.96 1.29 Allowed 'Isoleucine or valine' 0 N--CA 1.472 0.638 0 C-N-CA 124.521 1.128 . . . . 10.0 108.863 169.811 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 67.8 p -78.63 -179.99 6.78 Favored 'General case' 0 N--CA 1.476 0.838 0 C-N-CA 125.593 1.557 . . . . 10.0 112.064 175.293 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 86.0 tttt -59.95 -55.79 29.73 Favored 'General case' 0 N--CA 1.473 0.676 0 O-C-N 121.122 -0.986 . . . . 10.0 111.733 169.982 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 12.3 pt-20 -53.38 -38.88 63.78 Favored 'General case' 0 N--CA 1.474 0.768 0 CA-C-N 118.72 0.691 . . . . 10.0 112.705 178.868 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 54' ' ' MET . . . . . . . . . . . . . 85.3 mmm -59.23 -58.01 10.5 Favored 'General case' 0 CA--C 1.538 0.484 0 C-N-CA 124.099 0.96 . . . . 10.0 111.573 169.506 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 6.9 tt -54.48 -56.7 16.07 Favored 'General case' 0 CA--C 1.536 0.441 0 C-N-CA 124.499 1.12 . . . . 10.0 113.049 -178.955 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 22.5 t -60.21 -51.0 78.0 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.902 0 C-N-CA 123.743 0.817 . . . . 10.0 110.555 -173.911 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 57' ' ' THR . . . . . . . . . . . . . 28.5 m -60.85 -51.72 68.1 Favored 'General case' 0 N--CA 1.475 0.816 0 C-N-CA 124.346 1.058 . . . . 10.0 111.791 179.205 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 8.3 t -61.16 -40.78 95.16 Favored 'General case' 0 N--CA 1.47 0.53 0 C-N-CA 123.672 0.789 . . . . 10.0 112.23 178.638 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 59' ' ' CYS . . . . . . . . . . . . . 21.1 t -55.73 -53.6 54.63 Favored 'General case' 0 CA--C 1.534 0.337 0 C-N-CA 124.615 1.166 . . . . 10.0 112.85 169.955 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 60' ' ' VAL . . . . . . . . . . . . . 39.6 t -55.94 -39.72 58.84 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.852 0 C-N-CA 124.394 1.078 . . . . 10.0 111.811 177.266 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 61' ' ' ASN . . . . . . . . . . . . . 17.4 m-80 -63.85 -49.42 72.85 Favored 'General case' 0 CA--C 1.545 0.771 0 C-N-CA 124.766 1.226 . . . . 10.0 113.096 170.479 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -60.08 -42.37 94.43 Favored 'General case' 0 CA--C 1.543 0.689 0 C-N-CA 124.927 1.291 . . . . 10.0 112.106 178.039 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 63' ' ' THR . . . . . . . . . . . . . 61.3 m -54.86 -48.53 72.79 Favored 'General case' 0 N--CA 1.471 0.594 0 C-N-CA 126.349 1.86 . . . . 10.0 111.732 176.176 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 64' ' ' GLN . . . . . . . . . . . . . 48.8 mt-30 -51.43 -56.57 12.53 Favored 'General case' 0 N--CA 1.47 0.57 0 C-N-CA 124.278 1.031 . . . . 10.0 111.728 173.089 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -58.03 -42.31 85.02 Favored 'General case' 0 CA--C 1.545 0.775 0 C-N-CA 125.785 1.634 . . . . 10.0 113.994 -179.961 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -72.2 -36.79 69.3 Favored 'General case' 0 CA--C 1.545 0.767 0 N-CA-C 114.178 1.177 . . . . 10.0 114.178 -179.654 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 67' ' ' ASN . . . . . . . . . . . . . 8.5 m-80 -117.92 39.07 3.46 Favored 'General case' 0 N--CA 1.475 0.814 0 C-N-CA 124.324 1.05 . . . . 10.0 112.607 -170.689 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 68' ' ' GLN . . . . . . . . . . . . . 63.5 mt-30 -51.52 -46.53 63.3 Favored 'General case' 0 N--CA 1.474 0.775 0 C-N-CA 125.803 1.641 . . . . 10.0 113.141 -177.705 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -54.56 -52.13 63.07 Favored 'General case' 0 CA--C 1.541 0.618 0 C-N-CA 125.036 1.334 . . . . 10.0 112.636 177.996 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 9.9 mm-40 -56.65 -48.41 77.63 Favored 'General case' 0 N--CA 1.472 0.653 0 C-N-CA 124.714 1.206 . . . . 10.0 112.433 -179.837 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 71' ' ' PHE . . . . . . . . . . . . . 34.2 m-85 -61.45 -49.59 76.21 Favored 'General case' 0 CA--C 1.537 0.446 0 C-N-CA 122.898 0.479 . . . . 10.0 112.019 174.247 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 58.9 m -55.36 -47.66 75.42 Favored 'General case' 0 N--CA 1.475 0.797 0 C-N-CA 124.927 1.291 . . . . 10.0 113.213 178.463 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 73' ' ' ARG . . . . . . . . . . . . . 90.7 mtt180 -51.45 -51.86 51.27 Favored 'General case' 0 N--CA 1.477 0.884 0 C-N-CA 126.293 1.837 . . . . 10.0 112.314 176.106 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 46.6 mm-40 -81.04 -62.03 1.78 Allowed 'General case' 0 CA--C 1.54 0.579 0 C-N-CA 124.674 1.19 . . . . 10.0 113.159 -175.2 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 41.4 ttmt -46.35 -40.27 11.64 Favored 'General case' 0 N--CA 1.481 1.079 0 C-N-CA 128.19 2.596 . . . . 10.0 114.96 -170.906 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 76' ' ' GLN . . . . . . . . . . . . . 22.0 mm100 -60.44 -19.36 56.11 Favored 'General case' 0 CA--C 1.546 0.811 0 C-N-CA 124.906 1.282 . . . . 10.0 114.422 179.905 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 31.7 t70 -128.62 -48.31 1.27 Allowed 'General case' 0 N--CA 1.473 0.696 0 C-N-CA 125.683 1.593 . . . . 10.0 112.829 178.752 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 4.4 t -66.6 129.95 41.57 Favored 'General case' 0 CA--C 1.536 0.414 0 C-N-CA 125.719 1.608 . . . . 10.0 113.673 -175.089 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 60.3 tptt -88.65 -62.38 1.5 Allowed 'General case' 0 N--CA 1.474 0.748 0 C-N-CA 125.4 1.48 . . . . 10.0 111.739 173.66 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 49.2 tp -70.84 -44.61 66.11 Favored 'General case' 0 N--CA 1.469 0.496 0 C-N-CA 124.977 1.311 . . . . 10.0 113.404 -174.094 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 81' ' ' HIS . . . . . . . . . . . . . 14.1 t-160 -51.0 -50.62 58.11 Favored 'General case' 0 N--CA 1.475 0.81 0 CA-C-N 119.201 0.909 . . . . 10.0 112.323 -170.604 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 82' ' ' GLN . . . . . . . . . . . . . 92.2 mm-40 -52.61 -48.56 66.24 Favored 'General case' 0 N--CA 1.471 0.6 0 C-N-CA 123.895 0.878 . . . . 10.0 112.85 177.977 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 83' ' ' ARG . . . . . . . . . . . . . 14.2 mmp_? -51.97 -54.73 26.2 Favored 'General case' 0 N--CA 1.481 1.081 0 C-N-CA 124.796 1.238 . . . . 10.0 111.357 178.507 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 84' ' ' VAL . . . . . . . . . . . . . 21.4 t -62.31 -51.44 72.27 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.684 0 C-N-CA 126.482 1.913 . . . . 10.0 110.82 178.345 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 85' ' ' LEU . . . . . . . . . . . . . 50.4 tp -56.82 -46.72 81.48 Favored 'General case' 0 N--CA 1.468 0.463 0 C-N-CA 126.869 2.068 . . . . 10.0 112.919 -179.231 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 86' ' ' TRP . . . . . . . . . . . . . 73.2 m95 -64.93 -43.0 94.21 Favored 'General case' 0 N--CA 1.466 0.337 0 N-CA-C 113.48 0.918 . . . . 10.0 113.48 175.824 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 87' ' ' ARG . . . . . . . . . . . . . 13.6 tpt180 -55.99 -51.97 65.87 Favored 'General case' 0 N--CA 1.474 0.733 0 CA-C-O 118.663 -0.684 . . . . 10.0 110.99 169.832 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 88' ' ' LEU . . . . . . . . . . . . . 1.7 tm? -51.5 -54.49 26.61 Favored 'General case' 0 CA--C 1.544 0.74 0 C-N-CA 126.476 1.911 . . . . 10.0 112.143 175.125 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 89' ' ' ILE . . . . . . . . . . . . . 64.2 mt -53.89 -52.22 37.72 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.841 0 C-N-CA 124.71 1.204 . . . . 10.0 111.16 176.693 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 39.9 ttmt -60.89 -44.45 97.1 Favored 'General case' 0 N--CA 1.469 0.522 0 C-N-CA 123.865 0.866 . . . . 10.0 112.411 177.382 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 8.1 tp10 -54.17 -50.37 67.15 Favored 'General case' 0 CA--C 1.541 0.62 0 C-N-CA 125.269 1.428 . . . . 10.0 111.576 175.112 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 92' ' ' ILE . . . . . . . . . . . . . 96.7 mt -53.35 -58.22 3.5 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.905 0 C-N-CA 124.145 0.978 . . . . 10.0 110.904 171.604 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 93' ' ' CYS . . . . . . . . . . . . 0.307 0.5 OUTLIER -69.39 -28.11 65.89 Favored 'General case' 0 CA--C 1.546 0.823 0 N-CA-C 114.109 1.152 . . . . 10.0 114.109 -172.72 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 23.8 t -68.13 -40.94 82.34 Favored 'General case' 0 N--CA 1.474 0.73 0 C-N-CA 125.897 1.679 . . . . 10.0 112.405 169.368 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . -60.09 -51.36 69.94 Favored 'General case' 0 CA--C 1.542 0.645 0 C-N-CA 124.483 1.113 . . . . 10.0 113.037 179.705 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 96' ' ' LYS . . . . . . . . . . . . . 18.9 ptpt -58.58 137.91 57.18 Favored 'General case' 0 N--CA 1.48 1.052 0 O-C-N 121.449 -0.782 . . . . 10.0 112.64 177.025 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 97' ' ' HIS . . . . . . . . . . . . . 17.7 m80 -130.98 166.65 20.51 Favored 'General case' 0 N--CA 1.478 0.954 0 C-N-CA 126.775 2.03 . . . . 10.0 112.266 -177.566 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 98' ' ' CYS . . . . . . . . . . . . . 50.6 m -126.7 134.25 50.73 Favored 'General case' 0 CA--C 1.539 0.533 0 C-N-CA 125.662 1.585 . . . . 10.0 111.678 -178.016 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 99' ' ' ASP . . . . . . . . . . . . . 11.9 m-20 -57.05 -40.19 76.33 Favored 'General case' 0 N--CA 1.472 0.673 0 C-N-CA 125.524 1.53 . . . . 10.0 113.836 -172.015 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 100' ' ' PHE . . . . . . . . . . . . . 9.7 p90 -72.0 -4.73 30.31 Favored 'General case' 0 CA--C 1.545 0.761 0 N-CA-C 115.038 1.496 . . . . 10.0 115.038 -178.041 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 101' ' ' TRP . . . . . . . . . . . . . 53.2 m0 . . . . . 0 N--CA 1.475 0.789 0 CA-C-N 120.183 1.356 . . . . 10.0 112.308 175.538 . . . . . . . . 0 0 . 1 . 011 nuclear nobuild core ' A' A ' 5' ' ' ASN . . . . . . . . . . . . . 1.3 t30 . . . . . 0 CA--C 1.55 0.972 0 CA-C-O 121.66 0.743 . . . . 10.0 112.593 . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild core ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 9.6 ptp180 -121.91 151.64 58.22 Favored Pre-proline 0 N--CA 1.478 0.933 0 C-N-CA 127.921 2.488 . . . . 10.0 110.77 172.772 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 7' ' ' PRO . . . . . . . . . . . . . 80.8 Cg_exo -47.4 114.53 1.05 Allowed 'Trans proline' 0 CA--C 1.541 0.85 0 C-N-CA 123.761 2.974 . . . . 10.0 113.868 -175.066 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . 114.6 -18.64 17.23 Favored Glycine 0 CA--C 1.539 1.537 0 C-N-CA 127.132 2.301 . . . . 10.0 114.42 -171.957 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -57.34 132.87 54.38 Favored 'General case' 0 CA--C 1.543 0.674 0 N-CA-C 115.495 1.665 . . . . 10.0 115.495 -169.603 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 10' ' ' PHE . . . . . . . . . . . . . 7.4 m-30 -58.38 134.19 56.4 Favored 'General case' 0 CA--C 1.541 0.615 0 C-N-CA 126.246 1.819 . . . . 10.0 112.489 170.216 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 61.7 mt -116.06 99.07 7.64 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.508 0 N-CA-C 106.741 -1.577 . . . . 10.0 106.741 169.618 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 53.8 mtmt -101.77 73.52 1.43 Allowed 'General case' 0 N--CA 1.472 0.652 0 C-N-CA 126.857 2.063 . . . . 10.0 110.074 -176.413 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 86.6 mm-40 -71.39 -45.32 63.08 Favored 'General case' 0 CA--C 1.54 0.559 0 C-N-CA 124.081 0.953 . . . . 10.0 110.395 170.643 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . 105.51 70.12 0.77 Allowed Glycine 0 CA--C 1.53 0.978 0 C-N-CA 126.024 1.773 . . . . 10.0 111.309 178.759 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 10.3 ttp180 -137.03 117.96 14.22 Favored 'General case' 0 N--CA 1.472 0.665 0 C-N-CA 126.97 2.108 . . . . 10.0 110.436 -169.819 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 44.8 tttm -69.66 139.53 53.53 Favored 'General case' 0 N--CA 1.474 0.731 0 C-N-CA 124.439 1.096 . . . . 10.0 111.769 179.609 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 61.2 mt -111.96 -179.74 3.77 Favored 'General case' 0 CA--C 1.546 0.798 0 C-N-CA 127.769 2.428 . . . . 10.0 111.651 174.506 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 20.9 t70 -126.13 99.61 5.97 Favored 'General case' 0 CA--C 1.542 0.646 0 C-N-CA 125.533 1.533 . . . . 10.0 110.569 175.065 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . 69.5 mt -136.3 130.86 48.15 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.727 0 C-N-CA 127.415 2.286 . . . . 10.0 108.143 -175.731 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 23.9 t0 -89.83 85.02 6.29 Favored 'General case' 0 N--CA 1.47 0.535 0 CA-C-O 122.075 0.94 . . . . 10.0 110.921 172.305 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 21' ' ' PHE . . . . . . . . . . . . . 82.8 m-85 -63.81 -44.36 93.53 Favored 'General case' 0 CA--C 1.54 0.561 0 C-N-CA 126.935 2.094 . . . . 10.0 111.73 170.335 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 133.52 160.46 9.4 Favored Glycine 0 CA--C 1.533 1.202 0 C-N-CA 127.989 2.709 . . . . 10.0 109.963 -169.517 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -42.15 -56.31 2.92 Favored 'General case' 0 CA--C 1.547 0.83 0 N-CA-C 115.432 1.642 . . . . 10.0 115.432 -169.727 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 26.0 mm-40 -63.89 -49.56 72.21 Favored 'General case' 0 N--CA 1.472 0.664 0 C-N-CA 124.185 0.994 . . . . 10.0 112.132 178.811 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -64.67 -38.04 95.15 Favored Glycine 0 CA--C 1.533 1.159 0 C-N-CA 124.621 1.105 . . . . 10.0 114.143 -178.967 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 84.2 m-20 -57.27 -53.72 54.93 Favored 'General case' 0 CA--C 1.533 0.32 0 C-N-CA 126.048 1.739 . . . . 10.0 110.145 173.86 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 94.2 mtt-85 -58.32 -47.68 82.94 Favored 'General case' 0 N--CA 1.474 0.745 0 C-N-CA 124.949 1.3 . . . . 10.0 111.458 175.861 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 28' ' ' TYR . . . . . . . . . . . . . 78.1 t80 -58.47 -54.63 44.83 Favored 'General case' 0 CA--C 1.536 0.44 0 C-N-CA 124.364 1.066 . . . . 10.0 112.363 178.89 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 29' ' ' TYR . . . . . . . . . . . . . 86.7 t80 -57.26 -50.63 72.28 Favored 'General case' 0 CA--C 1.538 0.489 0 C-N-CA 124.3 1.04 . . . . 10.0 112.221 176.047 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -52.07 -38.77 58.28 Favored 'General case' 0 CA--C 1.546 0.801 0 N-CA-C 113.461 0.911 . . . . 10.0 113.461 177.238 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -81.76 -25.78 35.03 Favored 'General case' 0 CA--C 1.55 0.949 0 N-CA-C 115.063 1.505 . . . . 10.0 115.063 176.107 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 32' ' ' ASN . . . . . . . . . . . . . 57.7 m-80 -126.65 11.47 7.3 Favored 'General case' 0 CA--C 1.548 0.866 0 N-CA-C 116.8 2.148 . . . . 10.0 116.8 -169.081 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 33' ' ' TYR . . . . . . . . . . . . . 41.6 p90 -51.04 -29.06 11.65 Favored 'General case' 0 N--CA 1.478 0.956 0 C-N-CA 125.285 1.434 . . . . 10.0 114.724 -177.62 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 34' ' ' TRP . . . . . . . . . . . . . 64.1 p-90 -52.37 -29.8 25.77 Favored 'General case' 0 CA--C 1.544 0.722 0 C-N-CA 126.109 1.763 . . . . 10.0 114.477 173.4 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 30.7 mt-30 -74.12 -39.78 63.12 Favored 'General case' 0 N--CA 1.473 0.695 0 C-N-CA 124.646 1.179 . . . . 10.0 113.351 174.681 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 36' ' ' PHE . . . . . . . . . . . . . 58.2 m-85 -70.83 149.66 95.11 Favored Pre-proline 0 CA--C 1.545 0.766 0 C-N-CA 125.687 1.595 . . . . 10.0 113.615 -169.552 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 84.2 Cg_endo -73.51 100.18 1.22 Allowed 'Trans proline' 0 CA--C 1.535 0.556 0 C-N-CA 123.772 2.981 . . . . 10.0 110.35 170.233 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 4.5 p30 -68.41 -20.02 64.63 Favored 'General case' 0 CA--C 1.545 0.778 0 O-C-N 121.02 -1.05 . . . . 10.0 112.955 177.391 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . -129.71 161.02 22.89 Favored Glycine 0 CA--C 1.535 1.302 0 C-N-CA 125.945 1.736 . . . . 10.0 110.764 169.045 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 40' ' ' ILE . . . . . . . . . . . . . 79.3 mt -136.95 122.72 27.13 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.8 0 C-N-CA 124.139 0.976 . . . . 10.0 109.333 174.328 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 41' ' ' TYR . . . . . . . . . . . . . 82.6 t80 -72.82 100.43 2.88 Favored 'General case' 0 CA--C 1.537 0.471 0 C-N-CA 124.365 1.066 . . . . 10.0 110.129 172.242 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 42' ' ' TYR . . . . . . . . . . . . . 83.2 t80 -156.29 136.59 12.99 Favored 'General case' 0 N--CA 1.467 0.406 0 C-N-CA 124.481 1.112 . . . . 10.0 110.888 172.84 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 43.9 mt-10 -134.5 77.91 1.72 Allowed 'General case' 0 CA--C 1.54 0.581 0 C-N-CA 126.095 1.758 . . . . 10.0 110.302 -175.497 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . -72.44 -28.59 67.45 Favored Glycine 0 CA--C 1.536 1.375 0 C-N-CA 124.902 1.239 . . . . 10.0 114.772 -176.592 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 45' ' ' CYS . . . . . . . . . . . . . 63.2 m -53.45 116.37 2.42 Favored 'General case' 0 CA--C 1.543 0.692 0 C-N-CA 126.437 1.895 . . . . 10.0 113.39 -175.015 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 51.4 m -132.26 -61.9 0.85 Allowed 'General case' 0 N--CA 1.475 0.781 0 C-N-CA 125.801 1.64 . . . . 10.0 111.788 -179.418 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 10.6 pt-20 -152.6 164.77 37.02 Favored 'General case' 0 N--CA 1.473 0.689 0 C-N-CA 126.328 1.851 . . . . 10.0 111.462 -179.36 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -51.66 -29.96 19.96 Favored 'General case' 0 CA--C 1.547 0.856 0 N-CA-C 115.67 1.73 . . . . 10.0 115.67 -175.781 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 70.6 m-20 -59.21 -30.74 68.45 Favored 'General case' 0 CA--C 1.546 0.795 0 C-N-CA 124.398 1.079 . . . . 10.0 113.059 173.594 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . 61.1 t -75.91 91.6 0.87 Allowed 'Isoleucine or valine' 0 N--CA 1.472 0.653 0 N-CA-C 107.886 -1.153 . . . . 10.0 107.886 169.423 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 69.4 p -72.29 177.86 4.27 Favored 'General case' 0 N--CA 1.474 0.756 0 C-N-CA 125.087 1.355 . . . . 10.0 111.956 173.897 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 60.4 tttm -59.29 -52.98 63.32 Favored 'General case' 0 N--CA 1.472 0.665 0 O-C-N 121.161 -0.962 . . . . 10.0 111.15 169.568 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 45.0 mt-10 -51.24 -47.11 62.48 Favored 'General case' 0 N--CA 1.474 0.771 0 C-N-CA 124.117 0.967 . . . . 10.0 112.258 176.677 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 54' ' ' MET . . . . . . . . . . . . . 87.4 mmm -54.97 -55.02 35.37 Favored 'General case' 0 N--CA 1.468 0.431 0 C-N-CA 124.239 1.015 . . . . 10.0 112.391 170.522 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 8.6 tt -58.92 -51.55 69.58 Favored 'General case' 0 CA--C 1.534 0.346 0 C-N-CA 123.73 0.812 . . . . 10.0 112.913 -178.202 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 21.8 t -57.71 -48.31 83.76 Favored 'Isoleucine or valine' 0 N--CA 1.479 0.994 0 CA-C-N 119.62 1.1 . . . . 10.0 110.897 -179.486 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 57' ' ' THR . . . . . . . . . . . . . 56.7 m -57.93 -51.23 70.49 Favored 'General case' 0 N--CA 1.476 0.855 0 C-N-CA 124.38 1.072 . . . . 10.0 111.763 175.097 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 45.0 m -60.62 -40.79 93.2 Favored 'General case' 0 N--CA 1.472 0.673 0 C-N-CA 124.573 1.149 . . . . 10.0 112.421 178.612 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 59' ' ' CYS . . . . . . . . . . . . . 40.9 t -59.22 -50.43 74.06 Favored 'General case' 0 CA--C 1.534 0.359 0 C-N-CA 126.201 1.8 . . . . 10.0 112.362 173.501 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 60' ' ' VAL . . . . . . . . . . . . . 43.1 t -54.59 -48.25 71.13 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.966 0 C-N-CA 124.153 0.981 . . . . 10.0 111.523 172.224 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 61' ' ' ASN . . . . . . . . . . . . . 16.7 m-80 -58.98 -46.49 87.99 Favored 'General case' 0 CA--C 1.546 0.79 0 C-N-CA 124.652 1.181 . . . . 10.0 113.176 175.069 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -60.43 -47.01 87.97 Favored 'General case' 0 CA--C 1.539 0.526 0 C-N-CA 124.238 1.015 . . . . 10.0 111.26 174.84 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 63' ' ' THR . . . . . . . . . . . . . 38.4 m -55.56 -47.81 75.78 Favored 'General case' 0 N--CA 1.471 0.598 0 C-N-CA 125.676 1.59 . . . . 10.0 111.709 177.002 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 64' ' ' GLN . . . . . . . . . . . . . 62.9 mt-30 -49.84 -59.63 3.66 Favored 'General case' 0 N--CA 1.469 0.513 0 C-N-CA 124.362 1.065 . . . . 10.0 112.052 170.966 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -56.99 -45.79 82.7 Favored 'General case' 0 CA--C 1.544 0.75 0 C-N-CA 125.551 1.54 . . . . 10.0 113.787 -178.799 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -68.35 -35.67 78.09 Favored 'General case' 0 CA--C 1.544 0.722 0 C-N-CA 125.172 1.389 . . . . 10.0 114.257 -179.002 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 67' ' ' ASN . . . . . . . . . . . . . 12.8 m-80 -121.31 39.25 3.88 Favored 'General case' 0 N--CA 1.474 0.746 0 C-N-CA 124.26 1.024 . . . . 10.0 113.074 -169.715 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 68' ' ' GLN . . . . . . . . . . . . . 64.2 mt-30 -52.18 -50.42 61.88 Favored 'General case' 0 N--CA 1.473 0.716 0 C-N-CA 125.248 1.419 . . . . 10.0 112.624 -178.987 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -56.31 -43.32 78.85 Favored 'General case' 0 CA--C 1.544 0.738 0 C-N-CA 125.115 1.366 . . . . 10.0 113.362 178.316 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 23.0 mm-40 -57.34 -51.16 70.49 Favored 'General case' 0 N--CA 1.471 0.603 0 C-N-CA 125.361 1.465 . . . . 10.0 111.735 178.906 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 71' ' ' PHE . . . . . . . . . . . . . 34.5 m-85 -64.19 -49.76 70.76 Favored 'General case' 0 CA--C 1.536 0.436 0 C-N-CA 124.203 1.001 . . . . 10.0 112.219 174.448 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 71.6 m -52.84 -55.11 25.47 Favored 'General case' 0 N--CA 1.472 0.63 0 C-N-CA 125.306 1.442 . . . . 10.0 113.558 -173.413 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 73' ' ' ARG . . . . . . . . . . . . . 31.1 ptt-85 -59.52 -45.58 91.32 Favored 'General case' 0 N--CA 1.479 0.994 0 N-CA-C 113.369 0.877 . . . . 10.0 113.369 -177.135 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 33.8 mm-40 -61.09 -54.05 49.48 Favored 'General case' 0 N--CA 1.469 0.52 0 C-N-CA 124.959 1.304 . . . . 10.0 111.68 176.362 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 86.1 tttt -49.53 -28.72 5.83 Favored 'General case' 0 N--CA 1.477 0.9 0 C-N-CA 127.134 2.174 . . . . 10.0 115.053 -178.178 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 76' ' ' GLN . . . . . . . . . . . . . 70.8 mm-40 -56.44 -33.76 66.18 Favored 'General case' 0 N--CA 1.475 0.816 0 N-CA-C 113.783 1.031 . . . . 10.0 113.783 175.6 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 32.0 t70 -132.93 -40.92 0.93 Allowed 'General case' 0 N--CA 1.474 0.727 0 C-N-CA 125.439 1.495 . . . . 10.0 113.521 -171.439 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 4.9 t -64.25 151.12 44.47 Favored 'General case' 0 CA--C 1.536 0.42 0 C-N-CA 125.453 1.501 . . . . 10.0 113.569 -178.476 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 59.3 mtmt -120.73 -67.69 0.96 Allowed 'General case' 0 N--CA 1.474 0.76 0 C-N-CA 126.138 1.775 . . . . 10.0 110.564 171.209 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 48.5 tp -60.41 -45.37 93.84 Favored 'General case' 0 CA--C 1.537 0.474 0 C-N-CA 125.331 1.453 . . . . 10.0 113.308 -176.561 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 81' ' ' HIS . . . . . . . . . . . . . 14.7 t-160 -51.12 -50.73 58.26 Favored 'General case' 0 N--CA 1.474 0.771 0 CA-C-N 119.168 0.894 . . . . 10.0 111.662 -173.947 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 82' ' ' GLN . . . . . . . . . . . . . 17.9 mm100 -51.52 -50.5 59.87 Favored 'General case' 0 CA--C 1.539 0.545 0 C-N-CA 124.574 1.15 . . . . 10.0 112.609 179.066 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 83' ' ' ARG . . . . . . . . . . . . . 10.4 mpt_? -58.8 -53.87 53.54 Favored 'General case' 0 N--CA 1.48 1.038 0 C-N-CA 124.39 1.076 . . . . 10.0 111.699 179.71 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 84' ' ' VAL . . . . . . . . . . . . . 29.6 t -57.21 -49.78 78.71 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.876 0 C-N-CA 125.2 1.4 . . . . 10.0 110.649 176.981 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 85' ' ' LEU . . . . . . . . . . . . . 45.3 tp -56.75 -47.99 78.83 Favored 'General case' 0 CA--C 1.537 0.468 0 C-N-CA 126.481 1.912 . . . . 10.0 112.646 177.594 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 86' ' ' TRP . . . . . . . . . . . . . 52.5 m95 -61.31 -44.08 97.81 Favored 'General case' 0 N--CA 1.468 0.461 0 N-CA-C 113.787 1.032 . . . . 10.0 113.787 174.919 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 87' ' ' ARG . . . . . . . . . . . . . 14.6 tpt180 -57.18 -51.59 68.7 Favored 'General case' 0 N--CA 1.474 0.768 0 CA-C-N 118.764 0.711 . . . . 10.0 111.565 171.338 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 88' ' ' LEU . . . . . . . . . . . . . 2.3 tm? -51.7 -51.97 51.95 Favored 'General case' 0 CA--C 1.544 0.726 0 C-N-CA 126.299 1.84 . . . . 10.0 111.866 174.906 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 89' ' ' ILE . . . . . . . . . . . . . 65.6 mt -53.34 -53.82 21.68 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.738 0 C-N-CA 124.735 1.214 . . . . 10.0 110.936 172.907 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 36.6 ttpt -57.42 -45.91 84.08 Favored 'General case' 0 N--CA 1.473 0.678 0 C-N-CA 124.426 1.09 . . . . 10.0 113.225 179.762 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 66.8 mm-40 -52.28 -50.79 61.44 Favored 'General case' 0 N--CA 1.472 0.662 0 C-N-CA 124.277 1.031 . . . . 10.0 112.005 172.05 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 92' ' ' ILE . . . . . . . . . . . . . 98.2 mt -60.22 -50.2 81.15 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.96 0 C-N-CA 123.771 0.828 . . . . 10.0 111.71 174.634 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 93' ' ' CYS . . . . . . . . . . . . . 65.1 m -55.71 -39.05 70.53 Favored 'General case' 0 CA--C 1.545 0.762 0 C-N-CA 124.659 1.183 . . . . 10.0 112.603 176.544 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 66.3 m -66.7 -42.09 86.98 Favored 'General case' 0 N--CA 1.475 0.798 0 C-N-CA 125.903 1.681 . . . . 10.0 113.401 171.271 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . -61.27 -47.87 84.01 Favored 'General case' 0 CA--C 1.543 0.691 0 C-N-CA 125.55 1.54 . . . . 10.0 113.357 -176.28 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 96' ' ' LYS . . . . . . . . . . . . . 1.8 ptpm? -60.48 139.49 57.71 Favored 'General case' 0 N--CA 1.48 1.029 0 C-N-CA 123.876 0.87 . . . . 10.0 111.334 171.133 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 97' ' ' HIS . . . . . . . . . . . . . 1.9 m-70 -138.07 165.69 25.96 Favored 'General case' 0 N--CA 1.479 1.024 0 C-N-CA 126.314 1.846 . . . . 10.0 112.364 -172.484 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 98' ' ' CYS . . . . . . . . . . . . . 35.2 m -113.68 137.23 51.9 Favored 'General case' 0 N--CA 1.469 0.496 0 C-N-CA 125.236 1.415 . . . . 10.0 112.041 174.377 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 99' ' ' ASP . . . . . . . . . . . . . 32.5 t70 -61.04 -40.27 92.98 Favored 'General case' 0 CA--C 1.543 0.698 0 C-N-CA 124.999 1.319 . . . . 10.0 113.174 179.664 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 100' ' ' PHE . . . . . . . . . . . . . 8.8 p90 -68.9 -11.93 61.09 Favored 'General case' 0 CA--C 1.544 0.725 0 N-CA-C 115.396 1.628 . . . . 10.0 115.396 -176.418 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 101' ' ' TRP . . . . . . . . . . . . . 38.4 m0 . . . . . 0 N--CA 1.473 0.707 0 CA-C-N 119.881 1.219 . . . . 10.0 112.766 -178.482 . . . . . . . . 0 0 . 1 . 012 nuclear nobuild core ' A' A ' 5' ' ' ASN . . . . . . . . . . . . . 17.3 t-20 . . . . . 0 CA--C 1.545 0.787 0 CA-C-O 121.877 0.846 . . . . 10.0 109.545 . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild core ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -125.22 159.62 58.77 Favored Pre-proline 0 N--CA 1.477 0.919 0 C-N-CA 127.52 2.328 . . . . 10.0 111.805 178.97 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 7' ' ' PRO . . . . . . . . . . . . . 75.8 Cg_exo -45.01 120.87 3.18 Favored 'Trans proline' 0 CA--C 1.537 0.67 0 C-N-CA 124.015 3.143 . . . . 10.0 113.522 179.162 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . 116.97 -23.49 9.95 Favored Glycine 0 CA--C 1.538 1.512 0 C-N-CA 127.623 2.535 . . . . 10.0 114.122 -170.395 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -60.09 132.59 54.42 Favored 'General case' 0 CA--C 1.546 0.818 0 CA-C-N 119.473 1.637 . . . . 10.0 112.96 -172.27 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 10' ' ' PHE . . . . . . . . . . . . . 23.2 m-85 -61.49 151.45 32.79 Favored 'General case' 0 CA--C 1.542 0.661 0 O-C-N 121.464 -0.773 . . . . 10.0 112.917 175.242 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 70.9 mt -120.52 97.84 5.5 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.492 0 C-N-CA 126.166 1.786 . . . . 10.0 106.304 169.385 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 60.2 mtpt -96.29 84.67 3.79 Favored 'General case' 0 N--CA 1.473 0.709 0 C-N-CA 125.522 1.529 . . . . 10.0 110.542 -172.766 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 26.8 mt-30 -76.65 -26.71 55.15 Favored 'General case' 0 CA--C 1.541 0.601 0 C-N-CA 124.067 0.947 . . . . 10.0 111.652 171.225 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . 80.31 11.58 84.1 Favored Glycine 0 CA--C 1.536 1.399 0 C-N-CA 125.053 1.311 . . . . 10.0 114.16 179.977 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 45.6 ttp180 -69.59 129.85 40.8 Favored 'General case' 0 N--CA 1.47 0.55 0 C-N-CA 127.108 2.163 . . . . 10.0 110.992 177.741 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 53.1 tttm -69.85 120.53 15.73 Favored 'General case' 0 N--CA 1.473 0.678 0 C-N-CA 123.94 0.896 . . . . 10.0 110.64 171.878 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 75.4 mt -90.02 -179.93 5.8 Favored 'General case' 0 CA--C 1.546 0.815 0 C-N-CA 126.425 1.89 . . . . 10.0 111.806 175.478 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 20.2 t0 -132.13 95.33 3.64 Favored 'General case' 0 CA--C 1.541 0.614 0 C-N-CA 125.718 1.607 . . . . 10.0 110.368 175.442 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . 59.3 mt -134.43 132.12 54.85 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.715 0 C-N-CA 127.455 2.302 . . . . 10.0 108.124 -175.06 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 23.6 t0 -89.3 84.45 6.48 Favored 'General case' 0 CA--C 1.539 0.526 0 CA-C-O 121.981 0.896 . . . . 10.0 110.748 172.952 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 21' ' ' PHE . . . . . . . . . . . . . 54.0 m-85 -61.77 -42.64 99.24 Favored 'General case' 0 CA--C 1.541 0.607 0 C-N-CA 126.656 1.982 . . . . 10.0 111.509 171.09 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 132.2 152.37 7.06 Favored Glycine 0 CA--C 1.533 1.166 0 C-N-CA 128.257 2.837 . . . . 10.0 109.61 -169.786 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -41.05 -51.77 3.28 Favored 'General case' 0 CA--C 1.548 0.875 0 N-CA-C 116.071 1.878 . . . . 10.0 116.071 -169.624 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 37.9 tt0 -63.11 -50.3 71.04 Favored 'General case' 0 N--CA 1.475 0.811 0 C-N-CA 125.237 1.415 . . . . 10.0 112.802 176.758 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -66.27 -37.06 92.56 Favored Glycine 0 CA--C 1.535 1.3 0 C-N-CA 124.867 1.223 . . . . 10.0 114.262 178.451 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 83.9 m-20 -56.35 -51.29 68.82 Favored 'General case' 0 CA--C 1.536 0.417 0 C-N-CA 126.045 1.738 . . . . 10.0 110.433 174.58 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 87.5 mtm180 -59.93 -44.96 94.04 Favored 'General case' 0 N--CA 1.474 0.734 0 C-N-CA 125.08 1.352 . . . . 10.0 111.763 176.292 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 28' ' ' TYR . . . . . . . . . . . . . 77.9 t80 -58.88 -53.69 55.57 Favored 'General case' 0 CA--C 1.536 0.43 0 C-N-CA 123.603 0.761 . . . . 10.0 112.346 176.05 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 29' ' ' TYR . . . . . . . . . . . . . 77.4 t80 -56.44 -51.87 66.8 Favored 'General case' 0 CA--C 1.537 0.448 0 C-N-CA 124.13 0.972 . . . . 10.0 112.251 177.145 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -49.61 -36.71 25.12 Favored 'General case' 0 CA--C 1.546 0.81 0 C-N-CA 124.38 1.072 . . . . 10.0 113.866 176.858 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -86.56 -21.97 26.58 Favored 'General case' 0 CA--C 1.552 1.039 0 N-CA-C 115.235 1.568 . . . . 10.0 115.235 177.037 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 32' ' ' ASN . . . . . . . . . . . . . 55.7 m-80 -130.63 11.53 5.27 Favored 'General case' 0 N--CA 1.477 0.903 0 N-CA-C 116.435 2.013 . . . . 10.0 116.435 -169.24 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 33' ' ' TYR . . . . . . . . . . . . . 44.8 p90 -50.4 -31.22 14.29 Favored 'General case' 0 N--CA 1.476 0.855 0 C-N-CA 125.786 1.634 . . . . 10.0 115.194 -175.218 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 34' ' ' TRP . . . . . . . . . . . . . 65.5 p-90 -50.84 -33.85 25.41 Favored 'General case' 0 CA--C 1.545 0.776 0 C-N-CA 126.181 1.793 . . . . 10.0 114.402 175.007 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 32.8 mt-30 -68.89 -35.98 77.51 Favored 'General case' 0 N--CA 1.474 0.759 0 C-N-CA 124.42 1.088 . . . . 10.0 113.667 177.742 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 36' ' ' PHE . . . . . . . . . . . . . 64.5 m-85 -75.44 157.07 84.96 Favored Pre-proline 0 CA--C 1.545 0.766 0 C-N-CA 126.456 1.903 . . . . 10.0 113.872 -169.581 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 59.7 Cg_endo -73.49 160.79 43.77 Favored 'Trans proline' 0 CA--C 1.541 0.848 0 C-N-CA 123.039 2.493 . . . . 10.0 110.95 169.616 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 7.4 t70 -112.54 -36.13 5.33 Favored 'General case' 0 N--CA 1.475 0.782 0 C-N-CA 125.283 1.433 . . . . 10.0 111.061 172.986 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . -130.66 174.25 19.84 Favored Glycine 0 CA--C 1.534 1.239 0 C-N-CA 126.034 1.778 . . . . 10.0 111.621 169.651 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 40' ' ' ILE . . . . . . . . . . . . . 97.3 mt -138.23 126.01 29.34 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.691 0 C-N-CA 125.284 1.434 . . . . 10.0 108.342 175.178 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 41' ' ' TYR . . . . . . . . . . . . . 90.9 t80 -73.48 109.7 7.2 Favored 'General case' 0 CA--C 1.536 0.418 0 C-N-CA 125.275 1.43 . . . . 10.0 109.835 171.409 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 42' ' ' TYR . . . . . . . . . . . . . 49.4 t80 -151.54 149.83 29.65 Favored 'General case' 0 N--CA 1.474 0.733 0 CA-C-N 119.167 0.894 . . . . 10.0 112.385 -179.48 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 51.5 mt-10 -135.29 71.22 1.43 Allowed 'General case' 0 N--CA 1.474 0.741 0 C-N-CA 126.034 1.734 . . . . 10.0 110.81 -175.684 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . -79.51 -57.22 3.17 Favored Glycine 0 CA--C 1.532 1.116 0 C-N-CA 124.847 1.213 . . . . 10.0 113.564 -178.742 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 45' ' ' CYS . . . . . . . . . . . . . 25.0 m -62.52 142.25 58.04 Favored 'General case' 0 CA--C 1.541 0.627 0 C-N-CA 125.48 1.512 . . . . 10.0 114.029 -178.203 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 24.8 t -146.55 -52.52 0.23 Allowed 'General case' 0 N--CA 1.472 0.651 0 C-N-CA 126.273 1.829 . . . . 10.0 111.45 178.915 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 10.8 pt-20 -141.88 162.77 34.65 Favored 'General case' 0 CA--C 1.542 0.659 0 C-N-CA 126.253 1.821 . . . . 10.0 112.106 -179.441 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -52.49 -25.01 9.06 Favored 'General case' 0 CA--C 1.546 0.79 0 C-N-CA 126.503 1.921 . . . . 10.0 116.096 -174.309 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 68.2 m-20 -61.14 -32.13 71.84 Favored 'General case' 0 CA--C 1.546 0.813 0 C-N-CA 124.162 0.985 . . . . 10.0 113.331 172.535 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . 48.0 t -73.02 124.32 29.7 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.861 0 C-N-CA 124.762 1.225 . . . . 10.0 110.166 173.117 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 82.6 p -113.31 176.7 4.91 Favored 'General case' 0 N--CA 1.478 0.966 0 C-N-CA 125.775 1.63 . . . . 10.0 112.254 -177.733 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 84.3 tttt -58.69 -54.66 44.52 Favored 'General case' 0 N--CA 1.473 0.7 0 O-C-N 121.316 -0.865 . . . . 10.0 111.97 173.358 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 12.3 pt-20 -54.13 -37.44 64.36 Favored 'General case' 0 N--CA 1.474 0.742 0 N-CA-C 112.88 0.696 . . . . 10.0 112.88 179.306 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 54' ' ' MET . . . . . . . . . . . . . 93.7 mtp -62.61 -56.72 15.23 Favored 'General case' 0 CA--C 1.538 0.496 0 C-N-CA 123.211 0.605 . . . . 10.0 111.109 169.445 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 8.3 tt -54.98 -52.83 61.88 Favored 'General case' 0 CA--C 1.535 0.38 0 C-N-CA 124.989 1.315 . . . . 10.0 113.367 -177.124 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 43.6 t -59.69 -52.02 65.93 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.965 0 CA-C-N 119.504 1.047 . . . . 10.0 111.523 -173.24 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 57' ' ' THR . . . . . . . . . . . . . 87.8 m -59.67 -48.17 82.73 Favored 'General case' 0 N--CA 1.475 0.779 0 C-N-CA 124.431 1.092 . . . . 10.0 111.936 174.614 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 42.0 m -61.47 -38.86 88.77 Favored 'General case' 0 N--CA 1.474 0.729 0 C-N-CA 123.544 0.737 . . . . 10.0 112.773 178.388 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 59' ' ' CYS . . . . . . . . . . . . . 36.7 t -59.12 -50.07 75.46 Favored 'General case' 0 CA--C 1.535 0.403 0 C-N-CA 126.598 1.959 . . . . 10.0 112.231 172.898 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 60' ' ' VAL . . . . . . . . . . . . . 41.6 t -54.67 -49.52 67.18 Favored 'Isoleucine or valine' 0 N--CA 1.479 1.004 0 C-N-CA 124.013 0.925 . . . . 10.0 111.511 171.663 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 61' ' ' ASN . . . . . . . . . . . . . 16.9 m-80 -58.53 -45.3 89.14 Favored 'General case' 0 CA--C 1.544 0.746 0 C-N-CA 124.513 1.125 . . . . 10.0 113.146 175.795 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -61.69 -45.51 93.68 Favored 'General case' 0 CA--C 1.537 0.477 0 C-N-CA 124.093 0.957 . . . . 10.0 111.537 174.855 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 63' ' ' THR . . . . . . . . . . . . . 31.4 m -55.23 -49.13 72.76 Favored 'General case' 0 N--CA 1.472 0.654 0 C-N-CA 125.362 1.465 . . . . 10.0 111.547 176.112 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 64' ' ' GLN . . . . . . . . . . . . . 77.2 mt-30 -49.92 -59.65 3.66 Favored 'General case' 0 CA--C 1.539 0.529 0 C-N-CA 124.732 1.213 . . . . 10.0 111.836 171.0 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -56.3 -40.28 74.07 Favored 'General case' 0 CA--C 1.546 0.813 0 C-N-CA 125.685 1.594 . . . . 10.0 114.153 -179.707 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -71.59 -43.93 65.37 Favored 'General case' 0 CA--C 1.543 0.677 0 C-N-CA 125.3 1.44 . . . . 10.0 114.222 -179.816 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 67' ' ' ASN . . . . . . . . . . . . . 9.3 m-80 -113.38 39.52 2.59 Favored 'General case' 0 CA--C 1.545 0.781 0 C-N-CA 124.509 1.124 . . . . 10.0 112.288 -169.668 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 68' ' ' GLN . . . . . . . . . . . . . 16.9 mm-40 -51.05 -50.53 58.46 Favored 'General case' 0 N--CA 1.473 0.721 0 C-N-CA 126.224 1.809 . . . . 10.0 113.636 -174.189 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -54.28 -48.52 71.15 Favored 'General case' 0 CA--C 1.542 0.645 0 C-N-CA 124.909 1.284 . . . . 10.0 113.074 -177.792 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 16.4 mm-40 -55.63 -55.15 35.42 Favored 'General case' 0 N--CA 1.471 0.619 0 C-N-CA 124.887 1.275 . . . . 10.0 111.307 179.209 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 71' ' ' PHE . . . . . . . . . . . . . 33.2 m-85 -59.21 -49.42 77.93 Favored 'General case' 0 CA--C 1.535 0.385 0 C-N-CA 123.923 0.889 . . . . 10.0 112.264 176.147 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 70.7 m -53.95 -48.32 70.39 Favored 'General case' 0 N--CA 1.473 0.718 0 C-N-CA 125.127 1.371 . . . . 10.0 112.88 -178.92 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 73' ' ' ARG . . . . . . . . . . . . . 89.4 mmt-85 -63.47 -52.12 62.73 Favored 'General case' 0 N--CA 1.474 0.774 0 C-N-CA 124.564 1.145 . . . . 10.0 112.326 176.089 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 37.1 mm-40 -65.9 -59.41 3.88 Favored 'General case' 0 N--CA 1.472 0.629 0 C-N-CA 124.229 1.012 . . . . 10.0 113.573 -176.735 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 23.1 ttmm -43.95 -40.02 4.39 Favored 'General case' 0 N--CA 1.481 1.112 0 C-N-CA 127.896 2.478 . . . . 10.0 115.147 -169.84 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 76' ' ' GLN . . . . . . . . . . . . . 95.7 mm-40 -53.78 -33.55 56.26 Favored 'General case' 0 CA--C 1.546 0.796 0 C-N-CA 125.713 1.605 . . . . 10.0 114.343 179.156 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 31.8 t70 -135.49 -35.04 0.82 Allowed 'General case' 0 N--CA 1.476 0.865 0 C-N-CA 125.039 1.336 . . . . 10.0 114.034 -172.715 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -77.38 63.44 2.56 Favored 'General case' 0 CA--C 1.543 0.688 0 C-N-CA 127.316 2.246 . . . . 10.0 112.578 -173.521 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 88.3 tttt -49.74 -62.28 1.65 Allowed 'General case' 0 N--CA 1.475 0.796 0 C-N-CA 127.704 2.402 . . . . 10.0 113.206 -171.934 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 39.7 tp -63.32 -44.82 93.87 Favored 'General case' 0 CA--C 1.536 0.441 0 C-N-CA 124.671 1.189 . . . . 10.0 112.166 -179.576 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 81' ' ' HIS . . . . . . . . . . . . . 16.3 t-160 -50.86 -48.22 60.17 Favored 'General case' 0 N--CA 1.471 0.603 0 C-N-CA 123.763 0.825 . . . . 10.0 112.019 -177.927 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 82' ' ' GLN . . . . . . . . . . . . . 84.0 mm-40 -47.88 -55.69 9.26 Favored 'General case' 0 N--CA 1.471 0.624 0 C-N-CA 124.207 1.003 . . . . 10.0 112.638 175.955 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 83' ' ' ARG . . . . . . . . . . . . . 10.6 mpt_? -54.48 -53.95 47.46 Favored 'General case' 0 N--CA 1.48 1.042 0 C-N-CA 124.435 1.094 . . . . 10.0 111.568 -178.553 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 84' ' ' VAL . . . . . . . . . . . . . 16.3 t -59.91 -49.98 81.85 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.772 0 C-N-CA 125.372 1.469 . . . . 10.0 111.101 178.682 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 85' ' ' LEU . . . . . . . . . . . . . 48.1 tp -60.49 -47.25 86.95 Favored 'General case' 0 N--CA 1.47 0.53 0 C-N-CA 126.089 1.756 . . . . 10.0 113.092 179.881 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 86' ' ' TRP . . . . . . . . . . . . . 68.9 m95 -60.7 -41.89 96.08 Favored 'General case' 0 N--CA 1.468 0.425 0 O-C-N 121.431 -0.793 . . . . 10.0 112.869 174.748 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 87' ' ' ARG . . . . . . . . . . . . . 14.8 tpt180 -58.33 -47.5 83.56 Favored 'General case' 0 N--CA 1.472 0.657 0 CA-C-O 118.571 -0.728 . . . . 10.0 111.636 169.748 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 88' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -50.96 -56.39 12.63 Favored 'General case' 0 N--CA 1.474 0.754 0 C-N-CA 125.363 1.465 . . . . 10.0 111.705 174.518 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 89' ' ' ILE . . . . . . . . . . . . . 81.4 mt -54.42 -51.18 51.68 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.539 0 C-N-CA 125.743 1.617 . . . . 10.0 110.796 176.29 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 40.4 ttmt -58.22 -46.07 86.55 Favored 'General case' 0 N--CA 1.472 0.671 0 C-N-CA 124.665 1.186 . . . . 10.0 113.164 177.744 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 68.5 mm-40 -52.52 -51.92 57.16 Favored 'General case' 0 N--CA 1.471 0.608 0 CA-C-N 119.526 1.057 . . . . 10.0 111.57 172.007 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 92' ' ' ILE . . . . . . . . . . . . . 96.7 mt -55.85 -54.46 26.26 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.948 0 C-N-CA 123.906 0.882 . . . . 10.0 111.474 174.581 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 93' ' ' CYS . . . . . . . . . . . . . 84.3 m -56.99 -43.75 82.04 Favored 'General case' 0 CA--C 1.547 0.85 0 C-N-CA 124.742 1.217 . . . . 10.0 112.642 -179.797 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 21.9 t -64.4 -45.37 87.9 Favored 'General case' 0 N--CA 1.475 0.784 0 C-N-CA 126.118 1.767 . . . . 10.0 113.561 174.208 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . -58.76 -49.48 77.47 Favored 'General case' 0 CA--C 1.541 0.634 0 C-N-CA 125.364 1.466 . . . . 10.0 113.67 -174.442 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 96' ' ' LYS . . . . . . . . . . . . . 18.8 ptpt -61.77 139.19 58.36 Favored 'General case' 0 N--CA 1.477 0.904 0 C-N-CA 124.3 1.04 . . . . 10.0 112.373 177.34 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 97' ' ' HIS . . . . . . . . . . . . . 2.9 m-70 -134.21 170.1 16.19 Favored 'General case' 0 N--CA 1.478 0.928 0 C-N-CA 126.523 1.929 . . . . 10.0 111.405 -178.481 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 98' ' ' CYS . . . . . . . . . . . . . 56.3 m -125.01 137.96 54.23 Favored 'General case' 0 N--CA 1.47 0.536 0 C-N-CA 125.009 1.324 . . . . 10.0 112.397 -174.545 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 99' ' ' ASP . . . . . . . . . . . . . 31.8 t70 -57.03 -44.89 83.33 Favored 'General case' 0 N--CA 1.472 0.66 0 C-N-CA 125.658 1.583 . . . . 10.0 113.8 -172.883 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 100' ' ' PHE . . . . . . . . . . . . . 9.0 p90 -71.95 -11.93 61.01 Favored 'General case' 0 CA--C 1.544 0.742 0 N-CA-C 115.166 1.543 . . . . 10.0 115.166 -176.065 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 101' ' ' TRP . . . . . . . . . . . . . 40.6 m0 . . . . . 0 N--CA 1.474 0.74 0 CA-C-N 119.915 1.234 . . . . 10.0 112.247 -179.422 . . . . . . . . 0 0 . 1 . 013 nuclear nobuild core ' A' A ' 5' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER . . . . . 0 CA--C 1.552 1.043 0 CA-C-O 122.232 1.015 . . . . 10.0 110.424 . . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 6.4 ptp180 -77.34 159.55 77.37 Favored Pre-proline 0 CA--C 1.543 0.702 0 C-N-CA 127.811 2.444 . . . . 10.0 111.342 178.384 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 7' ' ' PRO . . . . . . . . . . . . . 20.4 Cg_endo -55.69 120.94 9.08 Favored 'Trans proline' 0 CA--C 1.539 0.729 0 C-N-CA 122.618 2.212 . . . . 10.0 111.149 177.26 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . 118.96 -20.93 9.71 Favored Glycine 0 CA--C 1.539 1.555 0 C-N-CA 127.851 2.643 . . . . 10.0 113.418 -169.63 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -59.32 133.32 55.99 Favored 'General case' 0 CA--C 1.545 0.779 0 CA-C-N 119.433 1.616 . . . . 10.0 113.493 -171.072 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 10' ' ' PHE . . . . . . . . . . . . . 19.7 m-30 -58.35 141.25 51.81 Favored 'General case' 0 CA--C 1.541 0.631 0 C-N-CA 124.074 0.95 . . . . 10.0 111.929 170.775 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 55.6 mt -112.71 96.39 4.64 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.538 0 C-N-CA 125.643 1.577 . . . . 10.0 107.006 169.835 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 55.9 mtmt -92.47 118.46 30.99 Favored 'General case' 0 N--CA 1.472 0.656 0 C-N-CA 125.46 1.504 . . . . 10.0 110.245 -178.55 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 73.3 mt-30 -121.02 -43.61 2.44 Favored 'General case' 0 CA--C 1.539 0.546 0 C-N-CA 127.819 2.448 . . . . 10.0 111.526 -171.465 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . 85.21 55.22 2.66 Favored Glycine 0 CA--C 1.532 1.152 0 C-N-CA 125.968 1.747 . . . . 10.0 111.638 -171.055 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 51.3 ttm-85 -122.1 77.0 1.34 Allowed 'General case' 0 N--CA 1.471 0.584 0 C-N-CA 126.874 2.069 . . . . 10.0 109.269 -175.43 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 76.1 tttt -46.26 105.77 0.07 Allowed 'General case' 0 N--CA 1.475 0.793 0 C-N-CA 127.884 2.473 . . . . 10.0 112.752 -169.844 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 89.9 mt -77.63 171.79 14.39 Favored 'General case' 0 CA--C 1.543 0.679 0 C-N-CA 126.17 1.788 . . . . 10.0 112.878 -172.077 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 19.5 t0 -121.98 90.4 3.3 Favored 'General case' 0 CA--C 1.541 0.609 0 C-N-CA 125.898 1.679 . . . . 10.0 110.286 174.805 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . 74.8 mt -132.03 125.76 55.34 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.651 0 C-N-CA 127.355 2.262 . . . . 10.0 107.517 -179.78 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 24.6 t0 -83.76 83.69 7.83 Favored 'General case' 0 N--CA 1.469 0.516 0 CA-C-O 121.916 0.865 . . . . 10.0 110.432 172.143 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 21' ' ' PHE . . . . . . . . . . . . . 89.2 m-85 -60.95 -41.47 96.34 Favored 'General case' 0 CA--C 1.539 0.54 0 C-N-CA 126.487 1.915 . . . . 10.0 111.82 172.539 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 127.31 162.55 11.18 Favored Glycine 0 CA--C 1.533 1.216 0 C-N-CA 127.578 2.513 . . . . 10.0 110.469 -169.663 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -43.98 -54.86 5.05 Favored 'General case' 0 CA--C 1.546 0.812 0 N-CA-C 115.33 1.604 . . . . 10.0 115.33 -169.892 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 58.1 mt-10 -60.87 -52.13 66.36 Favored 'General case' 0 N--CA 1.474 0.736 0 C-N-CA 124.089 0.956 . . . . 10.0 111.864 177.809 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -66.97 -38.19 92.64 Favored Glycine 0 CA--C 1.528 0.849 0 C-N-CA 124.539 1.066 . . . . 10.0 114.149 -175.719 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 90.4 m-20 -56.61 -50.77 71.02 Favored 'General case' 0 CA--C 1.536 0.404 0 C-N-CA 125.485 1.514 . . . . 10.0 110.315 172.839 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 99.4 mtt180 -62.86 -47.26 84.11 Favored 'General case' 0 N--CA 1.475 0.82 0 C-N-CA 124.599 1.16 . . . . 10.0 111.395 177.938 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 28' ' ' TYR . . . . . . . . . . . . . 77.2 t80 -58.11 -53.59 56.5 Favored 'General case' 0 CA--C 1.538 0.507 0 C-N-CA 124.725 1.21 . . . . 10.0 112.296 177.731 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 29' ' ' TYR . . . . . . . . . . . . . 81.8 t80 -57.13 -51.43 69.33 Favored 'General case' 0 CA--C 1.535 0.382 0 C-N-CA 124.763 1.225 . . . . 10.0 112.153 175.846 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -50.28 -35.29 26.64 Favored 'General case' 0 CA--C 1.546 0.807 0 N-CA-C 113.794 1.035 . . . . 10.0 113.794 178.005 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -86.08 -29.76 23.12 Favored 'General case' 0 CA--C 1.552 1.032 0 C-N-CA 125.681 1.593 . . . . 10.0 115.118 175.739 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 32' ' ' ASN . . . . . . . . . . . . . 55.5 m-80 -123.61 10.9 9.12 Favored 'General case' 0 CA--C 1.548 0.891 0 N-CA-C 116.541 2.052 . . . . 10.0 116.541 -169.036 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 33' ' ' TYR . . . . . . . . . . . . . 45.9 p90 -48.05 -34.05 8.97 Favored 'General case' 0 N--CA 1.478 0.936 0 C-N-CA 126.448 1.899 . . . . 10.0 115.059 -176.602 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 34' ' ' TRP . . . . . . . . . . . . . 63.7 p-90 -50.14 -33.91 20.54 Favored 'General case' 0 CA--C 1.546 0.813 0 C-N-CA 126.017 1.727 . . . . 10.0 114.521 174.306 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 29.9 mt-30 -70.22 -37.7 75.07 Favored 'General case' 0 N--CA 1.473 0.691 0 C-N-CA 124.829 1.252 . . . . 10.0 113.789 177.103 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 36' ' ' PHE . . . . . . . . . . . . . 69.8 m-85 -72.8 156.11 90.17 Favored Pre-proline 0 CA--C 1.543 0.7 0 C-N-CA 126.04 1.736 . . . . 10.0 114.57 -169.468 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 90.5 Cg_endo -73.48 128.06 12.38 Favored 'Trans proline' 0 CA--C 1.539 0.755 0 C-N-CA 123.314 2.676 . . . . 10.0 110.355 169.503 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 9.7 m-20 -85.47 -32.68 22.13 Favored 'General case' 0 N--CA 1.472 0.632 0 C-N-CA 123.956 0.902 . . . . 10.0 111.003 173.312 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . -134.54 172.16 22.0 Favored Glycine 0 CA--C 1.536 1.402 0 C-N-CA 127.165 2.317 . . . . 10.0 110.917 169.448 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 40' ' ' ILE . . . . . . . . . . . . . 98.5 mt -136.39 124.71 35.76 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.83 0 C-N-CA 124.646 1.178 . . . . 10.0 108.906 175.112 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 41' ' ' TYR . . . . . . . . . . . . . 71.9 t80 -72.76 101.47 3.11 Favored 'General case' 0 CA--C 1.535 0.377 0 C-N-CA 124.958 1.303 . . . . 10.0 110.136 174.132 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 42' ' ' TYR . . . . . . . . . . . . . 59.9 t80 -152.78 145.78 24.53 Favored 'General case' 0 N--CA 1.469 0.492 0 C-N-CA 124.055 0.942 . . . . 10.0 111.592 176.551 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 50.6 mt-10 -128.0 86.56 2.49 Favored 'General case' 0 N--CA 1.47 0.532 0 C-N-CA 125.839 1.656 . . . . 10.0 110.238 -177.503 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . -103.23 37.84 3.52 Favored Glycine 0 CA--C 1.533 1.159 0 C-N-CA 125.075 1.321 . . . . 10.0 113.964 -176.687 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 45' ' ' CYS . . . . . . . . . . . . . 70.7 m -135.42 119.73 17.85 Favored 'General case' 0 CA--C 1.541 0.609 0 C-N-CA 125.772 1.629 . . . . 10.0 110.725 -176.287 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 38.7 p -136.87 -59.32 0.71 Allowed 'General case' 0 N--CA 1.472 0.642 0 C-N-CA 126.081 1.752 . . . . 10.0 112.146 178.639 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 12.0 pt-20 -147.1 158.79 44.05 Favored 'General case' 0 CA--C 1.542 0.667 0 C-N-CA 126.138 1.775 . . . . 10.0 112.908 -178.376 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -56.01 -19.72 13.75 Favored 'General case' 0 CA--C 1.546 0.824 0 N-CA-C 116.143 1.905 . . . . 10.0 116.143 -174.755 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 72.8 m-20 -61.96 -31.65 72.01 Favored 'General case' 0 CA--C 1.546 0.813 0 C-N-CA 123.979 0.912 . . . . 10.0 113.152 170.401 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . 47.1 t -70.28 130.35 34.59 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.865 0 C-N-CA 124.672 1.189 . . . . 10.0 109.898 170.477 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 73.5 p -112.72 170.85 7.9 Favored 'General case' 0 N--CA 1.477 0.903 0 C-N-CA 125.533 1.533 . . . . 10.0 111.532 -176.998 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 62.6 tttm -57.56 -54.55 45.53 Favored 'General case' 0 N--CA 1.473 0.718 0 O-C-N 121.619 -0.676 . . . . 10.0 112.189 176.803 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 12.8 pt-20 -53.0 -43.11 66.23 Favored 'General case' 0 CA--C 1.543 0.678 0 N-CA-C 113.009 0.744 . . . . 10.0 113.009 176.717 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 54' ' ' MET . . . . . . . . . . . . . 59.3 mtm -61.47 -44.98 96.13 Favored 'General case' 0 CA--C 1.538 0.508 0 C-N-CA 123.416 0.686 . . . . 10.0 112.826 171.925 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 3.0 tt -55.64 -59.55 4.69 Favored 'General case' 0 N--CA 1.47 0.569 0 CA-C-N 119.528 1.058 . . . . 10.0 111.358 173.656 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 56' ' ' VAL . . . . . 0.462 HG22 ' HA ' ' A' ' 94' ' ' SER . 18.5 t -54.25 -48.37 67.08 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.909 0 CA-C-N 119.364 0.984 . . . . 10.0 111.151 -177.543 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 57' ' ' THR . . . . . . . . . . . . . 57.9 m -61.3 -53.74 52.85 Favored 'General case' 0 N--CA 1.476 0.829 0 C-N-CA 124.942 1.297 . . . . 10.0 112.284 178.802 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 96.7 p -60.89 -36.94 80.53 Favored 'General case' 0 N--CA 1.472 0.673 0 O-C-N 121.491 -0.756 . . . . 10.0 112.642 177.915 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 59' ' ' CYS . . . . . . . . . . . . . 43.4 t -57.79 -51.35 69.94 Favored 'General case' 0 CA--C 1.536 0.441 0 C-N-CA 125.744 1.617 . . . . 10.0 112.646 170.843 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 60' ' ' VAL . . . . . . . . . . . . . 43.8 t -54.46 -49.11 67.86 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.071 0 CA-C-N 119.402 1.001 . . . . 10.0 111.466 172.29 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 61' ' ' ASN . . . . . . . . . . . . . 15.8 m-80 -59.45 -44.03 93.04 Favored 'General case' 0 CA--C 1.545 0.759 0 C-N-CA 124.155 0.982 . . . . 10.0 113.147 176.887 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -61.1 -49.15 78.47 Favored 'General case' 0 CA--C 1.539 0.549 0 C-N-CA 124.042 0.937 . . . . 10.0 111.11 173.823 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 63' ' ' THR . . . . . . . . . . . . . 33.1 m -52.95 -50.27 64.39 Favored 'General case' 0 N--CA 1.472 0.644 0 C-N-CA 125.779 1.632 . . . . 10.0 111.751 176.9 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 64' ' ' GLN . . . . . . . . . . . . . 79.6 mt-30 -48.36 -60.66 2.49 Favored 'General case' 0 CA--C 1.538 0.506 0 C-N-CA 125.433 1.493 . . . . 10.0 112.015 172.512 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -58.6 -38.65 78.43 Favored 'General case' 0 CA--C 1.546 0.815 0 C-N-CA 125.351 1.461 . . . . 10.0 114.165 -179.387 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -71.71 -38.61 70.5 Favored 'General case' 0 CA--C 1.542 0.659 0 N-CA-C 114.459 1.281 . . . . 10.0 114.459 179.68 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 67' ' ' ASN . . . . . . . . . . . . . 11.4 m-80 -117.82 40.14 3.19 Favored 'General case' 0 CA--C 1.546 0.811 0 C-N-CA 124.242 1.017 . . . . 10.0 112.411 -169.824 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 68' ' ' GLN . . . . . . . . . . . . . 37.8 mm-40 -48.96 -52.88 22.33 Favored 'General case' 0 N--CA 1.475 0.776 0 C-N-CA 126.394 1.878 . . . . 10.0 113.086 -179.69 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -53.18 -42.99 66.77 Favored 'General case' 0 CA--C 1.542 0.656 0 C-N-CA 125.222 1.409 . . . . 10.0 113.191 179.849 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 28.6 mm-40 -59.33 -58.68 7.54 Favored 'General case' 0 CA--C 1.537 0.444 0 C-N-CA 124.243 1.017 . . . . 10.0 110.725 175.473 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 71' ' ' PHE . . . . . . . . . . . . . 37.2 m-85 -58.32 -28.91 65.47 Favored 'General case' 0 CA--C 1.54 0.58 0 N-CA-C 114.468 1.284 . . . . 10.0 114.468 -178.956 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 72.7 m -62.32 -56.11 21.58 Favored 'General case' 0 N--CA 1.473 0.708 0 CA-C-N 119.105 0.866 . . . . 10.0 112.497 169.841 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 73' ' ' ARG . . . . . . . . . . . . . 68.4 mtm-85 -63.98 -58.6 6.22 Favored 'General case' 0 N--CA 1.478 0.934 0 C-N-CA 124.133 0.973 . . . . 10.0 112.556 178.808 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 54.9 mm-40 -74.49 43.67 0.19 Allowed 'General case' 0 CA--C 1.545 0.771 0 C-N-CA 128.688 2.795 . . . . 10.0 113.418 -169.418 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 41.6 ttmt -155.31 -62.47 0.12 Allowed 'General case' 0 N--CA 1.468 0.459 0 C-N-CA 129.582 3.153 . . . . 10.0 109.458 -173.747 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 76' ' ' GLN . . . . . . . . . . . . . 89.7 mm-40 -65.37 -52.79 51.24 Favored 'General case' 0 CA--C 1.54 0.558 0 C-N-CA 125.433 1.493 . . . . 10.0 111.472 173.617 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 25.1 t70 -71.5 -39.17 71.0 Favored 'General case' 0 CA--C 1.542 0.641 0 C-N-CA 124.181 0.993 . . . . 10.0 112.561 176.724 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 6.9 t -132.31 97.74 4.2 Favored 'General case' 0 N--CA 1.471 0.625 0 C-N-CA 124.599 1.159 . . . . 10.0 113.321 -175.676 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 88.1 tttt -60.39 -46.72 88.96 Favored 'General case' 0 N--CA 1.475 0.798 0 C-N-CA 125.942 1.697 . . . . 10.0 112.029 173.72 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -52.51 -49.51 64.65 Favored 'General case' 0 N--CA 1.472 0.67 0 C-N-CA 125.893 1.677 . . . . 10.0 111.145 177.736 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 81' ' ' HIS . . . . . . . . . . . . . 6.4 t-160 -51.42 -48.41 62.69 Favored 'General case' 0 N--CA 1.466 0.373 0 C-N-CA 125.591 1.556 . . . . 10.0 113.55 -170.691 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 82' ' ' GLN . . . . . . . . . . . . . 61.4 mm-40 -44.37 -60.84 1.75 Allowed 'General case' 0 N--CA 1.477 0.886 0 C-N-CA 125.055 1.342 . . . . 10.0 113.742 -178.011 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 83' ' ' ARG . . . . . . . . . . . . . 61.0 mtm180 -52.35 -51.75 57.11 Favored 'General case' 0 N--CA 1.479 1.001 0 C-N-CA 124.572 1.149 . . . . 10.0 112.223 -178.129 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 84' ' ' VAL . . . . . . . . . . . . . 3.4 t -59.71 -54.2 37.91 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.721 0 C-N-CA 125.893 1.677 . . . . 10.0 110.969 178.026 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 85' ' ' LEU . . . . . . . . . . . . . 33.8 tp -56.11 -51.75 66.79 Favored 'General case' 0 CA--C 1.536 0.406 0 C-N-CA 126.126 1.77 . . . . 10.0 112.312 -179.832 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 86' ' ' TRP . . . . . . . . . . . . . 58.6 m95 -59.48 -43.43 93.29 Favored 'General case' 0 N--CA 1.467 0.422 0 N-CA-C 113.446 0.906 . . . . 10.0 113.446 175.952 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 87' ' ' ARG . . . . . . . . . . . . . 14.4 tpt180 -56.67 -50.57 71.7 Favored 'General case' 0 N--CA 1.472 0.654 0 CA-C-N 118.864 0.756 . . . . 10.0 111.297 171.538 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 88' ' ' LEU . . . . . . . . . . . . . 1.2 tt -57.13 -52.79 63.88 Favored 'General case' 0 CA--C 1.544 0.736 0 C-N-CA 124.392 1.077 . . . . 10.0 112.011 177.573 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 89' ' ' ILE . . . . . . . . . . . . . 84.2 mt -49.94 -51.35 16.85 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.733 0 C-N-CA 124.86 1.264 . . . . 10.0 110.519 172.998 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 85.4 tttt -59.56 -46.44 88.9 Favored 'General case' 0 N--CA 1.471 0.585 0 CA-C-O 118.004 -0.998 . . . . 10.0 113.224 177.104 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 59.4 mm-40 -52.88 -50.68 63.36 Favored 'General case' 0 N--CA 1.474 0.774 0 CA-C-N 120.16 1.345 . . . . 10.0 111.811 172.33 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 92' ' ' ILE . . . . . . . . . . . . . 96.1 mt -57.54 -56.08 17.41 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.869 0 C-N-CA 124.225 1.01 . . . . 10.0 111.349 174.309 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 93' ' ' CYS . . . . . . . . . . . . . 68.9 m -57.3 -40.15 77.24 Favored 'General case' 0 CA--C 1.548 0.873 0 C-N-CA 124.701 1.2 . . . . 10.0 112.678 -179.774 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 94' ' ' SER . . . . . 0.462 ' HA ' HG22 ' A' ' 56' ' ' VAL . 16.1 t -64.06 -40.22 95.8 Favored 'General case' 0 N--CA 1.474 0.743 0 C-N-CA 126.445 1.898 . . . . 10.0 113.596 173.368 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . -59.15 -34.69 72.38 Favored 'General case' 0 CA--C 1.544 0.742 0 C-N-CA 124.001 0.92 . . . . 10.0 113.193 176.928 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 96' ' ' LYS . . . . . . . . . . . . . 28.1 mttm -55.59 130.25 42.23 Favored 'General case' 0 N--CA 1.478 0.969 0 C-N-CA 125.036 1.334 . . . . 10.0 111.949 177.573 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 97' ' ' HIS . . . . . 0.441 ' HA ' ' CZ3' ' A' ' 101' ' ' TRP . 26.6 m80 -131.88 154.5 49.14 Favored 'General case' 0 N--CA 1.473 0.722 0 C-N-CA 125.753 1.621 . . . . 10.0 111.908 175.181 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 98' ' ' CYS . . . . . . . . . . . . . 37.7 m -110.54 132.69 53.97 Favored 'General case' 0 CA--C 1.539 0.556 0 C-N-CA 124.934 1.294 . . . . 10.0 111.04 173.579 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 99' ' ' ASP . . . . . . . . . . . . . 32.2 t70 -58.29 -39.04 78.25 Favored 'General case' 0 N--CA 1.474 0.729 0 C-N-CA 124.835 1.254 . . . . 10.0 113.433 -177.801 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 100' ' ' PHE . . . . . . . . . . . . . 5.3 p90 -68.26 -11.32 59.18 Favored 'General case' 0 CA--C 1.545 0.769 0 N-CA-C 115.492 1.664 . . . . 10.0 115.492 -178.458 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 101' ' ' TRP . . . . . 0.441 ' CZ3' ' HA ' ' A' ' 97' ' ' HIS . 33.2 m0 . . . . . 0 N--CA 1.472 0.638 0 CA-C-N 120.038 1.29 . . . . 10.0 112.7 -177.993 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 5' ' ' ASN . . . . . . . . . . . . . 55.1 t30 . . . . . 0 CA--C 1.549 0.911 0 CA-C-O 122.343 1.068 . . . . 10.0 112.259 . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild core ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 15.4 ptt-85 -78.46 150.84 77.11 Favored Pre-proline 0 N--CA 1.474 0.737 0 C-N-CA 128.156 2.582 . . . . 10.0 111.977 176.683 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 7' ' ' PRO . . . . . . . . . . . . . 45.7 Cg_endo -61.51 118.49 5.37 Favored 'Trans proline' 0 CA--C 1.539 0.728 0 C-N-CA 122.53 2.153 . . . . 10.0 110.14 175.208 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . 113.77 -10.68 23.29 Favored Glycine 0 CA--C 1.539 1.539 0 C-N-CA 126.515 2.007 . . . . 10.0 113.94 -169.779 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -62.26 130.77 46.88 Favored 'General case' 0 CA--C 1.544 0.738 0 CA-C-N 119.602 1.701 . . . . 10.0 112.067 -179.633 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 10' ' ' PHE . . . . . . . . . . . . . 28.2 m-85 -62.27 151.42 36.47 Favored 'General case' 0 CA--C 1.54 0.559 0 C-N-CA 123.466 0.706 . . . . 10.0 112.073 172.988 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 71.8 mt -121.14 115.45 46.76 Favored 'Isoleucine or valine' 0 C--O 1.236 0.368 0 N-CA-C 106.594 -1.632 . . . . 10.0 106.594 169.612 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 57.4 mtmt -117.6 85.83 2.41 Favored 'General case' 0 N--CA 1.471 0.612 0 C-N-CA 126.282 1.833 . . . . 10.0 109.767 -175.514 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 35.8 mt-30 -76.82 -30.9 56.57 Favored 'General case' 0 CA--C 1.541 0.599 0 C-N-CA 126.518 1.927 . . . . 10.0 111.15 171.664 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . 87.47 62.56 1.47 Allowed Glycine 0 CA--C 1.529 0.964 0 C-N-CA 125.314 1.435 . . . . 10.0 110.229 -174.915 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 37.3 ttp85 -128.39 106.87 9.3 Favored 'General case' 0 N--CA 1.47 0.552 0 C-N-CA 126.865 2.066 . . . . 10.0 110.262 -169.703 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 75.4 tttt -69.87 104.96 2.63 Favored 'General case' 0 N--CA 1.473 0.693 0 C-N-CA 125.68 1.592 . . . . 10.0 110.761 -178.172 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 86.8 mt -75.14 173.7 10.42 Favored 'General case' 0 CA--C 1.543 0.709 0 C-N-CA 125.724 1.61 . . . . 10.0 112.812 -177.449 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 19.5 t0 -126.2 93.32 3.78 Favored 'General case' 0 CA--C 1.541 0.628 0 C-N-CA 125.852 1.661 . . . . 10.0 110.087 172.758 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . 88.7 mt -132.62 134.52 58.61 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.719 0 C-N-CA 127.44 2.296 . . . . 10.0 108.34 -179.121 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 24.4 t0 -85.23 102.43 13.32 Favored 'General case' 0 CA--C 1.538 0.508 0 CA-C-O 121.727 0.775 . . . . 10.0 109.594 169.361 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 21' ' ' PHE . . . . . . . . . . . . . 74.0 m-85 -81.9 -31.42 31.42 Favored 'General case' 0 CA--C 1.542 0.637 0 C-N-CA 126.907 2.083 . . . . 10.0 111.774 170.363 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 119.18 155.45 9.8 Favored Glycine 0 CA--C 1.533 1.184 0 C-N-CA 127.849 2.643 . . . . 10.0 109.754 -169.554 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -41.33 -56.08 2.55 Favored 'General case' 0 CA--C 1.548 0.891 0 N-CA-C 115.546 1.684 . . . . 10.0 115.546 -169.695 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 40.3 tt0 -60.72 -46.8 89.03 Favored 'General case' 0 CA--C 1.544 0.729 0 C-N-CA 125.026 1.33 . . . . 10.0 112.433 178.464 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -68.38 -40.19 87.13 Favored Glycine 0 CA--C 1.533 1.177 0 C-N-CA 125.258 1.408 . . . . 10.0 114.249 179.582 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 92.2 m-20 -55.25 -49.61 71.58 Favored 'General case' 0 CA--C 1.535 0.383 0 C-N-CA 126.253 1.821 . . . . 10.0 110.436 173.897 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 94.4 mtt-85 -60.46 -45.81 92.36 Favored 'General case' 0 N--CA 1.474 0.749 0 C-N-CA 124.845 1.258 . . . . 10.0 111.769 175.917 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 28' ' ' TYR . . . . . . . . . . . . . 73.4 t80 -59.7 -53.37 58.73 Favored 'General case' 0 CA--C 1.536 0.442 0 C-N-CA 123.945 0.898 . . . . 10.0 112.343 177.805 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 29' ' ' TYR . . . . . . . . . . . . . 79.5 t80 -56.05 -52.72 63.25 Favored 'General case' 0 CA--C 1.535 0.386 0 C-N-CA 124.145 0.978 . . . . 10.0 112.006 175.494 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -50.45 -32.8 18.88 Favored 'General case' 0 CA--C 1.546 0.809 0 N-CA-C 114.209 1.188 . . . . 10.0 114.209 178.686 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -88.75 -28.63 20.38 Favored 'General case' 0 CA--C 1.551 1.003 0 C-N-CA 125.741 1.616 . . . . 10.0 115.068 176.236 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 32' ' ' ASN . . . . . . . . . . . . . 55.7 m-80 -122.97 7.63 9.28 Favored 'General case' 0 CA--C 1.549 0.911 0 N-CA-C 116.289 1.959 . . . . 10.0 116.289 -169.101 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 33' ' ' TYR . . . . . . . . . . . . . 45.6 p90 -45.57 -34.21 3.23 Favored 'General case' 0 N--CA 1.476 0.859 0 C-N-CA 127.417 2.287 . . . . 10.0 115.505 -176.589 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 34' ' ' TRP . . . . . . . . . . . . . 63.3 p-90 -51.94 -34.31 41.35 Favored 'General case' 0 CA--C 1.546 0.8 0 C-N-CA 126.012 1.725 . . . . 10.0 114.497 175.532 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 31.1 mt-30 -67.84 -42.53 81.29 Favored 'General case' 0 N--CA 1.475 0.799 0 C-N-CA 124.21 1.004 . . . . 10.0 112.833 176.225 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 36' ' ' PHE . . . . . . . . . . . . . 76.4 m-85 -69.97 154.61 94.51 Favored Pre-proline 0 CA--C 1.542 0.663 0 C-N-CA 126.547 1.939 . . . . 10.0 114.086 -169.741 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 65.8 Cg_endo -72.9 153.13 52.85 Favored 'Trans proline' 0 CA--C 1.539 0.77 0 C-N-CA 123.024 2.482 . . . . 10.0 109.835 169.021 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 4.1 p30 -115.49 -29.04 6.63 Favored 'General case' 0 N--CA 1.474 0.729 0 C-N-CA 123.9 0.88 . . . . 10.0 111.492 169.882 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . -122.91 166.55 15.29 Favored Glycine 0 CA--C 1.539 1.558 0 C-N-CA 125.477 1.513 . . . . 10.0 110.907 168.36 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 40' ' ' ILE . . . . . . . . . . . . . 97.3 mt -138.71 125.41 25.47 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.956 0 C-N-CA 125.041 1.337 . . . . 10.0 108.492 171.941 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 41' ' ' TYR . . . . . . . . . . . . . 89.7 t80 -74.37 117.18 15.89 Favored 'General case' 0 CA--C 1.536 0.433 0 C-N-CA 124.262 1.025 . . . . 10.0 110.001 169.933 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 42' ' ' TYR . . . . . . . . . . . . . 67.8 t80 -152.9 156.24 38.58 Favored 'General case' 0 CA--C 1.542 0.64 0 C-N-CA 124.715 1.206 . . . . 10.0 111.408 179.591 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 46.5 mt-10 -124.8 95.46 4.52 Favored 'General case' 0 CA--C 1.539 0.546 0 C-N-CA 125.826 1.65 . . . . 10.0 110.072 -177.568 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . -104.91 -64.76 0.66 Allowed Glycine 0 CA--C 1.53 0.997 0 C-N-CA 125.225 1.393 . . . . 10.0 113.838 -170.897 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 45' ' ' CYS . . . . . . . . . . . . . 64.8 m -57.62 117.37 4.13 Favored 'General case' 0 CA--C 1.544 0.748 0 C-N-CA 125.264 1.426 . . . . 10.0 112.001 -178.103 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 23.3 t -140.76 -60.19 0.51 Allowed 'General case' 0 N--CA 1.472 0.64 0 C-N-CA 125.594 1.558 . . . . 10.0 111.981 -175.488 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 11.2 pt-20 -142.53 156.58 45.14 Favored 'General case' 0 N--CA 1.472 0.638 0 C-N-CA 125.074 1.35 . . . . 10.0 112.716 178.963 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -51.84 -31.82 29.27 Favored 'General case' 0 CA--C 1.544 0.721 0 C-N-CA 126.261 1.825 . . . . 10.0 115.265 -175.683 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 79.3 m-20 -64.36 -29.37 70.45 Favored 'General case' 0 CA--C 1.544 0.732 0 C-N-CA 124.767 1.227 . . . . 10.0 113.63 177.737 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . 64.5 t -65.19 111.3 1.3 Allowed 'Isoleucine or valine' 0 N--CA 1.477 0.879 0 C-N-CA 124.498 1.119 . . . . 10.0 109.175 172.365 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 72.3 p -85.0 174.84 9.44 Favored 'General case' 0 N--CA 1.479 1.019 0 C-N-CA 124.545 1.138 . . . . 10.0 112.029 175.187 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 88.2 tttt -60.57 -51.16 70.61 Favored 'General case' 0 N--CA 1.475 0.781 0 O-C-N 121.208 -0.932 . . . . 10.0 110.333 169.488 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 2.3 mp0 -47.51 -50.25 23.89 Favored 'General case' 0 CA--C 1.538 0.483 0 C-N-CA 125.097 1.359 . . . . 10.0 111.792 176.276 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 54' ' ' MET . . . . . . . . . . . . . 95.7 mtp -56.55 -58.78 6.57 Favored 'General case' 0 CA--C 1.536 0.432 0 C-N-CA 124.32 1.048 . . . . 10.0 112.336 171.216 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 6.9 tt -56.62 -54.09 50.05 Favored 'General case' 0 N--CA 1.468 0.442 0 C-N-CA 123.965 0.906 . . . . 10.0 112.32 -174.192 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 62.7 t -56.58 -48.32 80.65 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.779 0 C-N-CA 125.672 1.589 . . . . 10.0 111.053 179.803 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 57' ' ' THR . . . . . . . . . . . . . 87.8 m -60.08 -51.44 69.61 Favored 'General case' 0 N--CA 1.478 0.95 0 C-N-CA 124.355 1.062 . . . . 10.0 111.862 176.459 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 69.5 m -60.21 -36.3 77.37 Favored 'General case' 0 N--CA 1.469 0.52 0 C-N-CA 124.204 1.002 . . . . 10.0 112.845 176.58 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 59' ' ' CYS . . . . . . . . . . . . . 28.7 t -59.07 -50.2 74.97 Favored 'General case' 0 CA--C 1.539 0.521 0 C-N-CA 125.163 1.385 . . . . 10.0 112.648 170.751 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 60' ' ' VAL . . . . . . . . . . . . . 47.1 t -55.2 -49.35 72.9 Favored 'Isoleucine or valine' 0 N--CA 1.479 1.003 0 C-N-CA 123.818 0.847 . . . . 10.0 111.24 172.33 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 61' ' ' ASN . . . . . . . . . . . . . 15.7 m-80 -59.32 -44.0 92.62 Favored 'General case' 0 CA--C 1.545 0.759 0 C-N-CA 124.4 1.08 . . . . 10.0 113.103 176.5 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -61.48 -47.55 85.16 Favored 'General case' 0 CA--C 1.536 0.427 0 C-N-CA 124.151 0.981 . . . . 10.0 111.212 174.74 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 63' ' ' THR . . . . . . . . . . . . . 27.1 m -54.89 -48.98 72.3 Favored 'General case' 0 N--CA 1.472 0.669 0 C-N-CA 124.963 1.305 . . . . 10.0 111.513 175.465 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 64' ' ' GLN . . . . . . . . . . . . . 77.1 mt-30 -51.52 -64.11 0.92 Allowed 'General case' 0 CA--C 1.538 0.506 0 C-N-CA 124.813 1.245 . . . . 10.0 111.5 170.687 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -51.58 -44.02 62.65 Favored 'General case' 0 CA--C 1.544 0.75 0 C-N-CA 126.073 1.749 . . . . 10.0 113.882 -177.994 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -66.87 -28.62 68.48 Favored 'General case' 0 CA--C 1.543 0.685 0 C-N-CA 125.136 1.374 . . . . 10.0 114.381 177.652 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 67' ' ' ASN . . . . . . . . . . . . . 18.6 m-80 -132.12 38.32 3.51 Favored 'General case' 0 CA--C 1.547 0.832 0 CA-C-N 119.641 1.11 . . . . 10.0 113.117 -170.435 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 68' ' ' GLN . . . . . . . . . . . . . 16.4 mm-40 -54.38 -52.85 60.38 Favored 'General case' 0 N--CA 1.475 0.805 0 C-N-CA 125.025 1.33 . . . . 10.0 113.008 -173.162 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -57.9 -46.56 84.75 Favored 'General case' 0 CA--C 1.543 0.681 0 C-N-CA 124.728 1.211 . . . . 10.0 112.741 178.99 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 33.8 mm-40 -54.27 -48.52 71.12 Favored 'General case' 0 N--CA 1.472 0.67 0 C-N-CA 125.085 1.354 . . . . 10.0 111.697 -179.942 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 71' ' ' PHE . . . . . . . . . . . . . 52.7 m-85 -64.01 -61.14 2.46 Favored 'General case' 0 CA--C 1.536 0.433 0 C-N-CA 123.598 0.759 . . . . 10.0 111.877 171.183 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 70.2 m -52.11 -47.49 65.28 Favored 'General case' 0 N--CA 1.474 0.757 0 C-N-CA 125.95 1.7 . . . . 10.0 114.584 -169.816 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 73' ' ' ARG . . . . . . . . . . . . . 29.8 mmt85 -60.81 -47.6 85.62 Favored 'General case' 0 N--CA 1.476 0.842 0 C-N-CA 124.512 1.125 . . . . 10.0 112.466 -179.953 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 14.5 mt-10 -68.52 -46.69 68.88 Favored 'General case' 0 N--CA 1.471 0.599 0 C-N-CA 123.89 0.876 . . . . 10.0 113.341 175.474 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 40.2 ttpt -45.31 -31.53 1.63 Allowed 'General case' 0 N--CA 1.481 1.122 0 C-N-CA 127.844 2.457 . . . . 10.0 115.093 -175.243 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 76' ' ' GLN . . . . . . . . . . . . . 77.6 mm-40 -51.71 -35.14 41.79 Favored 'General case' 0 CA--C 1.545 0.77 0 C-N-CA 125.589 1.556 . . . . 10.0 113.828 174.921 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 31.8 t70 -136.72 -36.78 0.69 Allowed 'General case' 0 N--CA 1.475 0.775 0 C-N-CA 125.633 1.573 . . . . 10.0 114.029 -173.504 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -77.42 53.68 1.07 Allowed 'General case' 0 CA--C 1.547 0.829 0 C-N-CA 127.363 2.265 . . . . 10.0 113.309 -171.176 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 16.4 tppt? -56.75 -51.38 69.09 Favored 'General case' 0 N--CA 1.476 0.831 0 C-N-CA 126.514 1.926 . . . . 10.0 112.969 -174.22 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 38.2 tp -57.44 -45.39 84.74 Favored 'General case' 0 N--CA 1.469 0.507 0 C-N-CA 124.38 1.072 . . . . 10.0 111.828 175.326 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 81' ' ' HIS . . . . . . . . . . . . . 14.1 t-160 -56.86 -53.45 57.74 Favored 'General case' 0 N--CA 1.469 0.505 0 CA-C-O 118.185 -0.912 . . . . 10.0 111.35 175.049 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 82' ' ' GLN . . . . . . . . . . . . . 95.6 mm-40 -48.93 -56.41 8.93 Favored 'General case' 0 N--CA 1.473 0.691 0 C-N-CA 124.432 1.093 . . . . 10.0 112.071 176.093 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 83' ' ' ARG . . . . . . . . . . . . . 51.4 mtp180 -48.21 -57.14 6.34 Favored 'General case' 0 N--CA 1.479 1.023 0 C-N-CA 125.491 1.516 . . . . 10.0 112.735 178.277 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 84' ' ' VAL . . . . . . . . . . . . . 56.3 t -61.73 -51.48 72.16 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.872 0 C-N-CA 125.611 1.565 . . . . 10.0 111.237 178.834 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 85' ' ' LEU . . . . . . . . . . . . . 49.5 tp -55.71 -47.55 76.67 Favored 'General case' 0 N--CA 1.469 0.502 0 C-N-CA 126.203 1.801 . . . . 10.0 112.813 -179.495 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 86' ' ' TRP . . . . . . . . . . . . . 63.2 m95 -62.17 -43.38 98.95 Favored 'General case' 0 N--CA 1.468 0.439 0 N-CA-C 113.786 1.032 . . . . 10.0 113.786 176.7 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 87' ' ' ARG . . . . . . . . . . . . . 24.2 tpt180 -55.45 -46.81 76.76 Favored 'General case' 0 N--CA 1.479 0.979 0 C-N-CA 123.836 0.855 . . . . 10.0 111.467 170.204 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 88' ' ' LEU . . . . . . . . . . . . . 1.9 tt -57.47 -57.14 13.99 Favored 'General case' 0 CA--C 1.546 0.796 0 C-N-CA 124.712 1.205 . . . . 10.0 112.087 174.781 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 89' ' ' ILE . . . . . . . . . . . . . 86.9 mt -50.88 -49.16 27.6 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.818 0 C-N-CA 125.038 1.335 . . . . 10.0 110.913 176.167 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 24.1 tptm -58.23 -45.96 86.8 Favored 'General case' 0 N--CA 1.47 0.539 0 C-N-CA 124.344 1.058 . . . . 10.0 112.905 176.971 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 21.4 mm-40 -56.58 -47.27 79.93 Favored 'General case' 0 N--CA 1.473 0.681 0 CA-C-N 119.624 1.102 . . . . 10.0 112.579 172.433 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 92' ' ' ILE . . . . . . . . . . . . . 97.4 mt -56.22 -54.12 31.48 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.922 0 C-N-CA 123.731 0.813 . . . . 10.0 110.997 172.987 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 93' ' ' CYS . . . . . . . . . . . . . 93.5 m -58.23 -46.43 85.92 Favored 'General case' 0 CA--C 1.545 0.76 0 C-N-CA 123.752 0.821 . . . . 10.0 112.351 179.031 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 21.6 t -52.65 -41.53 63.86 Favored 'General case' 0 N--CA 1.476 0.855 0 C-N-CA 125.724 1.61 . . . . 10.0 113.472 175.567 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . -60.87 -27.01 67.81 Favored 'General case' 0 CA--C 1.548 0.903 0 N-CA-C 114.229 1.196 . . . . 10.0 114.229 177.994 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 96' ' ' LYS . . . . . . . . . . . . . 43.2 mttm -69.05 106.26 2.72 Favored 'General case' 0 N--CA 1.475 0.823 0 C-N-CA 125.266 1.426 . . . . 10.0 111.559 -177.887 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 97' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -123.64 148.51 46.38 Favored 'General case' 0 N--CA 1.469 0.511 0 C-N-CA 126.291 1.836 . . . . 10.0 114.132 -173.978 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 98' ' ' CYS . . . . . . . . . . . . . 32.8 m -113.83 135.32 54.09 Favored 'General case' 0 N--CA 1.47 0.551 0 C-N-CA 124.615 1.166 . . . . 10.0 112.429 -177.289 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 99' ' ' ASP . . . . . . . . . . . . . 32.9 t70 -59.58 -38.65 81.77 Favored 'General case' 0 CA--C 1.542 0.652 0 C-N-CA 125.021 1.328 . . . . 10.0 113.063 177.536 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 100' ' ' PHE . . . . . . . . . . . . . 5.8 p90 -66.74 -15.23 63.4 Favored 'General case' 0 CA--C 1.543 0.695 0 N-CA-C 115.534 1.679 . . . . 10.0 115.534 -176.631 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 101' ' ' TRP . . . . . . . . . . . . . 31.4 m0 . . . . . 0 N--CA 1.473 0.675 0 CA-C-N 120.02 1.282 . . . . 10.0 114.035 -174.114 . . . . . . . . 0 0 . 1 . 015 nuclear nobuild core ' A' A ' 5' ' ' ASN . . . . . . . . . . . . . 1.0 OUTLIER . . . . . 0 CA--C 1.544 0.735 0 CA-C-O 122.826 1.298 . . . . 10.0 109.03 . . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 24.8 ptt-85 -86.4 146.37 41.95 Favored Pre-proline 0 N--CA 1.474 0.773 0 C-N-CA 127.925 2.49 . . . . 10.0 112.069 176.869 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 7' ' ' PRO . . . . . . . . . . . . . 73.4 Cg_exo -49.12 117.59 2.94 Favored 'Trans proline' 0 CA--C 1.54 0.799 0 C-N-CA 123.789 2.993 . . . . 10.0 113.087 176.42 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . 115.44 -20.37 13.82 Favored Glycine 0 CA--C 1.538 1.478 0 C-N-CA 127.252 2.358 . . . . 10.0 113.968 -170.681 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -59.86 134.99 57.55 Favored 'General case' 0 CA--C 1.544 0.732 0 CA-C-N 119.505 1.652 . . . . 10.0 113.19 -172.11 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 10' ' ' PHE . . . . . . . . . . . . . 21.1 m-85 -60.91 148.4 39.79 Favored 'General case' 0 CA--C 1.54 0.588 0 C-N-CA 123.598 0.759 . . . . 10.0 112.874 173.547 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 68.4 mt -118.67 98.23 6.21 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.519 0 C-N-CA 125.952 1.701 . . . . 10.0 106.562 169.623 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 85.6 mttt -93.1 97.5 10.72 Favored 'General case' 0 N--CA 1.473 0.701 0 C-N-CA 125.153 1.381 . . . . 10.0 110.383 -177.2 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 27.0 mt-30 -90.18 -16.1 30.16 Favored 'General case' 0 N--CA 1.472 0.667 0 C-N-CA 124.449 1.1 . . . . 10.0 112.486 174.548 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . 78.02 7.47 87.56 Favored Glycine 0 CA--C 1.537 1.439 0 C-N-CA 125.027 1.299 . . . . 10.0 114.429 -178.535 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 42.7 ttp180 -70.4 125.04 25.68 Favored 'General case' 0 N--CA 1.471 0.581 0 C-N-CA 126.711 2.004 . . . . 10.0 111.109 178.478 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 59.5 tttm -72.0 107.72 4.86 Favored 'General case' 0 N--CA 1.473 0.705 0 C-N-CA 124.83 1.252 . . . . 10.0 110.322 173.174 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 95.4 mt -75.28 172.75 11.88 Favored 'General case' 0 CA--C 1.544 0.713 0 C-N-CA 125.767 1.627 . . . . 10.0 112.538 178.233 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 19.1 t0 -123.09 91.06 3.41 Favored 'General case' 0 CA--C 1.541 0.625 0 C-N-CA 125.97 1.708 . . . . 10.0 110.191 175.141 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . 70.9 mt -133.14 126.32 52.91 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.634 0 C-N-CA 127.241 2.216 . . . . 10.0 107.804 -178.058 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 23.2 t0 -83.96 86.18 7.22 Favored 'General case' 0 CA--C 1.537 0.473 0 CA-C-O 122.026 0.917 . . . . 10.0 110.223 170.037 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 21' ' ' PHE . . . . . . . . . . . . . 86.3 m-85 -62.08 -46.4 89.24 Favored 'General case' 0 CA--C 1.539 0.543 0 C-N-CA 125.999 1.72 . . . . 10.0 110.944 170.32 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 132.7 162.65 10.34 Favored Glycine 0 CA--C 1.532 1.141 0 C-N-CA 127.359 2.409 . . . . 10.0 110.36 -169.578 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -42.96 -55.75 3.61 Favored 'General case' 0 CA--C 1.545 0.787 0 N-CA-C 115.414 1.635 . . . . 10.0 115.414 -169.805 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 8.4 mm-40 -64.12 -50.13 69.47 Favored 'General case' 0 N--CA 1.473 0.704 0 O-C-N 121.508 -0.745 . . . . 10.0 112.112 178.401 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -64.51 -39.6 96.97 Favored Glycine 0 CA--C 1.529 0.945 0 C-N-CA 124.291 0.948 . . . . 10.0 114.002 -177.058 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 89.3 m-20 -56.56 -51.14 69.73 Favored 'General case' 0 CA--C 1.535 0.392 0 C-N-CA 125.904 1.682 . . . . 10.0 110.251 172.937 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 69.3 mtm180 -63.72 -43.2 97.24 Favored 'General case' 0 N--CA 1.474 0.767 0 C-N-CA 123.599 0.76 . . . . 10.0 112.03 177.836 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 28' ' ' TYR . . . . . . . . . . . . . 77.0 t80 -59.54 -53.47 57.75 Favored 'General case' 0 CA--C 1.537 0.474 0 C-N-CA 123.996 0.918 . . . . 10.0 111.772 176.784 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 29' ' ' TYR . . . . . . . . . . . . . 77.4 t80 -57.12 -52.25 66.04 Favored 'General case' 0 CA--C 1.536 0.415 0 C-N-CA 124.752 1.221 . . . . 10.0 112.14 177.216 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -49.68 -36.6 25.59 Favored 'General case' 0 CA--C 1.547 0.836 0 N-CA-C 113.952 1.093 . . . . 10.0 113.952 176.813 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -85.36 -20.58 29.7 Favored 'General case' 0 CA--C 1.551 1.0 0 N-CA-C 115.219 1.563 . . . . 10.0 115.219 176.734 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 32' ' ' ASN . . . . . . . . . . . . . 60.9 m-80 -131.53 8.44 4.59 Favored 'General case' 0 N--CA 1.477 0.893 0 N-CA-C 116.65 2.093 . . . . 10.0 116.65 -169.185 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 33' ' ' TYR . . . . . . . . . . . . . 50.2 p90 -50.77 -29.64 12.06 Favored 'General case' 0 N--CA 1.478 0.971 0 C-N-CA 125.887 1.675 . . . . 10.0 115.269 -174.532 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 34' ' ' TRP . . . . . . . . . . . . . 64.8 p-90 -50.98 -34.64 29.85 Favored 'General case' 0 CA--C 1.545 0.781 0 C-N-CA 125.959 1.704 . . . . 10.0 114.335 173.335 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 31.3 mt-30 -70.46 -36.74 74.08 Favored 'General case' 0 N--CA 1.474 0.774 0 C-N-CA 124.676 1.191 . . . . 10.0 113.825 177.675 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 36' ' ' PHE . . . . . . . . . . . . . 78.0 m-85 -74.34 157.94 85.89 Favored Pre-proline 0 CA--C 1.546 0.812 0 C-N-CA 126.71 2.004 . . . . 10.0 114.976 -169.297 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 60.4 Cg_endo -73.37 156.55 50.4 Favored 'Trans proline' 0 CA--C 1.541 0.872 0 C-N-CA 123.719 2.946 . . . . 10.0 111.524 169.661 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 11.9 t70 -109.86 -38.28 5.4 Favored 'General case' 0 N--CA 1.473 0.676 0 C-N-CA 125.726 1.61 . . . . 10.0 111.03 171.232 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . -128.23 175.29 18.57 Favored Glycine 0 CA--C 1.535 1.312 0 C-N-CA 126.006 1.765 . . . . 10.0 111.993 169.795 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 40' ' ' ILE . . . . . . . . . . . . . 96.6 mt -135.32 125.61 43.78 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.679 0 C-N-CA 125.335 1.454 . . . . 10.0 108.524 174.611 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 41' ' ' TYR . . . . . . . . . . . . . 88.8 t80 -72.52 97.74 2.16 Favored 'General case' 0 CA--C 1.535 0.398 0 C-N-CA 124.222 1.009 . . . . 10.0 109.586 169.98 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 42' ' ' TYR . . . . . . . . . . . . . 63.4 t80 -150.73 133.31 15.68 Favored 'General case' 0 CA--C 1.534 0.362 0 C-N-CA 123.819 0.848 . . . . 10.0 111.337 174.675 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 48.7 mt-10 -128.97 64.98 1.45 Allowed 'General case' 0 CA--C 1.54 0.574 0 C-N-CA 125.747 1.619 . . . . 10.0 110.222 -175.764 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . -60.98 -44.85 97.67 Favored Glycine 0 CA--C 1.533 1.208 0 C-N-CA 125.22 1.391 . . . . 10.0 113.237 177.323 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 45' ' ' CYS . . . . . . . . . . . . . 56.7 m -61.11 135.49 57.78 Favored 'General case' 0 CA--C 1.541 0.605 0 C-N-CA 126.102 1.761 . . . . 10.0 113.757 179.404 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 22.8 t -147.3 -47.23 0.17 Allowed 'General case' 0 N--CA 1.473 0.675 0 C-N-CA 126.343 1.857 . . . . 10.0 111.218 176.907 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 11.4 pt-20 -137.06 158.53 44.25 Favored 'General case' 0 CA--C 1.542 0.641 0 C-N-CA 126.577 1.951 . . . . 10.0 111.852 179.71 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -52.61 -25.65 11.3 Favored 'General case' 0 CA--C 1.546 0.79 0 C-N-CA 126.202 1.801 . . . . 10.0 115.594 -175.206 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 74.6 m-20 -61.49 -30.78 70.83 Favored 'General case' 0 CA--C 1.544 0.738 0 C-N-CA 124.466 1.106 . . . . 10.0 113.27 174.07 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . 61.6 t -71.19 108.16 2.7 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.833 0 C-N-CA 124.359 1.064 . . . . 10.0 109.752 172.392 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 82.6 p -89.67 174.56 7.67 Favored 'General case' 0 N--CA 1.475 0.782 0 C-N-CA 124.78 1.232 . . . . 10.0 112.246 179.753 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 85.0 tttt -58.88 -57.04 14.79 Favored 'General case' 0 N--CA 1.472 0.628 0 C-N-CA 123.705 0.802 . . . . 10.0 111.434 169.807 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 12.2 pt-20 -51.79 -40.19 59.94 Favored 'General case' 0 N--CA 1.474 0.745 0 C-N-CA 124.412 1.085 . . . . 10.0 113.056 177.365 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 54' ' ' MET . . . . . . . . . . . . . 88.6 mtp -60.13 -54.17 49.13 Favored 'General case' 0 N--CA 1.47 0.573 0 C-N-CA 123.399 0.68 . . . . 10.0 111.492 169.331 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 8.3 tt -56.27 -49.74 73.38 Favored 'General case' 0 CA--C 1.533 0.309 0 CA-C-O 117.819 -1.086 . . . . 10.0 113.163 -178.977 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 56' ' ' VAL . . . . . 0.487 HG22 ' HA ' ' A' ' 94' ' ' SER . 22.6 t -55.58 -52.22 49.69 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.076 0 CA-C-N 120.431 1.468 . . . . 10.0 111.052 -177.455 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 57' ' ' THR . . . . . . . . . . . . . 31.8 m -59.99 -50.44 73.75 Favored 'General case' 0 N--CA 1.473 0.721 0 C-N-CA 124.976 1.311 . . . . 10.0 111.636 177.681 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 21.7 m -62.32 -38.4 89.29 Favored 'General case' 0 N--CA 1.472 0.627 0 C-N-CA 124.088 0.955 . . . . 10.0 112.569 179.676 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 59' ' ' CYS . . . . . . . . . . . . . 39.5 t -59.56 -50.05 75.41 Favored 'General case' 0 CA--C 1.534 0.355 0 C-N-CA 126.631 1.972 . . . . 10.0 112.253 173.427 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 60' ' ' VAL . . . . . . . . . . . . . 52.0 t -53.95 -50.01 56.14 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.028 0 CA-C-N 119.17 0.895 . . . . 10.0 111.37 171.74 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 61' ' ' ASN . . . . . . . . . . . . . 20.9 m-80 -58.79 -46.11 88.31 Favored 'General case' 0 CA--C 1.545 0.773 0 C-N-CA 124.58 1.152 . . . . 10.0 113.192 176.46 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -61.0 -47.58 85.82 Favored 'General case' 0 CA--C 1.537 0.479 0 C-N-CA 124.177 0.991 . . . . 10.0 111.271 175.179 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 63' ' ' THR . . . . . . . . . . . . . 31.0 m -55.18 -49.03 72.92 Favored 'General case' 0 N--CA 1.471 0.605 0 C-N-CA 125.287 1.435 . . . . 10.0 111.532 177.215 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 64' ' ' GLN . . . . . . . . . . . . . 66.5 mt-30 -49.56 -60.35 2.94 Favored 'General case' 0 N--CA 1.47 0.559 0 C-N-CA 124.821 1.248 . . . . 10.0 112.006 170.865 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -56.7 -42.05 78.43 Favored 'General case' 0 CA--C 1.544 0.724 0 C-N-CA 125.633 1.573 . . . . 10.0 113.817 -178.735 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -70.21 -46.5 64.41 Favored 'General case' 0 CA--C 1.54 0.574 0 C-N-CA 124.792 1.237 . . . . 10.0 113.879 -179.856 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 67' ' ' ASN . . . . . . . . . . . . . 9.7 m-80 -109.22 38.87 2.19 Favored 'General case' 0 CA--C 1.544 0.726 0 C-N-CA 124.445 1.098 . . . . 10.0 112.199 -169.692 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 68' ' ' GLN . . . . . . . . . . . . . 57.1 mt-30 -51.35 -48.07 62.57 Favored 'General case' 0 N--CA 1.471 0.622 0 C-N-CA 125.534 1.533 . . . . 10.0 112.912 -178.256 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -56.48 -46.33 80.49 Favored 'General case' 0 CA--C 1.543 0.684 0 C-N-CA 125.003 1.321 . . . . 10.0 113.32 179.724 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 8.1 mm-40 -56.07 -55.26 35.1 Favored 'General case' 0 N--CA 1.473 0.697 0 C-N-CA 124.986 1.314 . . . . 10.0 111.234 177.805 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 71' ' ' PHE . . . . . . . . . . . . . 25.2 m-85 -59.62 -50.58 73.33 Favored 'General case' 0 CA--C 1.536 0.441 0 C-N-CA 123.95 0.9 . . . . 10.0 112.0 176.603 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 70.4 m -54.61 -50.71 67.43 Favored 'General case' 0 N--CA 1.474 0.763 0 C-N-CA 125.206 1.403 . . . . 10.0 113.231 -179.487 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 73' ' ' ARG . . . . . . . . . . . . . 26.1 mtm105 -58.25 -53.55 57.06 Favored 'General case' 0 N--CA 1.475 0.818 0 C-N-CA 124.551 1.14 . . . . 10.0 112.41 177.017 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 42.1 mm-40 -69.45 -59.55 2.91 Favored 'General case' 0 CA--C 1.541 0.612 0 C-N-CA 124.28 1.032 . . . . 10.0 113.742 -175.896 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 85.5 tttt -46.17 -35.05 4.74 Favored 'General case' 0 N--CA 1.481 1.12 0 C-N-CA 127.65 2.38 . . . . 10.0 116.167 -169.701 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 76' ' ' GLN . . . . . . . . . . . . . 87.4 mm-40 -54.98 -27.61 45.35 Favored 'General case' 0 CA--C 1.546 0.802 0 C-N-CA 124.871 1.268 . . . . 10.0 114.252 176.999 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 32.2 t70 -135.76 -40.31 0.7 Allowed 'General case' 0 N--CA 1.475 0.778 0 C-N-CA 125.502 1.521 . . . . 10.0 113.549 -178.907 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -78.59 61.38 2.92 Favored 'General case' 0 CA--C 1.545 0.763 0 C-N-CA 127.714 2.406 . . . . 10.0 113.288 -169.993 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 88.0 tttt -53.75 -55.03 29.91 Favored 'General case' 0 N--CA 1.476 0.873 0 C-N-CA 126.826 2.05 . . . . 10.0 112.869 -176.853 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -55.58 -49.97 71.33 Favored 'General case' 0 N--CA 1.472 0.647 0 C-N-CA 124.95 1.3 . . . . 10.0 111.08 177.502 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 81' ' ' HIS . . . . . . . . . . . . . 13.0 t-160 -53.36 -54.0 42.94 Favored 'General case' 0 N--CA 1.468 0.451 0 C-N-CA 124.132 0.973 . . . . 10.0 112.147 -179.65 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 82' ' ' GLN . . . . . . . . . . . . . 93.7 mm-40 -50.87 -54.73 21.42 Favored 'General case' 0 N--CA 1.472 0.653 0 CA-C-N 118.891 0.769 . . . . 10.0 112.389 179.182 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 83' ' ' ARG . . . . . . . . . . . . . 3.6 tmt_? -50.59 -55.02 18.18 Favored 'General case' 0 N--CA 1.474 0.771 0 C-N-CA 125.043 1.337 . . . . 10.0 111.745 179.81 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 84' ' ' VAL . . . . . . . . . . . . . 44.7 t -60.43 -51.95 67.07 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.975 0 C-N-CA 126.085 1.754 . . . . 10.0 111.475 177.553 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 85' ' ' LEU . . . . . . . . . . . . . 50.3 tp -55.22 -49.19 72.59 Favored 'General case' 0 CA--C 1.537 0.478 0 C-N-CA 126.112 1.765 . . . . 10.0 112.722 179.016 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 86' ' ' TRP . . . . . . . . . . . . . 71.7 m95 -61.09 -42.63 98.86 Favored 'General case' 0 N--CA 1.468 0.471 0 N-CA-C 113.663 0.986 . . . . 10.0 113.663 175.678 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 87' ' ' ARG . . . . . . . . . . . . . 13.8 tpt180 -55.88 -50.21 71.26 Favored 'General case' 0 N--CA 1.475 0.778 0 CA-C-N 118.591 0.632 . . . . 10.0 111.267 169.895 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 88' ' ' LEU . . . . . . . . . . . . . 2.2 tt -55.55 -52.37 63.96 Favored 'General case' 0 CA--C 1.544 0.747 0 C-N-CA 124.78 1.232 . . . . 10.0 111.958 176.38 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 89' ' ' ILE . . . . . . . . . . . . . 72.9 mt -50.39 -51.05 19.64 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.703 0 C-N-CA 124.813 1.245 . . . . 10.0 110.938 173.742 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 39.4 ttmt -59.75 -44.84 93.65 Favored 'General case' 0 N--CA 1.472 0.66 0 C-N-CA 124.068 0.947 . . . . 10.0 113.27 176.242 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 76.7 mm-40 -52.24 -50.1 62.69 Favored 'General case' 0 N--CA 1.474 0.727 0 CA-C-N 119.74 1.154 . . . . 10.0 111.803 171.061 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 92' ' ' ILE . . . . . . . . . . . . . 97.4 mt -58.28 -56.23 17.41 Favored 'Isoleucine or valine' 0 N--CA 1.479 0.976 0 CA-C-N 119.422 1.01 . . . . 10.0 111.463 174.274 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 93' ' ' CYS . . . . . . . . . . . . . 92.4 m -56.74 -43.21 80.47 Favored 'General case' 0 CA--C 1.545 0.755 0 C-N-CA 124.715 1.206 . . . . 10.0 112.898 -177.399 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 94' ' ' SER . . . . . 0.487 ' HA ' HG22 ' A' ' 56' ' ' VAL . 78.9 p -71.43 -37.56 71.44 Favored 'General case' 0 N--CA 1.475 0.822 0 N-CA-C 114.219 1.192 . . . . 10.0 114.219 174.372 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . -64.16 -52.08 60.77 Favored 'General case' 0 CA--C 1.541 0.602 0 C-N-CA 124.324 1.049 . . . . 10.0 113.24 177.63 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 96' ' ' LYS . . . . . . . . . . . . . 6.9 ptmm? -60.51 136.08 57.94 Favored 'General case' 0 N--CA 1.478 0.956 0 C-N-CA 123.871 0.869 . . . . 10.0 112.792 -174.055 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 97' ' ' HIS . . . . . . . . . . . . . 10.7 m80 -124.37 168.24 13.29 Favored 'General case' 0 N--CA 1.481 1.082 0 C-N-CA 126.5 1.92 . . . . 10.0 113.254 -172.185 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 98' ' ' CYS . . . . . . . . . . . . . 57.2 m -127.64 138.03 52.71 Favored 'General case' 0 CA--C 1.538 0.512 0 C-N-CA 126.213 1.805 . . . . 10.0 111.857 -179.479 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 99' ' ' ASP . . . . . . . . . . . . . 31.5 t70 -57.97 -45.15 87.17 Favored 'General case' 0 N--CA 1.472 0.642 0 C-N-CA 125.423 1.489 . . . . 10.0 113.697 -173.177 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 100' ' ' PHE . . . . . . . . . . . . . 9.3 p90 -72.18 -12.13 61.04 Favored 'General case' 0 CA--C 1.542 0.671 0 N-CA-C 115.231 1.567 . . . . 10.0 115.231 -175.379 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 101' ' ' TRP . . . . . . . . . . . . . 32.3 m0 . . . . . 0 N--CA 1.474 0.763 0 CA-C-N 119.995 1.271 . . . . 10.0 112.792 -176.937 . . . . . . . . 0 0 . 1 . 016 nuclear nobuild core ' A' A ' 5' ' ' ASN . . . . . . . . . . . . . 49.2 t30 . . . . . 0 CA--C 1.55 0.952 0 CA-C-O 121.584 0.707 . . . . 10.0 111.804 . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild core ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 12.3 ptp180 -76.28 151.14 83.34 Favored Pre-proline 0 N--CA 1.477 0.888 0 C-N-CA 124.901 1.281 . . . . 10.0 111.745 171.3 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 7' ' ' PRO . . . . . . . . . . . . . 74.0 Cg_exo -48.84 121.12 6.15 Favored 'Trans proline' 0 CA--C 1.539 0.75 0 C-N-CA 123.403 2.735 . . . . 10.0 112.341 172.377 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . 112.4 -18.16 23.24 Favored Glycine 0 CA--C 1.538 1.477 0 C-N-CA 126.597 2.046 . . . . 10.0 114.462 -170.482 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -61.36 134.11 56.56 Favored 'General case' 0 CA--C 1.546 0.8 0 CA-C-N 119.609 1.704 . . . . 10.0 113.019 -174.055 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 10' ' ' PHE . . . . . . . . . . . . . 23.0 m-85 -61.54 150.84 34.74 Favored 'General case' 0 CA--C 1.542 0.669 0 C-N-CA 124.042 0.937 . . . . 10.0 112.884 175.027 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 81.6 mt -123.94 116.27 47.49 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.426 0 C-N-CA 125.8 1.64 . . . . 10.0 106.836 169.655 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 92.3 mttt -123.68 106.89 10.91 Favored 'General case' 0 N--CA 1.472 0.659 0 C-N-CA 126.496 1.918 . . . . 10.0 110.284 -172.918 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 34.3 mt-30 -120.55 -0.89 10.19 Favored 'General case' 0 CA--C 1.545 0.763 0 C-N-CA 128.097 2.559 . . . . 10.0 112.595 -169.972 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . 66.75 37.17 92.17 Favored Glycine 0 CA--C 1.535 1.306 0 C-N-CA 125.133 1.349 . . . . 10.0 112.786 -174.116 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 33.0 ttp85 -103.91 93.96 5.16 Favored 'General case' 0 N--CA 1.471 0.62 0 C-N-CA 126.192 1.797 . . . . 10.0 110.893 -171.476 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 72.6 tttt -64.32 124.08 20.8 Favored 'General case' 0 N--CA 1.473 0.7 0 C-N-CA 125.765 1.626 . . . . 10.0 110.17 174.217 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 2.7 pp -134.5 165.91 24.09 Favored 'General case' 0 N--CA 1.474 0.736 0 C-N-CA 124.734 1.214 . . . . 10.0 113.569 -174.494 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 22.3 t70 -100.08 106.94 18.73 Favored 'General case' 0 CA--C 1.543 0.707 0 C-N-CA 124.711 1.205 . . . . 10.0 113.261 -169.663 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . 73.4 mt -135.78 131.13 50.12 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.778 0 C-N-CA 127.43 2.292 . . . . 10.0 108.076 172.409 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 22.4 t0 -87.48 85.45 7.12 Favored 'General case' 0 N--CA 1.471 0.577 0 CA-C-O 121.982 0.896 . . . . 10.0 110.683 171.457 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 21' ' ' PHE . . . . . . . . . . . . . 79.6 m-85 -63.48 -41.74 98.57 Favored 'General case' 0 CA--C 1.541 0.598 0 C-N-CA 126.725 2.01 . . . . 10.0 112.008 172.796 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 130.76 159.28 9.56 Favored Glycine 0 CA--C 1.532 1.139 0 C-N-CA 127.479 2.466 . . . . 10.0 110.303 -169.582 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -42.21 -57.11 2.64 Favored 'General case' 0 CA--C 1.547 0.851 0 N-CA-C 115.398 1.629 . . . . 10.0 115.398 -169.739 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 46.9 mt-10 -63.61 -48.04 78.96 Favored 'General case' 0 N--CA 1.474 0.773 0 C-N-CA 124.221 1.008 . . . . 10.0 112.284 178.754 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -65.17 -39.26 96.06 Favored Glycine 0 CA--C 1.532 1.142 0 C-N-CA 124.539 1.066 . . . . 10.0 114.183 -179.368 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 91.0 m-20 -57.11 -52.14 66.48 Favored 'General case' 0 CA--C 1.534 0.364 0 C-N-CA 125.995 1.718 . . . . 10.0 110.212 173.752 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 80.2 mtp180 -58.92 -46.47 87.84 Favored 'General case' 0 N--CA 1.474 0.751 0 C-N-CA 125.056 1.342 . . . . 10.0 111.691 176.103 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 28' ' ' TYR . . . . . . . . . . . . . 79.8 t80 -59.22 -54.62 44.77 Favored 'General case' 0 CA--C 1.536 0.415 0 C-N-CA 124.403 1.081 . . . . 10.0 111.976 178.106 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 29' ' ' TYR . . . . . . . . . . . . . 87.1 t80 -56.32 -51.4 68.38 Favored 'General case' 0 CA--C 1.535 0.39 0 C-N-CA 124.319 1.048 . . . . 10.0 112.324 175.662 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -51.1 -34.03 28.73 Favored 'General case' 0 CA--C 1.546 0.797 0 N-CA-C 113.678 0.992 . . . . 10.0 113.678 178.954 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -88.23 -28.55 21.07 Favored 'General case' 0 CA--C 1.552 1.035 0 C-N-CA 125.836 1.654 . . . . 10.0 115.087 176.026 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 32' ' ' ASN . . . . . . . . . . . . . 52.2 m-80 -124.41 12.47 8.75 Favored 'General case' 0 CA--C 1.548 0.9 0 N-CA-C 116.263 1.949 . . . . 10.0 116.263 -169.231 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 33' ' ' TYR . . . . . . . . . . . . . 53.4 p90 -47.91 -34.68 9.37 Favored 'General case' 0 N--CA 1.476 0.859 0 C-N-CA 126.828 2.051 . . . . 10.0 114.957 -177.21 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 34' ' ' TRP . . . . . . . . . . . . . 66.5 p-90 -49.89 -33.95 18.78 Favored 'General case' 0 CA--C 1.545 0.765 0 C-N-CA 126.356 1.862 . . . . 10.0 114.388 176.112 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 32.1 mt-30 -68.97 -38.58 79.45 Favored 'General case' 0 N--CA 1.472 0.654 0 C-N-CA 124.634 1.174 . . . . 10.0 113.756 177.575 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 36' ' ' PHE . . . . . . . . . . . . . 72.5 m-85 -73.64 151.6 89.24 Favored Pre-proline 0 CA--C 1.545 0.764 0 C-N-CA 126.161 1.784 . . . . 10.0 115.2 -169.008 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 83.1 Cg_endo -74.76 116.74 4.7 Favored 'Trans proline' 0 CA--C 1.537 0.652 0 C-N-CA 123.692 2.928 . . . . 10.0 108.898 168.798 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 4.2 p30 -80.57 -30.3 37.0 Favored 'General case' 0 N--CA 1.473 0.687 0 O-C-N 121.353 -0.842 . . . . 10.0 111.764 173.877 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . -124.55 167.42 16.88 Favored Glycine 0 CA--C 1.536 1.355 0 C-N-CA 125.037 1.303 . . . . 10.0 111.742 169.194 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 40' ' ' ILE . . . . . . . . . . . . . 86.0 mt -138.66 125.19 25.25 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.764 0 C-N-CA 124.947 1.299 . . . . 10.0 108.442 172.509 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 41' ' ' TYR . . . . . . . . . . . . . 75.0 t80 -71.85 102.94 3.0 Favored 'General case' 0 CA--C 1.536 0.424 0 C-N-CA 123.695 0.798 . . . . 10.0 109.832 169.892 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 42' ' ' TYR . . . . . . . . . . . . . 87.4 t80 -156.61 137.56 13.51 Favored 'General case' 0 C--O 1.236 0.361 0 C-N-CA 124.878 1.271 . . . . 10.0 110.172 173.171 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 45.4 mt-10 -133.01 76.16 1.67 Allowed 'General case' 0 CA--C 1.54 0.558 0 C-N-CA 125.569 1.548 . . . . 10.0 110.494 -175.245 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . -72.48 -30.42 64.48 Favored Glycine 0 CA--C 1.535 1.293 0 C-N-CA 125.091 1.329 . . . . 10.0 114.235 -179.782 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 45' ' ' CYS . . . . . . . . . . . . . 74.7 m -58.29 121.14 10.04 Favored 'General case' 0 CA--C 1.543 0.688 0 C-N-CA 125.858 1.663 . . . . 10.0 112.796 -178.137 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 16.5 p -139.94 -59.47 0.55 Allowed 'General case' 0 N--CA 1.473 0.693 0 C-N-CA 126.189 1.796 . . . . 10.0 111.855 176.912 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 11.9 pt-20 -144.91 156.1 43.8 Favored 'General case' 0 N--CA 1.473 0.693 0 C-N-CA 125.679 1.592 . . . . 10.0 112.79 179.679 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -55.05 -23.02 18.02 Favored 'General case' 0 CA--C 1.543 0.704 0 N-CA-C 115.742 1.756 . . . . 10.0 115.742 -175.414 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 73.9 m-20 -59.57 -31.39 69.4 Favored 'General case' 0 CA--C 1.545 0.77 0 C-N-CA 123.774 0.83 . . . . 10.0 112.944 171.943 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . 60.4 t -67.84 109.88 1.75 Allowed 'Isoleucine or valine' 0 N--CA 1.474 0.758 0 C-N-CA 124.717 1.207 . . . . 10.0 109.345 169.89 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 41.9 p -80.7 172.01 14.3 Favored 'General case' 0 N--CA 1.475 0.784 0 C-N-CA 123.591 0.756 . . . . 10.0 111.513 174.452 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 83.8 tttt -60.53 -49.56 77.08 Favored 'General case' 0 N--CA 1.471 0.599 0 O-C-N 121.368 -0.832 . . . . 10.0 111.429 169.823 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 44.4 mt-10 -51.58 -47.77 63.39 Favored 'General case' 0 N--CA 1.473 0.705 0 C-N-CA 123.849 0.86 . . . . 10.0 112.216 175.756 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 54' ' ' MET . . . . . . . . . . . . . 94.8 mtp -55.29 -55.61 29.49 Favored 'General case' 0 N--CA 1.469 0.485 0 C-N-CA 124.098 0.959 . . . . 10.0 112.228 171.303 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 9.5 tt -58.54 -54.02 51.79 Favored 'General case' 0 N--CA 1.466 0.374 0 C-N-CA 123.954 0.901 . . . . 10.0 112.883 -177.746 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 29.3 t -58.87 -45.98 91.42 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.922 0 C-N-CA 124.034 0.934 . . . . 10.0 110.732 -177.238 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 57' ' ' THR . . . . . . . . . . . . . 61.4 m -57.62 -51.75 68.25 Favored 'General case' 0 N--CA 1.477 0.886 0 C-N-CA 124.367 1.067 . . . . 10.0 111.919 172.77 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 48.6 m -60.2 -40.93 91.81 Favored 'General case' 0 N--CA 1.474 0.75 0 C-N-CA 124.522 1.129 . . . . 10.0 112.683 179.057 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 59' ' ' CYS . . . . . . . . . . . . . 43.0 t -59.39 -50.24 74.74 Favored 'General case' 0 CA--C 1.536 0.436 0 C-N-CA 126.204 1.801 . . . . 10.0 112.381 172.991 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 60' ' ' VAL . . . . . . . . . . . . . 39.9 t -56.34 -43.84 78.26 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.95 0 C-N-CA 124.488 1.115 . . . . 10.0 111.785 172.638 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 61' ' ' ASN . . . . . . . . . . . . . 12.6 m-80 -61.31 -47.27 86.71 Favored 'General case' 0 CA--C 1.544 0.724 0 C-N-CA 124.414 1.086 . . . . 10.0 112.956 173.26 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -60.09 -46.5 89.4 Favored 'General case' 0 CA--C 1.537 0.473 0 C-N-CA 124.251 1.02 . . . . 10.0 111.496 175.968 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 63' ' ' THR . . . . . . . . . . . . . 30.9 m -55.04 -50.94 67.84 Favored 'General case' 0 N--CA 1.473 0.695 0 C-N-CA 125.264 1.425 . . . . 10.0 111.369 176.356 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 64' ' ' GLN . . . . . . . . . . . . . 42.2 mt-30 -51.21 -59.49 4.14 Favored 'General case' 0 CA--C 1.539 0.533 0 C-N-CA 124.222 1.009 . . . . 10.0 111.663 171.927 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -55.7 -42.85 75.83 Favored 'General case' 0 CA--C 1.544 0.727 0 C-N-CA 126.06 1.744 . . . . 10.0 113.971 -177.405 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -69.26 -34.95 75.56 Favored 'General case' 0 CA--C 1.544 0.716 0 C-N-CA 124.692 1.197 . . . . 10.0 113.984 178.543 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 67' ' ' ASN . . . . . . . . . . . . . 11.5 m-80 -122.68 41.09 3.53 Favored 'General case' 0 CA--C 1.548 0.899 0 C-N-CA 124.281 1.032 . . . . 10.0 112.568 -170.2 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 68' ' ' GLN . . . . . . . . . . . . . 61.4 mt-30 -55.63 -54.14 47.78 Favored 'General case' 0 N--CA 1.475 0.776 0 C-N-CA 125.398 1.479 . . . . 10.0 112.923 -174.468 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -55.89 -45.82 78.49 Favored 'General case' 0 CA--C 1.541 0.598 0 C-N-CA 124.828 1.251 . . . . 10.0 112.612 -179.677 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 21.7 mp0 -57.19 -54.58 45.13 Favored 'General case' 0 CA--C 1.537 0.47 0 C-N-CA 125.688 1.595 . . . . 10.0 111.381 -179.631 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 71' ' ' PHE . . . . . . . . . . . . . 47.2 m-85 -58.93 -53.17 61.38 Favored 'General case' 0 N--CA 1.468 0.451 0 C-N-CA 123.687 0.795 . . . . 10.0 112.264 174.043 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 32.2 t -52.11 -57.77 8.57 Favored 'General case' 0 N--CA 1.469 0.518 0 C-N-CA 125.352 1.461 . . . . 10.0 112.638 -177.357 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 73' ' ' ARG . . . . . . . . . . . . . 76.2 mtp85 -56.9 -49.08 76.66 Favored 'General case' 0 N--CA 1.476 0.833 0 C-N-CA 125.831 1.652 . . . . 10.0 112.664 179.942 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 50.9 tp10 -57.92 -55.24 37.43 Favored 'General case' 0 CA--C 1.543 0.682 0 C-N-CA 124.903 1.281 . . . . 10.0 111.913 177.654 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 61.3 tttm -58.4 -19.84 39.32 Favored 'General case' 0 N--CA 1.475 0.814 0 C-N-CA 127.115 2.166 . . . . 10.0 115.109 -176.707 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 76' ' ' GLN . . . . . . . . . . . . . 76.9 mm-40 -55.53 -36.09 66.39 Favored 'General case' 0 N--CA 1.476 0.858 0 CA-C-N 119.514 1.052 . . . . 10.0 113.175 172.966 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 31.8 t70 -126.01 -41.42 1.95 Allowed 'General case' 0 CA--C 1.542 0.66 0 C-N-CA 125.552 1.541 . . . . 10.0 113.056 -174.467 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 1.8 t -66.65 145.13 55.9 Favored 'General case' 0 CA--C 1.537 0.476 0 C-N-CA 125.451 1.5 . . . . 10.0 113.536 -175.798 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 65.4 tttm -121.33 -77.76 0.59 Allowed 'General case' 0 N--CA 1.476 0.844 0 C-N-CA 125.838 1.655 . . . . 10.0 111.944 -178.104 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 51.8 tp -56.3 -40.91 75.08 Favored 'General case' 0 N--CA 1.473 0.702 0 C-N-CA 124.801 1.241 . . . . 10.0 112.654 -177.83 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 81' ' ' HIS . . . . . . . . . . . . . 13.9 t-160 -49.78 -51.66 37.67 Favored 'General case' 0 N--CA 1.47 0.535 0 C-N-CA 123.916 0.887 . . . . 10.0 112.252 -178.523 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 82' ' ' GLN . . . . . . . . . . . . . 99.2 mm-40 -50.49 -54.39 22.59 Favored 'General case' 0 N--CA 1.472 0.634 0 C-N-CA 124.682 1.193 . . . . 10.0 112.118 177.999 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 83' ' ' ARG . . . . . . . . . . . . . 53.2 tpt85 -53.27 -47.22 69.3 Favored 'General case' 0 N--CA 1.477 0.9 0 C-N-CA 124.876 1.27 . . . . 10.0 112.973 -179.765 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 84' ' ' VAL . . . . . . . . . . . . . 25.2 t -67.27 -52.65 40.33 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.864 0 C-N-CA 125.959 1.703 . . . . 10.0 110.939 177.088 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 85' ' ' LEU . . . . . . . . . . . . . 56.1 tp -54.46 -51.32 65.35 Favored 'General case' 0 N--CA 1.467 0.422 0 C-N-CA 127.096 2.158 . . . . 10.0 112.559 -179.568 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 86' ' ' TRP . . . . . . . . . . . . . 73.7 m95 -60.72 -43.63 97.63 Favored 'General case' 0 N--CA 1.465 0.309 0 N-CA-C 113.456 0.91 . . . . 10.0 113.456 176.684 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 87' ' ' ARG . . . . . . . . . . . . . 13.8 tpt180 -54.23 -49.3 69.77 Favored 'General case' 0 N--CA 1.476 0.834 0 CA-C-N 118.981 0.809 . . . . 10.0 111.183 170.186 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 88' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -55.4 -51.26 67.44 Favored 'General case' 0 CA--C 1.545 0.752 0 C-N-CA 124.354 1.062 . . . . 10.0 112.145 175.851 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 89' ' ' ILE . . . . . . . . . . . . . 90.7 mt -52.61 -52.51 26.31 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.738 0 C-N-CA 124.683 1.193 . . . . 10.0 110.931 173.962 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 12.5 mptt -55.3 -48.31 74.28 Favored 'General case' 0 N--CA 1.476 0.832 0 CA-C-N 119.2 0.909 . . . . 10.0 113.057 174.871 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 62.5 mm-40 -54.22 -49.31 69.71 Favored 'General case' 0 N--CA 1.473 0.719 0 CA-C-N 119.462 1.028 . . . . 10.0 112.128 175.013 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 92' ' ' ILE . . . . . . . . . . . . . 96.7 mt -57.64 -52.71 54.08 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.863 0 C-N-CA 124.0 0.92 . . . . 10.0 111.364 173.629 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 93' ' ' CYS . . . . . . . . . . . . . 68.3 m -57.61 -41.13 80.64 Favored 'General case' 0 CA--C 1.546 0.824 0 C-N-CA 124.33 1.052 . . . . 10.0 112.689 179.72 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 33.1 t -60.05 -47.09 87.32 Favored 'General case' 0 N--CA 1.473 0.678 0 C-N-CA 126.373 1.869 . . . . 10.0 112.682 170.728 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . -60.52 -40.07 90.11 Favored 'General case' 0 CA--C 1.544 0.735 0 C-N-CA 125.425 1.49 . . . . 10.0 114.555 -175.218 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 96' ' ' LYS . . . . . . . . . . . . . 1.2 ptpm? -72.52 55.51 0.35 Allowed 'General case' 0 N--CA 1.485 1.321 0 C-N-CA 125.896 1.678 . . . . 10.0 113.948 -179.781 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 97' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -64.4 143.44 57.9 Favored 'General case' 0 N--CA 1.472 0.67 0 C-N-CA 126.889 2.076 . . . . 10.0 113.903 -179.173 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 98' ' ' CYS . . . . . . . . . . . . . 55.8 m -80.53 140.29 35.91 Favored 'General case' 0 CA--C 1.539 0.522 0 C-N-CA 123.635 0.774 . . . . 10.0 112.8 178.077 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 99' ' ' ASP . . . . . . . . . . . . . 32.1 t70 -62.48 -39.43 93.43 Favored 'General case' 0 CA--C 1.543 0.703 0 C-N-CA 124.866 1.266 . . . . 10.0 113.015 176.409 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 100' ' ' PHE . . . . . . . . . . . . . 7.0 p90 -69.15 -15.45 63.41 Favored 'General case' 0 CA--C 1.543 0.701 0 N-CA-C 115.449 1.648 . . . . 10.0 115.449 -177.12 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 101' ' ' TRP . . . . . . . . . . . . . 46.6 m0 . . . . . 0 N--CA 1.474 0.731 0 CA-C-N 119.917 1.235 . . . . 10.0 111.497 175.905 . . . . . . . . 0 0 . 1 . 017 nuclear nobuild core ' A' A ' 5' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER . . . . . 0 CA--C 1.547 0.838 0 CA-C-O 121.829 0.823 . . . . 10.0 109.478 . . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 7.9 ptm180 -69.66 159.89 81.95 Favored Pre-proline 0 N--CA 1.477 0.883 0 C-N-CA 125.099 1.36 . . . . 10.0 112.631 174.632 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 7' ' ' PRO . . . . . . . . . . . . . 87.9 Cg_exo -47.61 122.78 7.29 Favored 'Trans proline' 0 CA--C 1.538 0.683 0 C-N-CA 123.608 2.872 . . . . 10.0 112.326 169.915 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . 115.75 -21.22 12.71 Favored Glycine 0 CA--C 1.537 1.459 0 C-N-CA 127.326 2.393 . . . . 10.0 113.69 -169.851 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -60.44 134.44 57.07 Favored 'General case' 0 CA--C 1.546 0.807 0 CA-C-N 119.465 1.632 . . . . 10.0 113.462 -172.117 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 10' ' ' PHE . . . . . . . . . . . . . 20.5 m-85 -60.86 148.96 37.62 Favored 'General case' 0 CA--C 1.542 0.638 0 C-N-CA 124.156 0.982 . . . . 10.0 113.262 174.742 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 66.1 mt -122.45 97.22 4.63 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.504 0 C-N-CA 126.118 1.767 . . . . 10.0 107.111 169.654 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 93.0 mttt -92.17 85.44 5.46 Favored 'General case' 0 N--CA 1.473 0.697 0 C-N-CA 125.049 1.34 . . . . 10.0 111.197 -176.407 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 27.2 mt-30 -76.94 -27.75 54.96 Favored 'General case' 0 N--CA 1.473 0.676 0 C-N-CA 123.624 0.77 . . . . 10.0 111.339 169.729 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . 76.88 17.42 79.86 Favored Glycine 0 CA--C 1.536 1.369 0 C-N-CA 125.044 1.307 . . . . 10.0 113.993 -179.052 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 38.6 ttp180 -69.77 132.31 45.89 Favored 'General case' 0 N--CA 1.47 0.574 0 C-N-CA 126.562 1.945 . . . . 10.0 110.727 176.29 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 73.6 tttt -77.27 99.53 5.53 Favored 'General case' 0 N--CA 1.473 0.698 0 C-N-CA 124.983 1.313 . . . . 10.0 110.691 178.287 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 90.7 mt -74.1 174.89 8.03 Favored 'General case' 0 CA--C 1.544 0.748 0 C-N-CA 126.014 1.726 . . . . 10.0 112.854 -178.783 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 19.2 t0 -125.4 93.84 3.98 Favored 'General case' 0 CA--C 1.542 0.635 0 C-N-CA 125.94 1.696 . . . . 10.0 110.337 174.789 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . 85.7 mt -134.37 134.69 54.71 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.693 0 C-N-CA 127.411 2.285 . . . . 10.0 108.602 -179.11 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 24.2 t0 -85.97 101.12 12.62 Favored 'General case' 0 CA--C 1.537 0.474 0 CA-C-O 121.823 0.821 . . . . 10.0 109.226 169.247 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 21' ' ' PHE . . . . . . . . . . . . . 82.3 m-85 -80.41 -36.86 33.2 Favored 'General case' 0 CA--C 1.539 0.548 0 C-N-CA 126.594 1.957 . . . . 10.0 111.521 171.82 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 124.15 165.71 12.3 Favored Glycine 0 CA--C 1.534 1.259 0 C-N-CA 127.463 2.459 . . . . 10.0 110.698 -169.731 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -48.58 -47.14 39.88 Favored 'General case' 0 CA--C 1.545 0.788 0 N-CA-C 115.266 1.58 . . . . 10.0 115.266 -170.195 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 35.3 mt-10 -62.68 -55.45 26.69 Favored 'General case' 0 N--CA 1.473 0.687 0 C-N-CA 125.82 1.648 . . . . 10.0 111.498 175.333 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -68.69 -36.86 83.74 Favored Glycine 0 CA--C 1.528 0.894 0 C-N-CA 125.031 1.3 . . . . 10.0 114.141 -173.793 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 91.3 m-20 -57.26 -51.15 70.52 Favored 'General case' 0 CA--C 1.536 0.409 0 C-N-CA 125.476 1.511 . . . . 10.0 109.997 173.799 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 77.2 mtt85 -59.98 -47.48 85.66 Favored 'General case' 0 N--CA 1.477 0.876 0 C-N-CA 124.369 1.067 . . . . 10.0 112.127 175.462 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 28' ' ' TYR . . . . . . . . . . . . . 75.5 t80 -59.36 -54.42 46.99 Favored 'General case' 0 CA--C 1.536 0.435 0 C-N-CA 124.246 1.019 . . . . 10.0 112.407 178.526 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 29' ' ' TYR . . . . . . . . . . . . . 77.1 t80 -56.63 -50.94 70.55 Favored 'General case' 0 CA--C 1.533 0.323 0 C-N-CA 124.692 1.197 . . . . 10.0 112.104 177.785 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -49.65 -31.59 11.27 Favored 'General case' 0 CA--C 1.547 0.836 0 N-CA-C 114.089 1.144 . . . . 10.0 114.089 176.545 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -92.26 -25.93 18.39 Favored 'General case' 0 CA--C 1.552 1.04 0 C-N-CA 126.086 1.754 . . . . 10.0 115.17 176.812 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 32' ' ' ASN . . . . . . . . . . . . . 57.7 m-80 -124.96 6.76 7.98 Favored 'General case' 0 N--CA 1.478 0.97 0 N-CA-C 116.238 1.94 . . . . 10.0 116.238 -169.314 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 33' ' ' TYR . . . . . . . . . . . . . 52.3 p90 -45.04 -36.18 3.37 Favored 'General case' 0 N--CA 1.477 0.886 0 C-N-CA 127.461 2.304 . . . . 10.0 115.375 -176.841 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 34' ' ' TRP . . . . . . . . . . . . . 62.5 p-90 -49.83 -35.25 22.34 Favored 'General case' 0 CA--C 1.546 0.804 0 C-N-CA 126.466 1.906 . . . . 10.0 114.688 176.628 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 32.0 mt-30 -70.2 -35.47 73.95 Favored 'General case' 0 N--CA 1.475 0.819 0 N-CA-C 114.244 1.202 . . . . 10.0 114.244 179.139 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 36' ' ' PHE . . . . . . . . . . . . . 76.8 m-85 -72.65 155.05 91.27 Favored Pre-proline 0 CA--C 1.544 0.749 0 C-N-CA 126.331 1.852 . . . . 10.0 115.341 -168.945 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 83.8 Cg_endo -73.41 135.15 21.84 Favored 'Trans proline' 0 CA--C 1.541 0.861 0 C-N-CA 123.492 2.795 . . . . 10.0 110.241 169.457 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 5.4 t70 -86.08 -37.15 19.16 Favored 'General case' 0 CA--C 1.541 0.633 0 C-N-CA 124.875 1.27 . . . . 10.0 111.381 171.615 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . -133.19 173.93 20.84 Favored Glycine 0 CA--C 1.531 1.082 0 C-N-CA 125.788 1.661 . . . . 10.0 112.161 173.273 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 40' ' ' ILE . . . . . . . . . . . . . 96.1 mt -135.84 123.82 36.56 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.575 0 C-N-CA 125.216 1.406 . . . . 10.0 108.32 175.887 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 41' ' ' TYR . . . . . . . . . . . . . 85.9 t80 -70.44 105.7 3.15 Favored 'General case' 0 CA--C 1.535 0.375 0 C-N-CA 124.907 1.283 . . . . 10.0 109.704 172.695 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 42' ' ' TYR . . . . . . . . . . . . . 61.3 t80 -152.47 144.12 23.51 Favored 'General case' 0 CA--C 1.538 0.482 0 C-N-CA 123.773 0.829 . . . . 10.0 111.934 179.263 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 53.2 mt-10 -132.71 84.07 2.12 Favored 'General case' 0 N--CA 1.471 0.614 0 C-N-CA 125.806 1.643 . . . . 10.0 110.362 -176.83 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . -84.19 -56.84 2.48 Favored Glycine 0 CA--C 1.534 1.23 0 C-N-CA 124.961 1.267 . . . . 10.0 113.624 -176.466 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 45' ' ' CYS . . . . . . . . . . . . . 20.0 m -63.46 141.9 58.59 Favored 'General case' 0 CA--C 1.54 0.586 0 C-N-CA 125.524 1.53 . . . . 10.0 114.14 -176.24 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 50.5 p -145.52 -52.61 0.27 Allowed 'General case' 0 N--CA 1.471 0.62 0 C-N-CA 126.769 2.027 . . . . 10.0 111.362 178.343 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 11.2 pt-20 -139.63 162.14 35.82 Favored 'General case' 0 CA--C 1.542 0.65 0 C-N-CA 126.822 2.049 . . . . 10.0 112.454 178.58 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -51.3 -28.51 12.24 Favored 'General case' 0 CA--C 1.545 0.771 0 C-N-CA 126.56 1.944 . . . . 10.0 115.769 -174.891 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 72.0 m-20 -62.2 -29.82 70.64 Favored 'General case' 0 CA--C 1.546 0.798 0 C-N-CA 124.516 1.126 . . . . 10.0 113.503 175.515 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . 59.4 t -69.95 112.33 4.66 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.882 0 C-N-CA 124.627 1.171 . . . . 10.0 109.75 172.97 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 34.5 p -90.24 172.94 8.43 Favored 'General case' 0 N--CA 1.478 0.959 0 C-N-CA 123.862 0.865 . . . . 10.0 112.321 -179.842 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 82.2 tttt -62.27 -48.38 80.17 Favored 'General case' 0 N--CA 1.472 0.648 0 O-C-N 121.411 -0.806 . . . . 10.0 111.679 169.765 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 44.7 mt-10 -52.6 -46.22 66.87 Favored 'General case' 0 N--CA 1.473 0.677 0 C-N-CA 124.157 0.983 . . . . 10.0 112.072 175.65 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 54' ' ' MET . . . . . . . . . . . . . 94.0 mtp -55.82 -58.81 6.29 Favored 'General case' 0 CA--C 1.536 0.439 0 C-N-CA 124.121 0.968 . . . . 10.0 111.832 169.975 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 9.7 tt -58.18 -54.23 49.37 Favored 'General case' 0 CA--C 1.535 0.383 0 C-N-CA 124.253 1.021 . . . . 10.0 113.37 -174.729 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 84.5 t -56.03 -48.78 78.34 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.918 0 C-N-CA 124.947 1.299 . . . . 10.0 110.627 -177.312 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 57' ' ' THR . . . . . . . . . . . . . 35.4 m -61.63 -49.14 77.77 Favored 'General case' 0 N--CA 1.476 0.87 0 C-N-CA 124.761 1.225 . . . . 10.0 111.822 175.817 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 49.3 m -60.7 -37.61 82.24 Favored 'General case' 0 N--CA 1.472 0.643 0 C-N-CA 124.206 1.003 . . . . 10.0 112.591 178.286 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 59' ' ' CYS . . . . . . . . . . . . . 31.6 t -58.12 -50.39 73.66 Favored 'General case' 0 CA--C 1.538 0.518 0 C-N-CA 125.951 1.7 . . . . 10.0 112.425 171.58 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 60' ' ' VAL . . . . . . . . . . . . . 50.6 t -56.31 -43.53 77.22 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.122 0 O-C-N 121.172 -0.955 . . . . 10.0 111.96 173.19 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 61' ' ' ASN . . . . . . . . . . . . . 19.2 m-80 -63.29 -46.5 86.46 Favored 'General case' 0 CA--C 1.544 0.739 0 C-N-CA 124.481 1.113 . . . . 10.0 112.967 174.43 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -60.65 -45.13 95.24 Favored 'General case' 0 CA--C 1.537 0.472 0 C-N-CA 124.554 1.141 . . . . 10.0 111.488 176.271 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 63' ' ' THR . . . . . . . . . . . . . 29.1 m -55.78 -48.59 75.05 Favored 'General case' 0 N--CA 1.472 0.632 0 C-N-CA 125.16 1.384 . . . . 10.0 111.558 177.072 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 64' ' ' GLN . . . . . . . . . . . . . 42.6 mt-30 -51.24 -59.22 4.44 Favored 'General case' 0 N--CA 1.469 0.487 0 C-N-CA 124.108 0.963 . . . . 10.0 111.666 171.463 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -56.36 -42.82 78.42 Favored 'General case' 0 CA--C 1.546 0.789 0 C-N-CA 125.898 1.679 . . . . 10.0 114.025 -178.221 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -68.8 -42.71 76.96 Favored 'General case' 0 CA--C 1.542 0.639 0 C-N-CA 125.044 1.338 . . . . 10.0 114.022 178.377 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 67' ' ' ASN . . . . . . . . . . . . . 8.4 m-80 -114.89 37.27 3.52 Favored 'General case' 0 CA--C 1.544 0.718 0 C-N-CA 124.21 1.004 . . . . 10.0 112.583 -169.849 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 68' ' ' GLN . . . . . . . . . . . . . 60.3 mt-30 -50.16 -52.77 32.63 Favored 'General case' 0 N--CA 1.474 0.744 0 C-N-CA 125.921 1.688 . . . . 10.0 112.224 -179.342 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -51.55 -52.01 50.69 Favored 'General case' 0 CA--C 1.54 0.575 0 C-N-CA 125.286 1.434 . . . . 10.0 112.742 178.538 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 6.4 mm-40 -57.19 -48.21 79.34 Favored 'General case' 0 N--CA 1.473 0.693 0 C-N-CA 124.996 1.318 . . . . 10.0 112.847 -179.259 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 71' ' ' PHE . . . . . . . . . . . . . 37.0 m-85 -60.67 -58.26 9.23 Favored 'General case' 0 CA--C 1.537 0.472 0 C-N-CA 122.797 0.439 . . . . 10.0 111.409 174.27 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 66.7 m -56.11 -51.51 67.67 Favored 'General case' 0 N--CA 1.472 0.643 0 C-N-CA 125.231 1.412 . . . . 10.0 114.047 -176.551 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 73' ' ' ARG . . . . . . . . . . . . . 7.1 ppt_? -58.84 -46.13 88.41 Favored 'General case' 0 N--CA 1.479 0.993 0 C-N-CA 124.605 1.162 . . . . 10.0 113.142 -176.472 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 18.2 mt-10 -64.98 -52.12 57.98 Favored 'General case' 0 N--CA 1.467 0.416 0 C-N-CA 123.822 0.849 . . . . 10.0 112.851 173.25 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 58.5 tptt -48.41 -26.67 2.2 Favored 'General case' 0 N--CA 1.482 1.143 0 C-N-CA 126.875 2.07 . . . . 10.0 115.188 -175.33 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 76' ' ' GLN . . . . . . . . . . . . . 73.0 mm-40 -53.34 -32.45 49.16 Favored 'General case' 0 CA--C 1.546 0.803 0 C-N-CA 124.711 1.204 . . . . 10.0 113.8 172.873 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 32.1 t70 -135.25 -44.27 0.7 Allowed 'General case' 0 CA--C 1.545 0.766 0 C-N-CA 126.061 1.744 . . . . 10.0 113.223 -176.051 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 6.8 t -62.19 135.97 57.73 Favored 'General case' 0 N--CA 1.47 0.545 0 C-N-CA 126.546 1.939 . . . . 10.0 112.647 -179.499 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 40.3 ttpt -120.4 -76.38 0.58 Allowed 'General case' 0 N--CA 1.476 0.837 0 C-N-CA 125.817 1.647 . . . . 10.0 111.751 -174.337 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 42.6 tp -57.74 -38.18 74.89 Favored 'General case' 0 N--CA 1.471 0.611 0 C-N-CA 124.508 1.123 . . . . 10.0 112.851 -177.288 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 81' ' ' HIS . . . . . . . . . . . . . 16.9 t-160 -50.43 -48.57 56.25 Favored 'General case' 0 N--CA 1.471 0.577 0 CA-C-N 118.959 0.8 . . . . 10.0 112.55 -178.886 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 82' ' ' GLN . . . . . . . . . . . . . 87.8 mm-40 -51.73 -52.67 46.75 Favored 'General case' 0 N--CA 1.471 0.601 0 C-N-CA 124.641 1.176 . . . . 10.0 111.974 -179.89 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 83' ' ' ARG . . . . . . . . . . . . . 76.6 mtp180 -51.13 -55.37 18.12 Favored 'General case' 0 N--CA 1.48 1.065 0 C-N-CA 125.453 1.501 . . . . 10.0 111.748 178.006 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 84' ' ' VAL . . . . . . . . . . . . . 18.8 t -60.45 -52.93 55.71 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.807 0 C-N-CA 126.086 1.755 . . . . 10.0 111.121 178.801 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 85' ' ' LEU . . . . . . . . . . . . . 49.0 tp -54.31 -49.8 68.83 Favored 'General case' 0 CA--C 1.538 0.49 0 C-N-CA 126.5 1.92 . . . . 10.0 112.619 178.706 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 86' ' ' TRP . . . . . . . . . . . . . 68.0 m95 -61.81 -43.31 99.11 Favored 'General case' 0 N--CA 1.469 0.523 0 N-CA-C 113.845 1.054 . . . . 10.0 113.845 176.363 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 87' ' ' ARG . . . . . . . . . . . . . 26.2 tpt180 -55.17 -47.93 74.5 Favored 'General case' 0 N--CA 1.476 0.854 0 C-N-CA 123.529 0.732 . . . . 10.0 111.396 169.971 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 88' ' ' LEU . . . . . . . . . . . . . 1.3 tt -57.91 -54.39 47.45 Favored 'General case' 0 CA--C 1.546 0.794 0 C-N-CA 124.677 1.191 . . . . 10.0 112.139 175.117 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 89' ' ' ILE . . . . . . . . . . . . . 76.5 mt -50.14 -51.63 16.85 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.855 0 C-N-CA 125.202 1.401 . . . . 10.0 110.86 174.617 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 86.5 tttt -58.82 -45.59 89.64 Favored 'General case' 0 N--CA 1.469 0.482 0 C-N-CA 124.11 0.964 . . . . 10.0 112.747 177.198 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 18.4 mm-40 -56.64 -47.06 80.54 Favored 'General case' 0 CA--C 1.542 0.651 0 CA-C-N 119.73 1.15 . . . . 10.0 112.553 172.476 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 92' ' ' ILE . . . . . . . . . . . . . 93.3 mt -55.35 -55.9 14.45 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.958 0 C-N-CA 123.892 0.877 . . . . 10.0 110.791 172.224 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 93' ' ' CYS . . . . . . . . . . . . . 90.2 m -56.12 -46.83 79.02 Favored 'General case' 0 CA--C 1.543 0.708 0 C-N-CA 123.726 0.81 . . . . 10.0 112.164 179.032 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 57.5 m -57.78 -37.02 72.96 Favored 'General case' 0 N--CA 1.476 0.829 0 C-N-CA 126.132 1.773 . . . . 10.0 113.813 176.432 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . -66.11 -28.02 68.49 Favored 'General case' 0 CA--C 1.548 0.874 0 N-CA-C 113.97 1.1 . . . . 10.0 113.97 177.572 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 96' ' ' LYS . . . . . . . . . . . . . 41.8 mttm -59.97 120.07 8.96 Favored 'General case' 0 N--CA 1.477 0.92 0 C-N-CA 125.01 1.324 . . . . 10.0 111.83 -177.66 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 97' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -126.19 146.8 49.82 Favored 'General case' 0 N--CA 1.468 0.448 0 C-N-CA 126.696 1.998 . . . . 10.0 113.449 -174.036 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 98' ' ' CYS . . . . . . . . . . . . . 56.1 m -128.84 129.1 45.14 Favored 'General case' 0 N--CA 1.47 0.536 0 C-N-CA 124.863 1.265 . . . . 10.0 111.367 -177.25 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 99' ' ' ASP . . . . . . . . . . . . . 12.8 m-20 -57.58 -36.98 72.43 Favored 'General case' 0 N--CA 1.472 0.626 0 C-N-CA 125.36 1.464 . . . . 10.0 113.756 -174.006 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 100' ' ' PHE . . . . . . . . . . . . . 5.4 p90 -70.29 -15.76 62.93 Favored 'General case' 0 CA--C 1.542 0.653 0 N-CA-C 115.249 1.574 . . . . 10.0 115.249 -177.923 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 101' ' ' TRP . . . . . . . . . . . . . 43.9 m0 . . . . . 0 N--CA 1.472 0.663 0 CA-C-N 119.862 1.21 . . . . 10.0 111.981 179.686 . . . . . . . . 0 0 . 1 . 018 nuclear nobuild core ' A' A ' 5' ' ' ASN . . . . . . . . . . . . . 56.5 t30 . . . . . 0 CA--C 1.542 0.64 0 CA-C-O 122.733 1.254 . . . . 10.0 109.987 . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild core ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 67.2 mtm-85 -66.16 143.82 98.51 Favored Pre-proline 0 N--CA 1.475 0.81 0 C-N-CA 126.972 2.109 . . . . 10.0 111.391 178.165 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 7' ' ' PRO . . . . . . . . . . . . . 51.8 Cg_exo -53.79 116.09 2.78 Favored 'Trans proline' 0 CA--C 1.542 0.879 0 C-N-CA 122.656 2.237 . . . . 10.0 110.78 169.467 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . 112.62 -14.73 24.7 Favored Glycine 0 CA--C 1.538 1.515 0 C-N-CA 126.393 1.949 . . . . 10.0 114.223 -169.891 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -61.74 134.76 57.14 Favored 'General case' 0 CA--C 1.542 0.636 0 CA-C-N 119.803 1.801 . . . . 10.0 113.469 -171.135 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 10' ' ' PHE . . . . . . . . . . . . . 20.8 m-30 -58.06 145.56 36.03 Favored 'General case' 0 CA--C 1.539 0.554 0 C-N-CA 124.809 1.244 . . . . 10.0 112.69 171.135 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 57.8 mt -121.23 117.57 53.23 Favored 'Isoleucine or valine' 0 C--O 1.237 0.432 0 C-N-CA 125.71 1.604 . . . . 10.0 107.183 169.899 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 86.2 mttt -117.01 80.53 1.5 Allowed 'General case' 0 N--CA 1.472 0.649 0 C-N-CA 125.783 1.633 . . . . 10.0 110.04 -174.646 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 35.9 mt-30 -74.88 -42.38 57.98 Favored 'General case' 0 CA--C 1.538 0.5 0 C-N-CA 125.971 1.708 . . . . 10.0 110.481 171.932 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . 101.64 68.19 0.82 Allowed Glycine 0 CA--C 1.529 0.962 0 C-N-CA 125.682 1.61 . . . . 10.0 110.768 -178.154 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 43.8 ttp85 -135.55 109.32 8.07 Favored 'General case' 0 N--CA 1.47 0.538 0 C-N-CA 126.746 2.019 . . . . 10.0 110.295 -169.677 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 77.1 tttt -70.97 121.46 18.19 Favored 'General case' 0 N--CA 1.475 0.778 0 C-N-CA 125.658 1.583 . . . . 10.0 111.184 -177.636 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 73.6 mt -95.9 177.53 5.73 Favored 'General case' 0 CA--C 1.545 0.782 0 C-N-CA 125.882 1.673 . . . . 10.0 112.72 -175.524 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 18.2 t0 -126.99 90.4 3.15 Favored 'General case' 0 CA--C 1.543 0.684 0 C-N-CA 126.166 1.786 . . . . 10.0 110.819 179.855 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . 56.6 mt -136.01 130.23 48.38 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.746 0 C-N-CA 127.415 2.286 . . . . 10.0 108.482 -175.935 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 23.0 t0 -90.48 86.0 6.31 Favored 'General case' 0 CA--C 1.539 0.524 0 CA-C-O 121.959 0.885 . . . . 10.0 110.82 173.241 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 21' ' ' PHE . . . . . . . . . . . . . 80.0 m-85 -62.84 -42.58 99.8 Favored 'General case' 0 CA--C 1.54 0.576 0 C-N-CA 126.711 2.004 . . . . 10.0 111.778 171.077 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 133.32 154.48 7.45 Favored Glycine 0 CA--C 1.533 1.168 0 C-N-CA 127.914 2.673 . . . . 10.0 109.608 -169.69 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -40.11 -58.31 1.48 Allowed 'General case' 0 CA--C 1.547 0.864 0 N-CA-C 115.49 1.663 . . . . 10.0 115.49 -169.518 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 34.6 tt0 -66.57 -42.57 86.81 Favored 'General case' 0 CA--C 1.545 0.781 0 C-N-CA 124.15 0.98 . . . . 10.0 112.916 -179.698 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -66.12 -39.85 94.79 Favored Glycine 0 CA--C 1.535 1.295 0 C-N-CA 124.562 1.077 . . . . 10.0 113.847 176.679 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 86.1 m-20 -56.18 -50.34 71.47 Favored 'General case' 0 CA--C 1.535 0.366 0 C-N-CA 126.069 1.747 . . . . 10.0 110.313 172.306 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 66.8 mtp180 -58.81 -45.98 88.66 Favored 'General case' 0 N--CA 1.474 0.728 0 C-N-CA 125.115 1.366 . . . . 10.0 111.389 176.291 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 28' ' ' TYR . . . . . . . . . . . . . 74.7 t80 -60.03 -54.42 46.18 Favored 'General case' 0 CA--C 1.537 0.459 0 C-N-CA 124.059 0.944 . . . . 10.0 112.044 177.545 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 29' ' ' TYR . . . . . . . . . . . . . 85.2 t80 -55.2 -51.7 65.69 Favored 'General case' 0 CA--C 1.537 0.478 0 C-N-CA 124.164 0.985 . . . . 10.0 112.228 175.175 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -51.22 -36.48 41.86 Favored 'General case' 0 CA--C 1.546 0.793 0 C-N-CA 124.496 1.118 . . . . 10.0 113.802 178.587 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -86.83 -23.51 25.29 Favored 'General case' 0 CA--C 1.55 0.957 0 N-CA-C 115.009 1.485 . . . . 10.0 115.009 176.606 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 32' ' ' ASN . . . . . . . . . . . . . 60.6 m-80 -125.9 8.77 7.48 Favored 'General case' 0 CA--C 1.547 0.832 0 N-CA-C 116.475 2.028 . . . . 10.0 116.475 -169.227 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 33' ' ' TYR . . . . . . . . . . . . . 51.7 p90 -49.17 -29.1 5.02 Favored 'General case' 0 N--CA 1.479 0.98 0 C-N-CA 126.144 1.778 . . . . 10.0 115.217 -176.921 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 34' ' ' TRP . . . . . . . . . . . . . 63.7 p-90 -52.57 -35.75 54.51 Favored 'General case' 0 CA--C 1.546 0.816 0 C-N-CA 125.95 1.7 . . . . 10.0 114.367 171.994 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 29.5 mt-30 -69.99 -41.17 74.75 Favored 'General case' 0 N--CA 1.475 0.784 0 C-N-CA 124.147 0.979 . . . . 10.0 112.916 176.229 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 36' ' ' PHE . . . . . . . . . . . . . 86.9 m-85 -71.07 154.76 93.94 Favored Pre-proline 0 CA--C 1.547 0.835 0 C-N-CA 126.129 1.772 . . . . 10.0 114.385 -169.752 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 92.2 Cg_endo -74.0 131.9 16.14 Favored 'Trans proline' 0 CA--C 1.537 0.671 0 C-N-CA 123.665 2.91 . . . . 10.0 110.328 169.377 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 4.2 p30 -94.25 -30.03 14.78 Favored 'General case' 0 N--CA 1.473 0.676 0 O-C-N 121.326 -0.859 . . . . 10.0 111.758 170.024 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . -120.82 165.19 14.02 Favored Glycine 0 CA--C 1.536 1.401 0 C-N-CA 125.184 1.373 . . . . 10.0 111.772 169.204 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 40' ' ' ILE . . . . . . . . . . . . . 87.1 mt -136.46 123.89 33.11 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.841 0 C-N-CA 124.936 1.295 . . . . 10.0 108.828 171.688 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 41' ' ' TYR . . . . . . . . . . . . . 89.9 t80 -73.95 114.15 11.93 Favored 'General case' 0 CA--C 1.535 0.396 0 C-N-CA 124.943 1.297 . . . . 10.0 109.91 171.315 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 42' ' ' TYR . . . . . . . . . . . . . 40.6 t80 -153.94 153.18 31.56 Favored 'General case' 0 CA--C 1.541 0.624 0 C-N-CA 124.124 0.969 . . . . 10.0 111.606 176.875 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 47.2 mt-10 -126.75 59.95 1.37 Allowed 'General case' 0 N--CA 1.474 0.731 0 C-N-CA 125.845 1.658 . . . . 10.0 110.659 -174.102 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . -74.24 -31.55 59.24 Favored Glycine 0 CA--C 1.532 1.103 0 C-N-CA 125.06 1.314 . . . . 10.0 115.154 -174.716 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 45' ' ' CYS . . . . . . . . . . . . . 84.7 m -75.06 74.28 2.24 Favored 'General case' 0 CA--C 1.544 0.717 0 C-N-CA 125.285 1.434 . . . . 10.0 112.675 -174.657 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 23.0 t -77.6 -55.48 5.32 Favored 'General case' 0 CA--C 1.537 0.459 0 C-N-CA 125.282 1.433 . . . . 10.0 112.139 176.558 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 14.5 pt-20 -154.99 154.37 32.43 Favored 'General case' 0 N--CA 1.471 0.61 0 C-N-CA 125.13 1.372 . . . . 10.0 113.249 -169.837 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -52.11 -27.75 15.26 Favored 'General case' 0 CA--C 1.547 0.852 0 N-CA-C 115.11 1.522 . . . . 10.0 115.11 179.399 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 77.1 m-20 -65.96 -29.74 70.19 Favored 'General case' 0 CA--C 1.546 0.791 0 C-N-CA 124.689 1.196 . . . . 10.0 113.673 174.977 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . 0.8 OUTLIER -66.74 125.31 23.81 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.812 0 CA-C-N 119.502 1.046 . . . . 10.0 109.673 174.885 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 74.9 p -93.16 171.52 8.89 Favored 'General case' 0 N--CA 1.475 0.784 0 C-N-CA 124.571 1.148 . . . . 10.0 110.782 -179.98 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 85.6 tttt -57.97 -51.68 68.63 Favored 'General case' 0 N--CA 1.47 0.575 0 O-C-N 121.641 -0.662 . . . . 10.0 110.623 169.582 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 28.0 mm-40 -49.9 -50.37 46.38 Favored 'General case' 0 N--CA 1.473 0.707 0 C-N-CA 124.157 0.983 . . . . 10.0 112.256 177.363 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 54' ' ' MET . . . . . . . . . . . . . 60.0 mtm -60.08 -48.6 81.03 Favored 'General case' 0 CA--C 1.537 0.454 0 N-CA-C 112.99 0.737 . . . . 10.0 112.99 172.84 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 9.6 tt -59.4 -52.04 67.32 Favored 'General case' 0 N--CA 1.467 0.423 0 CA-C-N 119.664 1.12 . . . . 10.0 112.558 179.887 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 40.1 t -58.22 -48.62 84.22 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.917 0 C-N-CA 124.567 1.147 . . . . 10.0 110.78 -179.721 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 57' ' ' THR . . . . . . . . . . . . . 61.8 m -56.78 -51.33 69.33 Favored 'General case' 0 N--CA 1.477 0.916 0 C-N-CA 124.386 1.074 . . . . 10.0 111.794 174.669 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 45.3 m -62.35 -39.99 94.94 Favored 'General case' 0 N--CA 1.472 0.667 0 C-N-CA 124.264 1.025 . . . . 10.0 112.605 178.893 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 59' ' ' CYS . . . . . . . . . . . . . 44.7 t -58.47 -49.55 76.91 Favored 'General case' 0 CA--C 1.536 0.42 0 C-N-CA 126.217 1.807 . . . . 10.0 112.26 172.965 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 60' ' ' VAL . . . . . . . . . . . . . 44.0 t -54.94 -48.36 75.2 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.896 0 C-N-CA 124.317 1.047 . . . . 10.0 111.519 171.744 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 61' ' ' ASN . . . . . . . . . . . . . 17.8 m-80 -59.76 -44.94 93.61 Favored 'General case' 0 CA--C 1.546 0.796 0 C-N-CA 124.596 1.158 . . . . 10.0 113.476 175.223 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -61.0 -47.23 87.42 Favored 'General case' 0 CA--C 1.539 0.551 0 C-N-CA 124.265 1.026 . . . . 10.0 111.311 174.635 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 63' ' ' THR . . . . . . . . . . . . . 37.0 m -54.8 -49.72 70.29 Favored 'General case' 0 N--CA 1.47 0.555 0 C-N-CA 125.19 1.396 . . . . 10.0 111.655 177.078 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 64' ' ' GLN . . . . . . . . . . . . . 55.5 mt-30 -46.88 -60.31 2.51 Favored 'General case' 0 N--CA 1.474 0.751 0 C-N-CA 125.075 1.35 . . . . 10.0 111.976 172.28 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -56.19 -43.51 78.53 Favored 'General case' 0 CA--C 1.543 0.676 0 C-N-CA 125.403 1.481 . . . . 10.0 113.468 -179.55 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -74.53 -30.96 61.98 Favored 'General case' 0 CA--C 1.545 0.778 0 N-CA-C 115.207 1.558 . . . . 10.0 115.207 -176.775 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 67' ' ' ASN . . . . . . . . . . . . . 6.8 m-80 -125.34 39.38 3.98 Favored 'General case' 0 N--CA 1.48 1.054 0 CA-C-N 120.179 1.354 . . . . 10.0 113.214 -170.295 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 68' ' ' GLN . . . . . . . . . . . . . 70.5 mt-30 -51.81 -39.1 58.14 Favored 'General case' 0 N--CA 1.476 0.832 0 C-N-CA 126.345 1.858 . . . . 10.0 115.032 -172.559 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -51.42 -58.86 5.09 Favored 'General case' 0 CA--C 1.544 0.748 0 C-N-CA 125.216 1.406 . . . . 10.0 113.47 -176.614 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 44.1 mt-10 -62.81 -27.27 69.2 Favored 'General case' 0 N--CA 1.476 0.833 0 C-N-CA 123.907 0.883 . . . . 10.0 113.176 179.891 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 71' ' ' PHE . . . . . . . . . . . . . 13.5 m-85 -83.55 1.29 42.73 Favored 'General case' 0 CA--C 1.544 0.712 0 C-N-CA 124.862 1.265 . . . . 10.0 114.346 175.214 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 31.0 t -132.93 -58.8 0.9 Allowed 'General case' 0 N--CA 1.472 0.653 0 C-N-CA 124.637 1.175 . . . . 10.0 113.231 -170.694 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 73' ' ' ARG . . . . . . . . . . . . . 38.8 mmt180 -61.98 -52.04 65.63 Favored 'General case' 0 N--CA 1.475 0.786 0 C-N-CA 125.123 1.369 . . . . 10.0 112.926 -172.9 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 11.4 pt-20 -89.97 -25.25 20.98 Favored 'General case' 0 N--CA 1.475 0.816 0 N-CA-C 114.316 1.228 . . . . 10.0 114.316 -175.792 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 79.0 tttt -34.22 -52.74 0.48 Allowed 'General case' 0 N--CA 1.48 1.066 0 C-N-CA 128.803 2.841 . . . . 10.0 115.452 -174.116 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 76' ' ' GLN . . . . . . . . . . . . . 4.5 mp0 -54.88 -46.83 74.82 Favored 'General case' 0 CA--C 1.542 0.639 0 C-N-CA 125.892 1.677 . . . . 10.0 112.547 -175.017 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 33.1 t70 -84.62 -48.66 9.27 Favored 'General case' 0 CA--C 1.542 0.656 0 C-N-CA 125.122 1.369 . . . . 10.0 111.991 174.565 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 2.7 t -80.62 49.96 1.25 Allowed 'General case' 0 CA--C 1.543 0.698 0 C-N-CA 127.519 2.327 . . . . 10.0 112.787 -171.816 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 99.5 mttt -57.26 -55.3 36.5 Favored 'General case' 0 N--CA 1.476 0.85 0 C-N-CA 126.291 1.836 . . . . 10.0 112.848 -172.57 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 59.0 tp -56.53 -43.32 79.72 Favored 'General case' 0 N--CA 1.469 0.512 0 C-N-CA 124.691 1.196 . . . . 10.0 112.067 177.88 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 81' ' ' HIS . . . . . . . . . . . . . 17.0 t-160 -51.81 -51.56 55.56 Favored 'General case' 0 N--CA 1.468 0.428 0 CA-C-O 118.378 -0.82 . . . . 10.0 111.025 177.846 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 82' ' ' GLN . . . . . . . . . . . . . 95.3 mm-40 -51.57 -51.08 58.39 Favored 'General case' 0 N--CA 1.471 0.584 0 C-N-CA 123.84 0.856 . . . . 10.0 112.386 176.778 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 83' ' ' ARG . . . . . . . . . . . . . 47.5 mmt-85 -56.65 -55.02 39.34 Favored 'General case' 0 N--CA 1.479 1.012 0 C-N-CA 124.078 0.951 . . . . 10.0 111.972 -178.648 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 84' ' ' VAL . . . . . . . . . . . . . 44.9 t -59.75 -49.79 82.49 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.806 0 C-N-CA 125.689 1.595 . . . . 10.0 110.793 177.78 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 85' ' ' LEU . . . . . . . . . . . . . 50.4 tp -56.29 -49.72 73.47 Favored 'General case' 0 N--CA 1.469 0.482 0 C-N-CA 126.394 1.878 . . . . 10.0 112.501 178.301 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 86' ' ' TRP . . . . . . . . . . . . . 53.2 m95 -61.6 -44.24 97.37 Favored 'General case' 0 N--CA 1.468 0.467 0 N-CA-C 113.803 1.038 . . . . 10.0 113.803 175.672 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 87' ' ' ARG . . . . . . . . . . . . . 13.8 tpt180 -55.16 -50.58 68.94 Favored 'General case' 0 N--CA 1.473 0.697 0 CA-C-N 118.762 0.71 . . . . 10.0 111.081 171.196 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 88' ' ' LEU . . . . . . . . . . . . . 52.4 tp -55.95 -50.72 70.0 Favored 'General case' 0 CA--C 1.54 0.592 0 C-N-CA 124.472 1.109 . . . . 10.0 112.796 175.947 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 89' ' ' ILE . . . . . . . . . . . . . 62.9 mt -51.61 -51.22 27.34 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.684 0 C-N-CA 124.262 1.025 . . . . 10.0 110.632 174.143 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 94.5 mttt -58.31 -45.81 87.31 Favored 'General case' 0 N--CA 1.472 0.665 0 C-N-CA 124.212 1.005 . . . . 10.0 113.219 176.049 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 67.2 mm-40 -53.97 -50.71 65.91 Favored 'General case' 0 N--CA 1.474 0.743 0 CA-C-N 119.538 1.063 . . . . 10.0 112.046 171.686 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 92' ' ' ILE . . . . . . . . . . . . . 96.8 mt -58.65 -51.18 75.04 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.94 0 C-N-CA 124.383 1.073 . . . . 10.0 111.558 175.471 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 93' ' ' CYS . . . . . . . . . . . . . 66.5 m -57.36 -41.83 80.9 Favored 'General case' 0 CA--C 1.546 0.806 0 C-N-CA 124.505 1.122 . . . . 10.0 112.4 177.919 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 23.8 t -61.7 -45.22 94.93 Favored 'General case' 0 N--CA 1.474 0.73 0 C-N-CA 126.027 1.731 . . . . 10.0 112.747 171.318 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . -60.47 -48.32 82.26 Favored 'General case' 0 CA--C 1.543 0.688 0 C-N-CA 125.513 1.525 . . . . 10.0 113.713 -177.033 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 96' ' ' LYS . . . . . . . . . . . . . 1.5 ptpm? -61.72 139.73 58.28 Favored 'General case' 0 N--CA 1.481 1.117 0 C-N-CA 123.555 0.742 . . . . 10.0 111.701 173.79 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 97' ' ' HIS . . . . . . . . . . . . . 2.2 m-70 -138.02 167.49 21.67 Favored 'General case' 0 N--CA 1.479 1.014 0 C-N-CA 126.592 1.957 . . . . 10.0 112.04 -173.535 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 98' ' ' CYS . . . . . . . . . . . . . 33.7 m -112.04 131.49 55.39 Favored 'General case' 0 N--CA 1.469 0.511 0 C-N-CA 125.151 1.38 . . . . 10.0 111.652 174.78 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 99' ' ' ASP . . . . . . . . . . . . . 16.5 m-20 -60.32 -36.63 78.37 Favored 'General case' 0 N--CA 1.473 0.692 0 C-N-CA 124.705 1.202 . . . . 10.0 113.243 179.665 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 100' ' ' PHE . . . . . . . . . . . . . 2.0 p90 -69.79 -11.87 61.19 Favored 'General case' 0 CA--C 1.544 0.737 0 N-CA-C 115.341 1.608 . . . . 10.0 115.341 -178.907 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 101' ' ' TRP . . . . . . . . . . . . . 25.3 m0 . . . . . 0 N--CA 1.471 0.62 0 CA-C-N 119.675 1.125 . . . . 10.0 113.075 -177.819 . . . . . . . . 0 0 . 1 . 019 nuclear nobuild core ' A' A ' 5' ' ' ASN . . . . . . . . . . . . . 52.8 t30 . . . . . 0 CA--C 1.545 0.771 0 CA-C-O 122.569 1.176 . . . . 10.0 110.113 . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild core ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 26.2 ptt-85 -71.26 150.55 94.36 Favored Pre-proline 0 N--CA 1.475 0.796 0 C-N-CA 127.203 2.201 . . . . 10.0 112.25 173.195 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 7' ' ' PRO . . . . . . . . . . . . . 41.2 Cg_endo -61.66 119.3 6.36 Favored 'Trans proline' 0 CA--C 1.538 0.724 0 C-N-CA 122.925 2.417 . . . . 10.0 111.104 179.198 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . 116.32 -16.29 14.96 Favored Glycine 0 CA--C 1.539 1.537 0 C-N-CA 127.156 2.312 . . . . 10.0 113.671 -169.971 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -61.13 133.53 56.1 Favored 'General case' 0 CA--C 1.546 0.798 0 CA-C-N 119.599 1.699 . . . . 10.0 113.722 -171.004 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 10' ' ' PHE . . . . . . . . . . . . . 13.3 m-30 -57.64 142.83 43.57 Favored 'General case' 0 CA--C 1.543 0.695 0 C-N-CA 125.417 1.487 . . . . 10.0 113.043 172.315 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 52.6 mt -120.79 95.39 3.53 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.576 0 C-N-CA 125.523 1.529 . . . . 10.0 107.468 169.725 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 89.0 mttt -86.89 123.67 32.27 Favored 'General case' 0 N--CA 1.473 0.702 0 C-N-CA 125.265 1.426 . . . . 10.0 109.672 177.256 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 75.5 mt-30 -120.75 -41.48 2.57 Favored 'General case' 0 N--CA 1.474 0.735 0 C-N-CA 124.569 1.147 . . . . 10.0 112.836 -171.717 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . 90.41 42.58 5.15 Favored Glycine 0 CA--C 1.533 1.175 0 C-N-CA 126.114 1.816 . . . . 10.0 111.257 -169.912 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 69.4 ttp85 -121.12 84.97 2.32 Favored 'General case' 0 N--CA 1.473 0.678 0 C-N-CA 126.564 1.946 . . . . 10.0 109.957 -171.028 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 76.0 tttt -55.23 111.62 0.9 Allowed 'General case' 0 N--CA 1.475 0.806 0 C-N-CA 126.717 2.007 . . . . 10.0 112.355 -171.548 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 79.0 mt -85.15 179.1 7.31 Favored 'General case' 0 CA--C 1.545 0.775 0 C-N-CA 126.409 1.883 . . . . 10.0 112.687 -174.741 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 19.8 t0 -129.58 92.17 3.29 Favored 'General case' 0 CA--C 1.543 0.711 0 C-N-CA 125.895 1.678 . . . . 10.0 110.71 175.657 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . 51.0 mt -134.3 138.73 49.44 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.759 0 C-N-CA 127.959 2.504 . . . . 10.0 108.452 179.677 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 26.7 t0 -86.24 112.03 20.98 Favored 'General case' 0 CA--C 1.538 0.509 0 CA-C-O 121.373 0.606 . . . . 10.0 110.185 169.465 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 21' ' ' PHE . . . . . . . . . . . . . 72.6 m-85 -98.62 -3.6 35.78 Favored 'General case' 0 CA--C 1.543 0.708 0 C-N-CA 127.998 2.519 . . . . 10.0 112.675 173.995 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 88.97 152.87 26.45 Favored Glycine 0 CA--C 1.536 1.376 0 C-N-CA 125.723 1.63 . . . . 10.0 110.043 -168.822 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -40.72 -56.62 2.11 Favored 'General case' 0 CA--C 1.547 0.855 0 N-CA-C 115.678 1.733 . . . . 10.0 115.678 -169.605 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 37.2 tt0 -61.78 -44.91 95.94 Favored 'General case' 0 CA--C 1.545 0.75 0 C-N-CA 124.675 1.19 . . . . 10.0 112.505 179.793 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -66.92 -39.17 93.29 Favored Glycine 0 CA--C 1.535 1.327 0 C-N-CA 124.748 1.166 . . . . 10.0 113.905 176.027 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 95.4 m-20 -57.79 -49.13 77.64 Favored 'General case' 0 CA--C 1.534 0.34 0 C-N-CA 125.652 1.581 . . . . 10.0 110.683 174.764 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 98.7 mtt180 -57.47 -46.13 84.03 Favored 'General case' 0 N--CA 1.475 0.811 0 C-N-CA 124.499 1.119 . . . . 10.0 111.62 174.555 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 28' ' ' TYR . . . . . . . . . . . . . 71.0 t80 -60.48 -53.46 57.25 Favored 'General case' 0 CA--C 1.537 0.444 0 C-N-CA 124.04 0.936 . . . . 10.0 112.359 178.175 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 29' ' ' TYR . . . . . . . . . . . . . 76.2 t80 -56.2 -52.11 65.61 Favored 'General case' 0 N--CA 1.468 0.439 0 C-N-CA 123.898 0.879 . . . . 10.0 112.19 175.555 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -49.68 -36.57 25.43 Favored 'General case' 0 CA--C 1.545 0.754 0 C-N-CA 124.373 1.069 . . . . 10.0 113.79 178.636 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -87.21 -28.19 22.54 Favored 'General case' 0 CA--C 1.551 1.006 0 C-N-CA 125.696 1.598 . . . . 10.0 115.166 176.738 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 32' ' ' ASN . . . . . . . . . . . . . 55.9 m-80 -122.9 8.79 9.36 Favored 'General case' 0 N--CA 1.477 0.881 0 N-CA-C 116.534 2.05 . . . . 10.0 116.534 -169.12 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 33' ' ' TYR . . . . . . . . . . . . . 52.9 p90 -46.35 -36.76 6.66 Favored 'General case' 0 N--CA 1.477 0.89 0 C-N-CA 126.466 1.907 . . . . 10.0 115.069 -176.401 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 34' ' ' TRP . . . . . . . . . . . . . 63.7 p-90 -48.6 -33.67 10.21 Favored 'General case' 0 CA--C 1.546 0.809 0 C-N-CA 126.24 1.816 . . . . 10.0 114.632 174.92 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 29.8 mt-30 -71.73 -30.29 65.46 Favored 'General case' 0 N--CA 1.472 0.653 0 C-N-CA 125.061 1.344 . . . . 10.0 114.571 177.296 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 36' ' ' PHE . . . . . . . . . . . . . 64.7 m-85 -78.47 153.31 78.86 Favored Pre-proline 0 CA--C 1.544 0.741 0 N-CA-C 115.178 1.547 . . . . 10.0 115.178 -168.808 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 84.1 Cg_endo -74.18 103.64 1.71 Allowed 'Trans proline' 0 CA--C 1.539 0.765 0 C-N-CA 123.979 3.12 . . . . 10.0 110.029 169.636 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 69.2 m-20 -70.04 -22.5 63.08 Favored 'General case' 0 CA--C 1.545 0.775 0 O-C-N 121.218 -0.926 . . . . 10.0 112.261 176.326 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . -139.08 170.69 23.97 Favored Glycine 0 CA--C 1.537 1.415 0 C-N-CA 127.208 2.337 . . . . 10.0 111.083 169.468 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 40' ' ' ILE . . . . . . . . . . . . . 91.6 mt -137.45 125.58 32.39 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.858 0 C-N-CA 124.63 1.172 . . . . 10.0 109.046 176.56 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 41' ' ' TYR . . . . . . . . . . . . . 91.2 t80 -74.16 106.62 5.91 Favored 'General case' 0 CA--C 1.534 0.362 0 C-N-CA 124.102 0.961 . . . . 10.0 109.879 171.005 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 42' ' ' TYR . . . . . . . . . . . . . 55.1 t80 -154.73 141.62 19.15 Favored 'General case' 0 N--CA 1.467 0.409 0 C-N-CA 123.791 0.836 . . . . 10.0 111.886 175.747 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 51.8 mt-10 -119.94 95.83 4.92 Favored 'General case' 0 N--CA 1.469 0.505 0 C-N-CA 125.868 1.667 . . . . 10.0 109.57 178.79 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . -83.59 -69.09 1.39 Allowed Glycine 0 CA--C 1.527 0.825 0 C-N-CA 124.625 1.107 . . . . 10.0 114.421 -169.811 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 45' ' ' CYS . . . . . . . . . . . . . 26.7 p -70.68 140.21 51.43 Favored 'General case' 0 CA--C 1.544 0.712 0 N-CA-C 113.069 0.766 . . . . 10.0 113.069 -173.058 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 62.1 m -124.82 -28.16 3.54 Favored 'General case' 0 N--CA 1.479 0.991 0 C-N-CA 125.787 1.635 . . . . 10.0 113.675 178.617 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 47' ' ' GLU . . . . . 0.449 ' O ' HG12 ' A' ' 50' ' ' VAL . 13.0 pt-20 -147.73 150.57 34.55 Favored 'General case' 0 N--CA 1.472 0.672 0 C-N-CA 126.035 1.734 . . . . 10.0 111.668 -177.826 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -54.01 -26.61 27.18 Favored 'General case' 0 CA--C 1.549 0.931 0 N-CA-C 115.175 1.546 . . . . 10.0 115.175 -175.314 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 77.2 m-20 -65.25 -29.29 70.07 Favored 'General case' 0 CA--C 1.546 0.799 0 C-N-CA 125.401 1.48 . . . . 10.0 113.836 176.997 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 50' ' ' VAL . . . . . 0.449 HG12 ' O ' ' A' ' 47' ' ' GLU . 5.0 p -62.89 136.1 26.41 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.892 0 C-N-CA 124.084 0.954 . . . . 10.0 111.857 -176.962 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 73.5 p -101.49 167.89 9.86 Favored 'General case' 0 N--CA 1.474 0.747 0 C-N-CA 124.46 1.104 . . . . 10.0 111.794 -173.838 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 87.3 tttt -59.33 -47.98 83.36 Favored 'General case' 0 N--CA 1.469 0.515 0 C-N-CA 123.197 0.599 . . . . 10.0 110.684 169.837 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 2.4 mp0 -48.34 -51.58 25.5 Favored 'General case' 0 CA--C 1.54 0.591 0 C-N-CA 124.828 1.251 . . . . 10.0 112.273 173.732 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 54' ' ' MET . . . . . . . . . . . . . 31.3 mtm -56.77 -56.61 19.31 Favored 'General case' 0 N--CA 1.469 0.497 0 C-N-CA 123.818 0.847 . . . . 10.0 112.606 171.64 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 9.7 tt -55.42 -53.73 52.63 Favored 'General case' 0 N--CA 1.471 0.58 0 C-N-CA 124.689 1.196 . . . . 10.0 112.979 -177.192 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 60.7 t -60.4 -48.97 86.14 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.812 0 C-N-CA 125.444 1.498 . . . . 10.0 111.208 -177.364 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 57' ' ' THR . . . . . . . . . . . . . 48.0 m -59.69 -49.04 79.31 Favored 'General case' 0 N--CA 1.476 0.863 0 C-N-CA 124.047 0.939 . . . . 10.0 111.542 175.86 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 38.8 m -60.38 -39.73 88.31 Favored 'General case' 0 N--CA 1.472 0.626 0 C-N-CA 124.165 0.986 . . . . 10.0 112.349 177.519 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 59' ' ' CYS . . . . . . . . . . . . . 39.7 t -58.19 -49.58 76.56 Favored 'General case' 0 CA--C 1.537 0.446 0 C-N-CA 125.557 1.543 . . . . 10.0 112.877 173.329 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 60' ' ' VAL . . . . . . . . . . . . . 54.5 t -55.36 -49.96 68.9 Favored 'Isoleucine or valine' 0 N--CA 1.479 0.977 0 CA-C-N 119.076 0.853 . . . . 10.0 111.267 172.051 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 61' ' ' ASN . . . . . . . . . . . . . 16.4 m-80 -57.83 -45.21 86.51 Favored 'General case' 0 CA--C 1.545 0.762 0 C-N-CA 124.528 1.131 . . . . 10.0 113.189 176.551 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -62.09 -48.09 81.74 Favored 'General case' 0 CA--C 1.536 0.44 0 C-N-CA 124.064 0.945 . . . . 10.0 111.366 175.396 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 63' ' ' THR . . . . . . . . . . . . . 30.8 m -54.71 -49.64 70.23 Favored 'General case' 0 N--CA 1.471 0.589 0 C-N-CA 124.98 1.312 . . . . 10.0 111.58 176.316 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 64' ' ' GLN . . . . . . . . . . . . . 81.8 mt-30 -48.8 -60.0 3.1 Favored 'General case' 0 N--CA 1.471 0.585 0 C-N-CA 125.531 1.532 . . . . 10.0 112.133 172.17 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -56.82 -43.0 80.6 Favored 'General case' 0 CA--C 1.545 0.765 0 C-N-CA 125.317 1.447 . . . . 10.0 113.577 179.681 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -69.06 -39.83 78.9 Favored 'General case' 0 CA--C 1.543 0.701 0 C-N-CA 124.969 1.308 . . . . 10.0 114.433 -178.832 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 67' ' ' ASN . . . . . . . . . . . . . 8.3 m-80 -118.12 39.69 3.34 Favored 'General case' 0 N--CA 1.475 0.794 0 C-N-CA 124.162 0.985 . . . . 10.0 112.71 -169.72 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 68' ' ' GLN . . . . . . . . . . . . . 64.1 mt-30 -52.44 -44.86 65.72 Favored 'General case' 0 N--CA 1.475 0.781 0 C-N-CA 125.61 1.564 . . . . 10.0 112.861 179.427 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -54.28 -49.33 69.84 Favored 'General case' 0 CA--C 1.542 0.659 0 C-N-CA 124.944 1.298 . . . . 10.0 112.636 175.609 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 11.1 mm-40 -59.79 -48.34 82.08 Favored 'General case' 0 N--CA 1.47 0.573 0 C-N-CA 124.192 0.997 . . . . 10.0 111.973 178.1 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 71' ' ' PHE . . . . . . . . . . . . . 25.7 m-85 -65.48 -24.13 67.08 Favored 'General case' 0 N--CA 1.472 0.658 0 N-CA-C 113.919 1.081 . . . . 10.0 113.919 176.541 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 21.7 t -71.33 -56.71 5.44 Favored 'General case' 0 N--CA 1.47 0.542 0 C-N-CA 124.234 1.013 . . . . 10.0 110.575 169.384 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 73' ' ' ARG . . . . . . . . . . . . . 91.4 mtt180 -55.52 -61.39 2.38 Favored 'General case' 0 N--CA 1.476 0.858 0 C-N-CA 127.351 2.261 . . . . 10.0 113.294 179.628 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 77.3 mm-40 -87.13 52.11 2.42 Favored 'General case' 0 N--CA 1.468 0.452 0 C-N-CA 126.454 1.902 . . . . 10.0 112.84 -169.34 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 4.8 ttpm? -147.32 -53.19 0.21 Allowed 'General case' 0 N--CA 1.472 0.646 0 C-N-CA 125.104 1.362 . . . . 10.0 113.225 -176.994 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 76' ' ' GLN . . . . . . . . . . . . . 13.8 mm100 -57.02 -61.94 2.09 Favored 'General case' 0 N--CA 1.472 0.659 0 C-N-CA 124.613 1.165 . . . . 10.0 111.911 -172.085 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 31.4 t70 -82.79 -51.61 7.5 Favored 'General case' 0 CA--C 1.542 0.635 0 C-N-CA 124.363 1.065 . . . . 10.0 110.995 169.85 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 16.6 m -75.72 55.55 0.87 Allowed 'General case' 0 CA--C 1.544 0.729 0 C-N-CA 126.648 1.979 . . . . 10.0 113.322 -177.035 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 64.3 mttp -54.2 -50.99 65.81 Favored 'General case' 0 N--CA 1.479 0.982 0 C-N-CA 125.853 1.661 . . . . 10.0 113.036 -176.833 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 50.3 tp -57.45 -35.16 69.76 Favored 'General case' 0 N--CA 1.472 0.647 0 C-N-CA 125.295 1.438 . . . . 10.0 113.122 177.613 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 81' ' ' HIS . . . . . . . . . . . . . 6.9 t-160 -53.25 -46.16 69.09 Favored 'General case' 0 N--CA 1.469 0.52 0 C-N-CA 124.004 0.922 . . . . 10.0 111.82 -178.368 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 82' ' ' GLN . . . . . . . . . . . . . 85.0 mm-40 -48.06 -55.63 9.71 Favored 'General case' 0 N--CA 1.474 0.775 0 C-N-CA 124.431 1.092 . . . . 10.0 113.227 177.742 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 83' ' ' ARG . . . . . . . . . . . . . 48.3 ttt85 -46.95 -60.07 2.68 Favored 'General case' 0 N--CA 1.481 1.096 0 C-N-CA 124.839 1.256 . . . . 10.0 111.502 177.761 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 84' ' ' VAL . . . . . . . . . . . . . 12.7 t -60.91 -50.47 80.4 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.505 0 C-N-CA 125.941 1.696 . . . . 10.0 110.687 -176.823 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 85' ' ' LEU . . . . . . . . . . . . . 29.9 tp -57.12 -50.39 72.95 Favored 'General case' 0 CA--C 1.539 0.522 0 C-N-CA 126.194 1.798 . . . . 10.0 112.363 178.935 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 86' ' ' TRP . . . . . . . . . . . . . 66.8 m95 -62.17 -44.77 95.86 Favored 'General case' 0 N--CA 1.469 0.496 0 N-CA-C 113.696 0.998 . . . . 10.0 113.696 175.734 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 87' ' ' ARG . . . . . . . . . . . . . 25.5 tpt180 -54.6 -49.32 70.74 Favored 'General case' 0 N--CA 1.474 0.728 0 C-N-CA 123.426 0.69 . . . . 10.0 111.015 172.788 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 88' ' ' LEU . . . . . . . . . . . . . 57.4 tp -57.42 -54.0 51.74 Favored 'General case' 0 CA--C 1.54 0.593 0 C-N-CA 124.19 0.996 . . . . 10.0 112.831 174.091 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 89' ' ' ILE . . . . . . . . . . . . . 68.3 mt -51.04 -52.69 17.05 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.825 0 C-N-CA 124.333 1.053 . . . . 10.0 110.758 176.749 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 95.9 mttt -59.72 -45.14 93.07 Favored 'General case' 0 N--CA 1.47 0.536 0 C-N-CA 124.538 1.135 . . . . 10.0 112.968 178.105 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 22.3 mm-40 -56.1 -49.01 75.06 Favored 'General case' 0 CA--C 1.541 0.601 0 CA-C-N 119.316 0.962 . . . . 10.0 112.376 171.417 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 92' ' ' ILE . . . . . . . . . . . . . 90.5 mt -57.07 -52.36 57.12 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.955 0 C-N-CA 124.537 1.135 . . . . 10.0 111.449 174.434 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 93' ' ' CYS . . . . . . . . . . . . . 83.0 m -55.94 -46.44 78.52 Favored 'General case' 0 CA--C 1.543 0.693 0 C-N-CA 124.293 1.037 . . . . 10.0 112.065 177.479 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 56.1 m -60.03 -44.73 94.43 Favored 'General case' 0 N--CA 1.476 0.841 0 C-N-CA 125.699 1.6 . . . . 10.0 112.99 174.054 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . -64.28 -50.89 66.1 Favored 'General case' 0 CA--C 1.54 0.565 0 C-N-CA 125.488 1.515 . . . . 10.0 113.032 -178.416 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 96' ' ' LYS . . . . . . . . . . . . . 7.5 ptmm? -67.52 92.28 0.31 Allowed 'General case' 0 N--CA 1.476 0.874 0 C-N-CA 124.343 1.057 . . . . 10.0 112.935 -173.107 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 97' ' ' HIS . . . . . . . . . . . . . 6.4 m80 -73.17 153.5 40.68 Favored 'General case' 0 N--CA 1.476 0.831 0 C-N-CA 124.893 1.277 . . . . 10.0 112.343 179.898 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 98' ' ' CYS . . . . . . . . . . . . . 38.4 t -70.11 147.29 50.13 Favored 'General case' 0 CA--C 1.544 0.74 0 C-N-CA 123.335 0.654 . . . . 10.0 111.243 169.376 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 99' ' ' ASP . . . . . . . . . . . . . 31.7 t70 -65.22 -43.62 90.89 Favored 'General case' 0 CA--C 1.545 0.768 0 C-N-CA 124.584 1.154 . . . . 10.0 113.533 176.36 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 100' ' ' PHE . . . . . . . . . . . . . 9.1 p90 -101.35 8.14 42.43 Favored 'General case' 0 CA--C 1.546 0.798 0 N-CA-C 115.884 1.809 . . . . 10.0 115.884 -169.572 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 101' ' ' TRP . . . . . . . . . . . . . 7.9 m0 . . . . . 0 N--CA 1.475 0.817 0 CA-C-N 120.004 1.275 . . . . 10.0 112.767 177.79 . . . . . . . . 0 0 . 1 . 020 nuclear nobuild core ' A' A ' 5' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER . . . . . 0 CA--C 1.547 0.846 0 CA-C-O 121.995 0.902 . . . . 10.0 110.684 . . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 7.4 ptm180 -74.1 161.87 76.48 Favored Pre-proline 0 N--CA 1.478 0.944 0 C-N-CA 125.005 1.322 . . . . 10.0 112.122 170.263 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 7' ' ' PRO . . . . . . . . . . . . . 80.8 Cg_exo -46.91 122.4 6.09 Favored 'Trans proline' 0 CA--C 1.537 0.655 0 C-N-CA 123.483 2.788 . . . . 10.0 112.483 169.97 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . 116.4 -21.13 11.96 Favored Glycine 0 CA--C 1.539 1.538 0 C-N-CA 127.558 2.504 . . . . 10.0 113.476 -169.672 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -59.31 135.03 57.52 Favored 'General case' 0 CA--C 1.545 0.785 0 CA-C-N 119.183 1.492 . . . . 10.0 114.149 -170.292 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 10' ' ' PHE . . . . . . . . . . . . . 15.4 m-30 -58.54 143.09 47.08 Favored 'General case' 0 CA--C 1.542 0.637 0 C-N-CA 125.834 1.654 . . . . 10.0 113.261 173.893 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 35.8 mt -126.26 93.28 2.25 Favored 'Isoleucine or valine' 0 CA--C 1.537 0.453 0 C-N-CA 125.183 1.393 . . . . 10.0 107.247 169.548 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 92.7 mttt -86.92 116.89 25.29 Favored 'General case' 0 N--CA 1.472 0.654 0 C-N-CA 125.942 1.697 . . . . 10.0 109.636 175.134 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 13' ' ' GLN . . . . . 0.423 ' NE2' HH21 ' A' ' 15' ' ' ARG . 34.5 mt-30 -120.2 -45.83 2.43 Favored 'General case' 0 N--CA 1.47 0.55 0 C-N-CA 126.022 1.729 . . . . 10.0 110.648 -175.805 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . 119.1 84.35 0.91 Allowed Glycine 0 N--CA 1.469 0.857 0 C-N-CA 125.827 1.68 . . . . 10.0 110.875 175.982 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 15' ' ' ARG . . . . . 0.423 HH21 ' NE2' ' A' ' 13' ' ' GLN . 48.6 ttm-85 -143.08 143.99 32.07 Favored 'General case' 0 N--CA 1.473 0.701 0 C-N-CA 125.496 1.518 . . . . 10.0 111.828 -169.605 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 75.3 tttt -117.58 96.87 5.59 Favored 'General case' 0 N--CA 1.472 0.643 0 C-N-CA 125.839 1.655 . . . . 10.0 110.58 -179.948 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 77.3 mt -78.78 -179.92 6.82 Favored 'General case' 0 CA--C 1.545 0.754 0 C-N-CA 126.411 1.884 . . . . 10.0 112.54 -177.848 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 20.1 t0 -128.12 101.73 6.4 Favored 'General case' 0 CA--C 1.542 0.635 0 C-N-CA 125.86 1.664 . . . . 10.0 110.33 172.729 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . 76.8 mt -135.69 131.76 50.81 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.726 0 C-N-CA 127.226 2.21 . . . . 10.0 107.93 -179.796 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 24.2 t0 -85.3 88.44 7.49 Favored 'General case' 0 CA--C 1.542 0.636 0 CA-C-O 122.163 0.982 . . . . 10.0 110.587 169.91 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 21' ' ' PHE . . . . . . . . . . . . . 84.1 m-85 -66.81 -39.44 87.72 Favored 'General case' 0 CA--C 1.54 0.582 0 C-N-CA 126.349 1.859 . . . . 10.0 111.705 169.944 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 128.03 154.99 8.56 Favored Glycine 0 CA--C 1.534 1.224 0 C-N-CA 128.143 2.782 . . . . 10.0 109.589 -169.639 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -39.87 -57.31 1.61 Allowed 'General case' 0 CA--C 1.547 0.862 0 N-CA-C 115.641 1.719 . . . . 10.0 115.641 -169.604 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 36.2 tt0 -63.69 -45.22 91.02 Favored 'General case' 0 CA--C 1.544 0.739 0 C-N-CA 124.61 1.164 . . . . 10.0 112.767 179.592 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -66.67 -38.54 93.28 Favored Glycine 0 CA--C 1.535 1.294 0 C-N-CA 124.988 1.28 . . . . 10.0 114.122 177.183 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 86.8 m-20 -57.71 -49.88 75.05 Favored 'General case' 0 CA--C 1.536 0.435 0 C-N-CA 126.007 1.723 . . . . 10.0 110.364 173.764 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 99.1 mtt180 -59.29 -45.88 90.05 Favored 'General case' 0 N--CA 1.475 0.776 0 C-N-CA 124.792 1.237 . . . . 10.0 111.492 176.002 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 28' ' ' TYR . . . . . . . . . . . . . 79.2 t80 -58.39 -56.25 24.47 Favored 'General case' 0 CA--C 1.536 0.417 0 C-N-CA 124.256 1.022 . . . . 10.0 112.186 176.469 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 29' ' ' TYR . . . . . . . . . . . . . 76.2 t80 -56.14 -50.34 71.38 Favored 'General case' 0 N--CA 1.468 0.451 0 C-N-CA 123.877 0.871 . . . . 10.0 112.193 177.858 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -51.41 -29.58 16.33 Favored 'General case' 0 CA--C 1.546 0.81 0 N-CA-C 114.241 1.2 . . . . 10.0 114.241 177.675 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -95.99 -24.8 16.2 Favored 'General case' 0 CA--C 1.551 1.017 0 C-N-CA 126.05 1.74 . . . . 10.0 114.884 176.987 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 32' ' ' ASN . . . . . . . . . . . . . 55.8 m-80 -124.43 7.23 8.34 Favored 'General case' 0 CA--C 1.546 0.825 0 N-CA-C 116.065 1.876 . . . . 10.0 116.065 -169.323 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 33' ' ' TYR . . . . . . . . . . . . . 51.5 p90 -43.36 -39.0 2.95 Favored 'General case' 0 N--CA 1.476 0.839 0 C-N-CA 127.511 2.324 . . . . 10.0 114.927 -179.731 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 34' ' ' TRP . . . . . . . . . . . . . 64.2 p-90 -49.9 -33.5 17.46 Favored 'General case' 0 CA--C 1.546 0.794 0 C-N-CA 126.555 1.942 . . . . 10.0 114.663 176.527 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 31.3 mt-30 -70.01 -34.69 73.63 Favored 'General case' 0 N--CA 1.473 0.678 0 C-N-CA 124.73 1.212 . . . . 10.0 114.082 177.476 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 36' ' ' PHE . . . . . . . . . . . . . 44.3 m-85 -70.4 147.82 95.22 Favored Pre-proline 0 CA--C 1.545 0.776 0 C-N-CA 125.197 1.399 . . . . 10.0 113.695 -169.276 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 96.8 Cg_endo -74.52 97.31 1.03 Allowed 'Trans proline' 0 C--N 1.348 0.546 0 C-N-CA 123.95 3.1 . . . . 10.0 110.096 170.432 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 4.5 p-10 -71.23 -17.85 62.48 Favored 'General case' 0 CA--C 1.545 0.756 0 O-C-N 121.108 -0.995 . . . . 10.0 113.347 -179.297 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . -126.71 159.52 20.95 Favored Glycine 0 CA--C 1.536 1.388 0 C-N-CA 126.288 1.899 . . . . 10.0 110.385 168.728 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 40' ' ' ILE . . . . . . . . . . . . . 81.5 mt -137.75 124.57 28.29 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.841 0 C-N-CA 124.529 1.132 . . . . 10.0 109.224 175.371 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 41' ' ' TYR . . . . . . . . . . . . . 54.0 t80 -73.47 94.78 2.14 Favored 'General case' 0 CA--C 1.535 0.365 0 C-N-CA 124.687 1.195 . . . . 10.0 110.277 172.102 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 42' ' ' TYR . . . . . . . . . . . . . 91.2 t80 -154.38 139.31 17.24 Favored 'General case' 0 N--CA 1.467 0.412 0 C-N-CA 124.538 1.135 . . . . 10.0 110.589 174.142 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 44.1 mt-10 -134.28 85.3 2.18 Favored 'General case' 0 CA--C 1.54 0.574 0 C-N-CA 125.789 1.636 . . . . 10.0 110.008 -176.665 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . -80.8 -25.71 55.48 Favored Glycine 0 CA--C 1.534 1.241 0 C-N-CA 124.755 1.169 . . . . 10.0 115.159 -173.378 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 45' ' ' CYS . . . . . . . . . . . . . 69.0 m -61.7 119.31 8.46 Favored 'General case' 0 CA--C 1.543 0.685 0 C-N-CA 125.945 1.698 . . . . 10.0 112.42 -177.461 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 56.6 p -142.23 -77.74 0.26 Allowed 'General case' 0 N--CA 1.471 0.605 0 C-N-CA 125.406 1.482 . . . . 10.0 111.784 -178.902 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 31.4 mm-40 -93.96 145.37 24.69 Favored 'General case' 0 N--CA 1.469 0.494 0 C-N-CA 126.147 1.779 . . . . 10.0 112.212 -176.287 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -55.48 -31.16 61.76 Favored 'General case' 0 CA--C 1.547 0.847 0 C-N-CA 124.818 1.247 . . . . 10.0 113.342 172.729 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 32.1 m120 -68.47 -23.48 64.59 Favored 'General case' 0 CA--C 1.545 0.77 0 C-N-CA 126.355 1.862 . . . . 10.0 114.084 176.56 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 50' ' ' VAL . . . . . 0.494 HG13 ' HE1' ' A' ' 101' ' ' TRP . 0.3 OUTLIER -63.93 154.52 6.56 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.957 0 C-N-CA 123.77 0.828 . . . . 10.0 111.192 178.532 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 27.0 p -130.43 172.34 11.98 Favored 'General case' 0 N--CA 1.479 0.98 0 C-N-CA 125.051 1.34 . . . . 10.0 111.705 -177.188 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 37.5 ttpt -60.78 -50.76 72.14 Favored 'General case' 0 N--CA 1.471 0.609 0 O-C-N 121.763 -0.586 . . . . 10.0 111.816 171.432 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 47.4 mt-10 -51.56 -47.01 63.62 Favored 'General case' 0 N--CA 1.474 0.734 0 C-N-CA 123.488 0.715 . . . . 10.0 112.199 176.997 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 54' ' ' MET . . . . . . . . . . . . . 99.2 mtp -58.11 -57.82 11.17 Favored 'General case' 0 CA--C 1.539 0.52 0 C-N-CA 124.024 0.929 . . . . 10.0 112.292 171.15 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 10.0 tt -57.26 -51.94 67.33 Favored 'General case' 0 N--CA 1.467 0.413 0 C-N-CA 124.242 1.017 . . . . 10.0 112.642 -176.279 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 40.7 t -60.91 -47.3 94.04 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.739 0 C-N-CA 124.732 1.213 . . . . 10.0 111.11 -177.31 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 57' ' ' THR . . . . . . . . . . . . . 58.5 m -57.78 -51.34 69.97 Favored 'General case' 0 N--CA 1.476 0.871 0 C-N-CA 123.998 0.919 . . . . 10.0 111.612 173.629 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 7.0 t -59.92 -42.26 93.52 Favored 'General case' 0 N--CA 1.471 0.575 0 C-N-CA 124.268 1.027 . . . . 10.0 112.566 177.967 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 59' ' ' CYS . . . . . . . . . . . . . 40.9 t -57.84 -50.1 74.44 Favored 'General case' 0 CA--C 1.536 0.405 0 C-N-CA 126.376 1.87 . . . . 10.0 112.667 173.209 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 60' ' ' VAL . . . . . . . . . . . . . 40.3 t -54.83 -48.81 73.37 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.933 0 C-N-CA 124.272 1.029 . . . . 10.0 111.363 172.442 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 61' ' ' ASN . . . . . . . . . . . . . 18.0 m-80 -59.11 -45.66 90.31 Favored 'General case' 0 CA--C 1.546 0.807 0 C-N-CA 124.658 1.183 . . . . 10.0 113.254 174.808 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -60.69 -45.69 93.23 Favored 'General case' 0 CA--C 1.538 0.482 0 C-N-CA 124.473 1.109 . . . . 10.0 111.332 174.908 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 63' ' ' THR . . . . . . . . . . . . . 36.8 m -56.3 -48.14 77.26 Favored 'General case' 0 N--CA 1.471 0.576 0 C-N-CA 125.561 1.544 . . . . 10.0 111.653 175.928 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 64' ' ' GLN . . . . . . . . . . . . . 70.8 mt-30 -50.51 -59.89 3.56 Favored 'General case' 0 N--CA 1.47 0.565 0 C-N-CA 124.096 0.958 . . . . 10.0 111.687 170.71 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -56.45 -41.66 76.86 Favored 'General case' 0 CA--C 1.545 0.776 0 C-N-CA 125.85 1.66 . . . . 10.0 114.044 -178.615 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -69.44 -37.7 77.49 Favored 'General case' 0 CA--C 1.541 0.625 0 C-N-CA 125.141 1.377 . . . . 10.0 114.262 178.969 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 67' ' ' ASN . . . . . . . . . . . . . 7.2 m-80 -122.39 39.78 3.83 Favored 'General case' 0 CA--C 1.546 0.794 0 C-N-CA 124.28 1.032 . . . . 10.0 112.639 -169.769 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 68' ' ' GLN . . . . . . . . . . . . . 88.0 mt-30 -52.81 -47.99 67.25 Favored 'General case' 0 N--CA 1.475 0.782 0 C-N-CA 125.29 1.436 . . . . 10.0 113.105 -176.34 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -55.47 -50.27 70.32 Favored 'General case' 0 CA--C 1.542 0.664 0 C-N-CA 125.066 1.346 . . . . 10.0 112.852 179.354 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 12.3 mm-40 -52.96 -53.88 43.29 Favored 'General case' 0 N--CA 1.472 0.668 0 C-N-CA 125.094 1.358 . . . . 10.0 111.621 178.788 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 71' ' ' PHE . . . . . . . . . . . . . 40.4 m-85 -59.36 -57.16 14.22 Favored 'General case' 0 CA--C 1.535 0.402 0 C-N-CA 123.603 0.761 . . . . 10.0 111.903 175.377 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 62.7 m -53.5 -48.25 69.14 Favored 'General case' 0 N--CA 1.474 0.764 0 C-N-CA 125.493 1.517 . . . . 10.0 113.349 -175.118 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 73' ' ' ARG . . . . . . . . . . . . . 99.0 mtt180 -57.57 -56.63 19.45 Favored 'General case' 0 N--CA 1.475 0.791 0 C-N-CA 125.349 1.46 . . . . 10.0 111.996 177.386 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 30.2 mt-10 -69.1 -46.39 67.84 Favored 'General case' 0 CA--C 1.538 0.498 0 N-CA-C 113.698 0.999 . . . . 10.0 113.698 -174.76 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 21.7 ttmm -43.72 -35.46 1.85 Allowed 'General case' 0 N--CA 1.484 1.238 0 C-N-CA 127.782 2.433 . . . . 10.0 114.839 -177.315 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 76' ' ' GLN . . . . . . . . . . . . . 17.6 mm100 -51.29 -35.63 38.52 Favored 'General case' 0 CA--C 1.544 0.712 0 C-N-CA 126.015 1.726 . . . . 10.0 114.04 175.45 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 32.6 t70 -133.17 -39.92 0.92 Allowed 'General case' 0 N--CA 1.474 0.757 0 C-N-CA 125.755 1.622 . . . . 10.0 113.411 -172.895 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -80.31 53.84 1.87 Allowed 'General case' 0 CA--C 1.544 0.731 0 C-N-CA 126.951 2.1 . . . . 10.0 112.833 -175.015 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 5.3 mptp? -55.0 -48.7 72.99 Favored 'General case' 0 N--CA 1.479 0.997 0 C-N-CA 125.741 1.616 . . . . 10.0 112.673 -175.287 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 50.1 tp -58.04 -50.41 73.52 Favored 'General case' 0 N--CA 1.47 0.545 0 C-N-CA 124.761 1.225 . . . . 10.0 111.962 173.935 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 81' ' ' HIS . . . . . . . . . . . . . 17.8 t-160 -50.44 -47.94 56.57 Favored 'General case' 0 N--CA 1.473 0.686 0 CA-C-O 118.296 -0.859 . . . . 10.0 111.791 -178.868 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 82' ' ' GLN . . . . . . . . . . . . . 83.9 mm-40 -45.94 -55.62 6.54 Favored 'General case' 0 N--CA 1.474 0.761 0 C-N-CA 124.566 1.146 . . . . 10.0 112.619 177.967 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 83' ' ' ARG . . . . . . . . . . . . . 10.9 mpt_? -57.68 -53.93 52.58 Favored 'General case' 0 N--CA 1.479 1.023 0 C-N-CA 124.673 1.189 . . . . 10.0 111.792 -178.206 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 84' ' ' VAL . . . . . . . . . . . . . 20.0 t -56.93 -51.71 64.91 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.775 0 C-N-CA 125.561 1.544 . . . . 10.0 110.597 177.938 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 85' ' ' LEU . . . . . . . . . . . . . 41.4 tp -55.19 -48.93 73.11 Favored 'General case' 0 CA--C 1.536 0.426 0 C-N-CA 126.529 1.932 . . . . 10.0 112.753 177.078 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 86' ' ' TRP . . . . . . . . . . . . . 55.5 m95 -61.31 -44.31 97.42 Favored 'General case' 0 N--CA 1.47 0.54 0 N-CA-C 113.821 1.045 . . . . 10.0 113.821 175.464 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 87' ' ' ARG . . . . . . . . . . . . . 44.6 tpt85 -57.76 -45.44 85.92 Favored 'General case' 0 N--CA 1.476 0.845 0 C-N-CA 123.71 0.804 . . . . 10.0 112.292 173.764 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 88' ' ' LEU . . . . . . . . . . . . . 2.1 tm? -59.93 -52.59 64.75 Favored 'General case' 0 CA--C 1.542 0.657 0 C-N-CA 126.929 2.092 . . . . 10.0 111.93 173.204 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 89' ' ' ILE . . . . . . . . . . . . . 65.3 mt -51.71 -51.29 27.91 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.78 0 C-N-CA 124.322 1.049 . . . . 10.0 110.453 173.971 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 39.6 ttmt -57.5 -43.57 84.31 Favored 'General case' 0 N--CA 1.471 0.601 0 C-N-CA 124.506 1.122 . . . . 10.0 113.108 176.588 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 27.2 tp10 -53.14 -52.33 59.08 Favored 'General case' 0 N--CA 1.472 0.635 0 CA-C-N 119.222 0.919 . . . . 10.0 111.949 172.643 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 92' ' ' ILE . . . . . . . . . . . . . 97.4 mt -59.7 -50.26 80.68 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.752 0 C-N-CA 124.649 1.18 . . . . 10.0 111.303 176.18 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 93' ' ' CYS . . . . . . . . . . . . . 60.8 m -54.88 -45.17 74.61 Favored 'General case' 0 CA--C 1.546 0.808 0 C-N-CA 124.766 1.226 . . . . 10.0 112.464 176.654 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 13.5 t -58.91 -46.2 88.47 Favored 'General case' 0 N--CA 1.476 0.846 0 C-N-CA 125.073 1.349 . . . . 10.0 112.856 171.458 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . -58.07 -41.98 84.55 Favored 'General case' 0 CA--C 1.547 0.85 0 C-N-CA 125.084 1.354 . . . . 10.0 114.3 -176.868 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 96' ' ' LYS . . . . . . . . . . . . . 1.3 ptpm? -73.89 55.0 0.53 Allowed 'General case' 0 N--CA 1.486 1.332 0 C-N-CA 125.663 1.585 . . . . 10.0 113.925 179.171 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 97' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -65.33 149.37 50.1 Favored 'General case' 0 N--CA 1.474 0.763 0 C-N-CA 127.562 2.345 . . . . 10.0 114.251 179.204 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 98' ' ' CYS . . . . . . . . . . . . . 15.6 m -88.17 129.26 35.38 Favored 'General case' 0 CA--C 1.54 0.595 0 C-N-CA 123.942 0.897 . . . . 10.0 111.325 172.425 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 99' ' ' ASP . . . . . . . . . . . . . 6.6 p-10 -64.58 -32.58 74.3 Favored 'General case' 0 CA--C 1.545 0.755 0 C-N-CA 124.421 1.088 . . . . 10.0 113.816 179.698 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 100' ' ' PHE . . . . . . . . . . . . . 14.6 p90 -78.52 -5.79 53.66 Favored 'General case' 0 CA--C 1.543 0.706 0 N-CA-C 115.376 1.621 . . . . 10.0 115.376 -176.041 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 101' ' ' TRP . . . . . 0.494 ' HE1' HG13 ' A' ' 50' ' ' VAL . 17.0 m0 . . . . . 0 N--CA 1.474 0.732 0 CA-C-N 119.809 1.186 . . . . 10.0 113.303 -175.972 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 1' ' ' ARG . . . . . . . . . . . . . 99.8 mtt180 . . . . . 0 N--CA 1.49 1.526 0 N-CA-C 110.15 -0.315 . . . . 10.0 110.15 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 2' ' ' VAL . . . . . . . . . . . . . 10.8 p -64.36 145.55 13.77 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.082 0 C-N-CA 124.644 1.178 . . . . 10.0 111.788 176.322 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -75.33 37.3 0.13 Allowed 'General case' 0 CA--C 1.553 1.066 0 C-N-CA 125.721 1.608 . . . . 10.0 114.398 -176.936 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 11.1 mm-40 -78.15 -39.17 41.89 Favored 'General case' 0 N--CA 1.473 0.725 0 C-N-CA 125.038 1.335 . . . . 10.0 111.797 169.921 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 5' ' ' ASN . . . . . . . . . . . . . 1.3 t30 -83.48 60.68 5.79 Favored 'General case' 0 CA--C 1.55 0.978 0 C-N-CA 125.205 1.402 . . . . 10.0 109.989 169.948 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 22.7 ptt-85 -92.87 151.6 40.9 Favored Pre-proline 0 N--CA 1.478 0.961 0 C-N-CA 127.552 2.341 . . . . 10.0 111.382 178.965 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 7' ' ' PRO . . . . . . . . . . . . . 31.6 Cg_endo -59.0 117.94 4.75 Favored 'Trans proline' 0 CA--C 1.538 0.717 0 C-N-CA 122.89 2.393 . . . . 10.0 111.234 -177.553 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . 115.95 -17.02 15.51 Favored Glycine 0 CA--C 1.54 1.65 0 C-N-CA 127.507 2.479 . . . . 10.0 113.899 -169.802 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -61.11 134.1 56.7 Favored 'General case' 0 CA--C 1.545 0.759 0 CA-C-N 119.799 1.799 . . . . 10.0 113.268 -172.09 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 10' ' ' PHE . . . . . . . . . . . . . 20.6 m-30 -60.15 148.2 36.98 Favored 'General case' 0 CA--C 1.541 0.634 0 C-N-CA 124.314 1.046 . . . . 10.0 113.406 174.592 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 67.4 mt -122.38 96.97 4.42 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.506 0 C-N-CA 125.97 1.708 . . . . 10.0 107.061 169.664 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 84.0 mttt -92.07 89.35 6.91 Favored 'General case' 0 N--CA 1.474 0.746 0 C-N-CA 125.111 1.364 . . . . 10.0 110.554 -177.652 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 26.4 mt-30 -79.19 -24.61 43.05 Favored 'General case' 0 CA--C 1.541 0.617 0 C-N-CA 124.099 0.959 . . . . 10.0 111.753 171.995 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . 82.74 6.83 88.11 Favored Glycine 0 CA--C 1.536 1.401 0 C-N-CA 125.025 1.298 . . . . 10.0 114.232 -179.569 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 46.4 ttp180 -69.83 128.33 36.01 Favored 'General case' 0 N--CA 1.47 0.561 0 C-N-CA 127.028 2.131 . . . . 10.0 110.877 177.553 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 48.8 tttm -70.75 133.97 47.03 Favored 'General case' 0 N--CA 1.474 0.751 0 C-N-CA 123.778 0.831 . . . . 10.0 110.66 171.655 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 62.3 mt -105.79 -179.78 4.04 Favored 'General case' 0 CA--C 1.546 0.79 0 C-N-CA 126.918 2.087 . . . . 10.0 111.986 177.775 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 19.7 t0 -130.37 99.45 5.02 Favored 'General case' 0 CA--C 1.542 0.66 0 C-N-CA 126.037 1.735 . . . . 10.0 110.435 175.452 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . 70.0 mt -138.32 134.31 43.87 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.747 0 C-N-CA 127.45 2.3 . . . . 10.0 108.351 -177.64 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 23.6 t0 -86.46 93.13 9.06 Favored 'General case' 0 CA--C 1.541 0.62 0 CA-C-O 122.054 0.931 . . . . 10.0 110.347 169.781 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 21' ' ' PHE . . . . . . . . . . . . . 80.0 m-85 -74.18 -31.4 62.65 Favored 'General case' 0 CA--C 1.54 0.57 0 C-N-CA 126.493 1.917 . . . . 10.0 112.402 172.34 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 120.43 157.66 10.25 Favored Glycine 0 CA--C 1.532 1.14 0 C-N-CA 127.254 2.359 . . . . 10.0 109.914 -169.279 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -40.92 -59.07 1.53 Allowed 'General case' 0 CA--C 1.545 0.767 0 N-CA-C 115.198 1.555 . . . . 10.0 115.198 -169.68 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 9.2 mm-40 -63.12 -46.41 87.45 Favored 'General case' 0 N--CA 1.474 0.761 0 C-N-CA 124.016 0.927 . . . . 10.0 112.237 179.896 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -63.92 -39.14 97.03 Favored Glycine 0 CA--C 1.532 1.141 0 C-N-CA 124.645 1.117 . . . . 10.0 114.091 179.276 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 92.9 m-20 -58.05 -51.83 68.03 Favored 'General case' 0 CA--C 1.536 0.418 0 C-N-CA 126.041 1.736 . . . . 10.0 110.334 174.553 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 39.4 mtm105 -58.78 -46.76 86.79 Favored 'General case' 0 N--CA 1.477 0.914 0 C-N-CA 123.682 0.793 . . . . 10.0 111.823 174.372 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 28' ' ' TYR . . . . . . . . . . . . . 79.7 t80 -58.84 -53.15 61.65 Favored 'General case' 0 CA--C 1.535 0.403 0 C-N-CA 124.016 0.927 . . . . 10.0 112.144 179.851 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 29' ' ' TYR . . . . . . . . . . . . . 80.4 t80 -56.78 -52.05 66.55 Favored 'General case' 0 CA--C 1.536 0.405 0 C-N-CA 124.445 1.098 . . . . 10.0 112.312 175.708 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -50.72 -37.75 43.39 Favored 'General case' 0 CA--C 1.546 0.826 0 N-CA-C 113.541 0.941 . . . . 10.0 113.541 177.485 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -83.33 -23.69 32.43 Favored 'General case' 0 CA--C 1.551 1.006 0 N-CA-C 115.299 1.592 . . . . 10.0 115.299 176.452 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 32' ' ' ASN . . . . . . . . . . . . . 56.2 m-80 -129.93 11.47 5.6 Favored 'General case' 0 CA--C 1.549 0.92 0 N-CA-C 116.736 2.125 . . . . 10.0 116.736 -169.109 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 33' ' ' TYR . . . . . . . . . . . . . 44.4 p90 -50.59 -30.92 14.43 Favored 'General case' 0 N--CA 1.479 0.986 0 N-CA-C 115.207 1.558 . . . . 10.0 115.207 -174.635 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 34' ' ' TRP . . . . . . . . . . . . . 66.2 p-90 -50.03 -34.36 21.11 Favored 'General case' 0 CA--C 1.545 0.772 0 C-N-CA 126.189 1.795 . . . . 10.0 114.472 174.507 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 31.9 mt-30 -70.01 -32.62 70.87 Favored 'General case' 0 N--CA 1.474 0.743 0 N-CA-C 114.34 1.237 . . . . 10.0 114.34 178.552 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 36' ' ' PHE . . . . . . . . . . . . . 68.9 m-85 -79.21 154.94 77.23 Favored Pre-proline 0 CA--C 1.547 0.859 0 C-N-CA 126.221 1.809 . . . . 10.0 114.803 -168.954 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 69.7 Cg_endo -74.08 133.32 17.89 Favored 'Trans proline' 0 CA--C 1.541 0.858 0 C-N-CA 124.008 3.139 . . . . 10.0 110.983 169.866 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 6.3 t70 -85.13 -34.45 22.14 Favored 'General case' 0 N--CA 1.474 0.751 0 C-N-CA 124.067 0.947 . . . . 10.0 111.423 171.369 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . -133.68 174.62 20.67 Favored Glycine 0 CA--C 1.532 1.135 0 C-N-CA 125.686 1.612 . . . . 10.0 112.132 171.991 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 40' ' ' ILE . . . . . . . . . . . . . 96.3 mt -136.69 126.15 37.94 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.628 0 C-N-CA 125.069 1.347 . . . . 10.0 108.562 176.978 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 41' ' ' TYR . . . . . . . . . . . . . 75.5 t80 -71.95 95.48 1.58 Allowed 'General case' 0 CA--C 1.536 0.426 0 C-N-CA 124.077 0.951 . . . . 10.0 109.59 169.848 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 42' ' ' TYR . . . . . . . . . . . . . 88.7 t80 -153.71 134.63 13.86 Favored 'General case' 0 C--O 1.236 0.379 0 C-N-CA 124.924 1.29 . . . . 10.0 109.961 174.281 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 47.0 mt-10 -130.94 80.36 1.94 Allowed 'General case' 0 N--CA 1.469 0.511 0 C-N-CA 125.36 1.464 . . . . 10.0 110.293 -177.339 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . -69.65 -29.26 71.4 Favored Glycine 0 CA--C 1.536 1.362 0 C-N-CA 124.9 1.238 . . . . 10.0 114.006 178.379 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 45' ' ' CYS . . . . . . . . . . . . . 64.5 m -58.29 127.07 30.26 Favored 'General case' 0 CA--C 1.543 0.705 0 C-N-CA 126.293 1.837 . . . . 10.0 112.894 -178.533 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 23.8 t -141.7 -58.71 0.48 Allowed 'General case' 0 N--CA 1.471 0.606 0 C-N-CA 125.59 1.556 . . . . 10.0 111.505 177.207 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 11.2 pt-20 -148.12 160.38 42.96 Favored 'General case' 0 N--CA 1.472 0.645 0 C-N-CA 125.802 1.641 . . . . 10.0 112.006 -179.93 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -55.5 -22.29 20.45 Favored 'General case' 0 CA--C 1.545 0.772 0 N-CA-C 115.811 1.782 . . . . 10.0 115.811 -175.22 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 74.2 m-20 -64.05 -30.54 71.6 Favored 'General case' 0 CA--C 1.546 0.799 0 C-N-CA 124.349 1.06 . . . . 10.0 113.333 171.814 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . 48.5 t -66.11 126.78 26.13 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.842 0 C-N-CA 124.335 1.054 . . . . 10.0 109.02 169.908 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 3.3 m -110.11 165.55 11.66 Favored 'General case' 0 N--CA 1.481 1.095 0 C-N-CA 124.295 1.038 . . . . 10.0 110.328 -176.723 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 82.9 tttt -58.45 -50.63 73.01 Favored 'General case' 0 N--CA 1.472 0.668 0 O-C-N 121.043 -1.036 . . . . 10.0 112.486 177.775 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 46.0 mt-10 -51.62 -45.25 63.2 Favored 'General case' 0 N--CA 1.475 0.802 0 C-N-CA 124.008 0.923 . . . . 10.0 112.48 175.388 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 54' ' ' MET . . . . . . . . . . . . . 89.6 mtp -58.18 -55.33 36.36 Favored 'General case' 0 N--CA 1.471 0.583 0 C-N-CA 124.579 1.152 . . . . 10.0 111.49 172.4 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 8.9 tt -58.68 -52.6 65.02 Favored 'General case' 0 CA--C 1.534 0.348 0 C-N-CA 125.1 1.36 . . . . 10.0 112.773 -176.805 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 46.0 t -58.07 -48.8 83.44 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.909 0 C-N-CA 124.319 1.048 . . . . 10.0 111.051 -178.888 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 57' ' ' THR . . . . . . . . . . . . . 48.7 m -58.27 -50.3 74.09 Favored 'General case' 0 N--CA 1.476 0.856 0 C-N-CA 124.253 1.021 . . . . 10.0 111.781 174.949 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 50.1 m -60.96 -39.79 90.87 Favored 'General case' 0 N--CA 1.472 0.649 0 C-N-CA 124.279 1.032 . . . . 10.0 112.589 178.089 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 59' ' ' CYS . . . . . . . . . . . . . 38.2 t -58.89 -49.55 77.35 Favored 'General case' 0 CA--C 1.536 0.421 0 C-N-CA 126.06 1.744 . . . . 10.0 112.391 173.526 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 60' ' ' VAL . . . . . . . . . . . . . 54.3 t -54.7 -49.61 66.78 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.96 0 C-N-CA 123.931 0.892 . . . . 10.0 111.346 172.241 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 61' ' ' ASN . . . . . . . . . . . . . 19.6 m-80 -58.26 -46.04 86.72 Favored 'General case' 0 CA--C 1.546 0.802 0 C-N-CA 124.731 1.212 . . . . 10.0 113.18 175.558 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -60.88 -47.24 87.27 Favored 'General case' 0 CA--C 1.537 0.453 0 C-N-CA 124.469 1.108 . . . . 10.0 111.31 175.376 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 63' ' ' THR . . . . . . . . . . . . . 28.5 m -55.92 -48.43 75.7 Favored 'General case' 0 N--CA 1.471 0.622 0 C-N-CA 125.135 1.374 . . . . 10.0 111.611 176.916 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 64' ' ' GLN . . . . . . . . . . . . . 68.8 mt-30 -49.81 -60.2 3.12 Favored 'General case' 0 N--CA 1.47 0.573 0 C-N-CA 124.689 1.196 . . . . 10.0 111.843 171.138 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -56.09 -42.89 77.43 Favored 'General case' 0 CA--C 1.544 0.716 0 C-N-CA 125.624 1.569 . . . . 10.0 113.712 -179.29 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -68.61 -42.67 77.79 Favored 'General case' 0 CA--C 1.542 0.667 0 C-N-CA 124.996 1.318 . . . . 10.0 114.101 -179.241 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 67' ' ' ASN . . . . . . . . . . . . . 7.6 m-80 -115.88 39.46 3.03 Favored 'General case' 0 CA--C 1.546 0.789 0 C-N-CA 124.544 1.138 . . . . 10.0 112.532 -169.683 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 68' ' ' GLN . . . . . . . . . . . . . 59.5 mt-30 -51.49 -48.32 62.92 Favored 'General case' 0 N--CA 1.475 0.778 0 C-N-CA 125.631 1.572 . . . . 10.0 113.258 -177.141 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -55.11 -48.78 73.15 Favored 'General case' 0 CA--C 1.541 0.62 0 C-N-CA 125.088 1.355 . . . . 10.0 113.041 179.802 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 10.0 mm-40 -54.36 -56.47 18.23 Favored 'General case' 0 N--CA 1.473 0.693 0 C-N-CA 124.945 1.298 . . . . 10.0 111.165 179.111 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 71' ' ' PHE . . . . . . . . . . . . . 26.3 m-85 -58.33 -51.52 69.44 Favored 'General case' 0 CA--C 1.535 0.398 0 C-N-CA 124.327 1.051 . . . . 10.0 112.224 177.5 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 65.7 m -55.5 -49.69 71.91 Favored 'General case' 0 N--CA 1.474 0.761 0 C-N-CA 124.966 1.306 . . . . 10.0 113.036 -178.749 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 73' ' ' ARG . . . . . . . . . . . . . 98.2 mtt180 -59.84 -51.24 70.55 Favored 'General case' 0 N--CA 1.475 0.784 0 C-N-CA 125.536 1.534 . . . . 10.0 112.187 177.857 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 41.8 mm-40 -66.31 -60.01 3.17 Favored 'General case' 0 CA--C 1.541 0.6 0 C-N-CA 124.676 1.191 . . . . 10.0 113.135 -178.596 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 43.0 tttm -35.26 -51.46 0.57 Allowed 'General case' 0 N--CA 1.479 1.022 0 C-N-CA 128.505 2.722 . . . . 10.0 116.212 -169.957 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 76' ' ' GLN . . . . . . . . . . . . . 17.3 mm100 -60.34 -19.88 57.17 Favored 'General case' 0 CA--C 1.545 0.77 0 N-CA-C 114.566 1.321 . . . . 10.0 114.566 -172.433 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 32.2 t70 -130.32 -45.33 1.11 Allowed 'General case' 0 N--CA 1.473 0.713 0 C-N-CA 125.741 1.616 . . . . 10.0 112.579 175.608 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -78.91 53.91 1.48 Allowed 'General case' 0 CA--C 1.545 0.761 0 C-N-CA 127.937 2.495 . . . . 10.0 112.726 -175.436 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 99.3 mttt -59.21 -48.86 80.04 Favored 'General case' 0 N--CA 1.476 0.869 0 C-N-CA 125.806 1.642 . . . . 10.0 112.815 -175.023 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 44.8 tp -59.34 -44.93 92.59 Favored 'General case' 0 N--CA 1.47 0.569 0 C-N-CA 123.656 0.783 . . . . 10.0 111.817 173.963 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 81' ' ' HIS . . . . . . . . . . . . . 17.2 t-160 -52.02 -52.91 47.67 Favored 'General case' 0 N--CA 1.471 0.595 0 CA-C-O 118.384 -0.817 . . . . 10.0 111.477 176.753 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 82' ' ' GLN . . . . . . . . . . . . . 20.6 mm100 -49.68 -54.19 20.11 Favored 'General case' 0 N--CA 1.472 0.636 0 C-N-CA 123.814 0.846 . . . . 10.0 112.554 176.756 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 83' ' ' ARG . . . . . . . . . . . . . 71.5 ttt-85 -51.35 -56.6 12.22 Favored 'General case' 0 N--CA 1.478 0.941 0 C-N-CA 124.345 1.058 . . . . 10.0 112.329 178.052 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 84' ' ' VAL . . . . . . . . . . . . . 45.9 t -58.52 -50.55 78.51 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.924 0 C-N-CA 125.809 1.643 . . . . 10.0 110.984 179.119 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 85' ' ' LEU . . . . . . . . . . . . . 48.9 tp -55.18 -50.34 69.59 Favored 'General case' 0 CA--C 1.537 0.476 0 C-N-CA 126.446 1.898 . . . . 10.0 112.313 177.461 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 86' ' ' TRP . . . . . . . . . . . . . 61.0 m95 -60.82 -43.68 97.89 Favored 'General case' 0 N--CA 1.47 0.528 0 N-CA-C 113.885 1.069 . . . . 10.0 113.885 175.489 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 87' ' ' ARG . . . . . . . . . . . . . 37.4 tpt85 -55.68 -45.51 77.76 Favored 'General case' 0 N--CA 1.476 0.849 0 C-N-CA 123.602 0.761 . . . . 10.0 112.116 173.246 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 88' ' ' LEU . . . . . . . . . . . . . 34.1 tp -64.51 -49.69 70.32 Favored 'General case' 0 CA--C 1.541 0.61 0 C-N-CA 125.037 1.335 . . . . 10.0 112.956 173.289 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 89' ' ' ILE . . . . . . . . . . . . . 66.8 mt -50.04 -49.39 21.9 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.82 0 CA-C-N 119.422 1.01 . . . . 10.0 110.429 173.649 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 85.4 tttt -56.82 -47.88 79.29 Favored 'General case' 0 N--CA 1.469 0.477 0 CA-C-O 118.123 -0.942 . . . . 10.0 112.699 173.463 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 25.2 tp10 -51.35 -50.82 58.75 Favored 'General case' 0 N--CA 1.475 0.794 0 CA-C-N 119.816 1.189 . . . . 10.0 112.34 173.562 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 92' ' ' ILE . . . . . . . . . . . . . 93.8 mt -58.1 -52.44 58.59 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.771 0 C-N-CA 124.837 1.255 . . . . 10.0 111.155 175.442 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 93' ' ' CYS . . . . . . . . . . . . . 81.1 m -56.26 -45.94 79.87 Favored 'General case' 0 CA--C 1.545 0.787 0 C-N-CA 124.403 1.081 . . . . 10.0 112.639 178.066 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 58.0 m -60.38 -38.45 83.99 Favored 'General case' 0 N--CA 1.475 0.782 0 C-N-CA 125.552 1.541 . . . . 10.0 113.68 171.806 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . -64.95 -51.64 60.7 Favored 'General case' 0 CA--C 1.544 0.718 0 C-N-CA 124.569 1.148 . . . . 10.0 113.118 -179.372 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 96' ' ' LYS . . . . . . . . . . . . . 1.5 ptpm? -59.81 119.15 7.13 Favored 'General case' 0 N--CA 1.48 1.033 0 C-N-CA 123.772 0.829 . . . . 10.0 111.897 178.849 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 97' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER -130.62 141.96 50.44 Favored 'General case' 0 N--CA 1.468 0.459 0 C-N-CA 126.063 1.745 . . . . 10.0 113.957 -169.888 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 98' ' ' CYS . . . . . . . . . . . . . 34.1 m -83.43 131.77 35.01 Favored 'General case' 0 CA--C 1.537 0.473 0 C-N-CA 123.53 0.732 . . . . 10.0 112.256 -179.477 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 99' ' ' ASP . . . . . . . . . . . . . 31.9 t70 -59.21 -38.96 81.21 Favored 'General case' 0 CA--C 1.543 0.702 0 C-N-CA 124.778 1.231 . . . . 10.0 113.022 178.138 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 100' ' ' PHE . . . . . . . . . . . . . 5.8 p90 -68.96 -14.24 62.92 Favored 'General case' 0 CA--C 1.544 0.721 0 N-CA-C 115.39 1.626 . . . . 10.0 115.39 -178.838 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 101' ' ' TRP . . . . . . . . . . . . . 22.1 m0 -57.96 129.83 43.76 Favored 'General case' 0 N--CA 1.472 0.674 0 CA-C-N 120.067 1.303 . . . . 10.0 112.672 -176.494 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 102' ' ' LEU . . . . . . . . . . . . . 4.3 pp -146.96 168.1 22.32 Favored 'General case' 0 CA--C 1.54 0.56 0 C-N-CA 127.124 2.17 . . . . 10.0 111.489 -170.43 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 46.5 mt-10 -76.37 92.86 3.39 Favored 'General case' 0 CA--C 1.542 0.665 0 C-N-CA 123.872 0.869 . . . . 10.0 110.942 176.246 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 104' ' ' ARG . . . . . . . . . . . . . 24.1 mtm180 -66.28 153.7 41.89 Favored 'General case' 0 N--CA 1.476 0.872 0 C-N-CA 124.672 1.189 . . . . 10.0 111.547 173.986 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 105' ' ' GLY . . . . . . . . . . . . . . . -137.46 131.09 5.37 Favored Glycine 0 CA--C 1.532 1.136 0 C-N-CA 125.252 1.406 . . . . 10.0 112.601 -179.036 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 106' ' ' ALA . . . . . . . . . . . . . . . -147.92 152.46 37.58 Favored 'General case' 0 CA--C 1.545 0.788 0 C-N-CA 126.139 1.776 . . . . 10.0 111.503 178.556 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 107' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.253 1.251 0 C-N-CA 125.349 1.46 . . . . 10.0 113.025 177.164 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' 1' ' ' ARG . . . . . . . . . . . . . 72.7 ttp85 . . . . . 0 N--CA 1.489 1.517 0 CA-C-O 119.232 -0.413 . . . . 10.0 110.793 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' 2' ' ' VAL . . . . . . . . . . . . . 9.9 p -109.99 147.09 14.55 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.964 0 C-N-CA 125.96 1.704 . . . . 10.0 111.725 -179.394 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -70.79 155.19 41.08 Favored 'General case' 0 CA--C 1.545 0.768 0 C-N-CA 124.249 1.02 . . . . 10.0 112.421 174.022 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 29.1 mm-40 -66.71 -31.03 71.42 Favored 'General case' 0 N--CA 1.474 0.731 0 C-N-CA 124.301 1.041 . . . . 10.0 111.807 170.713 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 5' ' ' ASN . . . . . . . . . . . . . 13.6 t-20 -78.2 59.46 2.27 Favored 'General case' 0 CA--C 1.548 0.894 0 C-N-CA 126.117 1.767 . . . . 10.0 110.71 172.74 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -83.34 157.84 64.55 Favored Pre-proline 0 CA--C 1.546 0.802 0 C-N-CA 127.011 2.124 . . . . 10.0 112.154 171.978 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 7' ' ' PRO . . . . . . . . . . . . . 82.4 Cg_exo -48.68 124.72 11.46 Favored 'Trans proline' 0 C--N 1.35 0.651 0 C-N-CA 123.984 3.123 . . . . 10.0 113.662 178.808 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . 112.17 -20.37 21.51 Favored Glycine 0 CA--C 1.534 1.257 0 C-N-CA 126.184 1.849 . . . . 10.0 114.149 -174.019 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -57.93 129.82 43.66 Favored 'General case' 0 CA--C 1.547 0.838 0 CA-C-N 119.318 1.559 . . . . 10.0 113.445 -171.793 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 10' ' ' PHE . . . . . . . . . . . . . 14.7 m-30 -57.16 144.84 33.44 Favored 'General case' 0 CA--C 1.541 0.625 0 C-N-CA 125.055 1.342 . . . . 10.0 112.816 173.628 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 73.7 mt -122.33 105.66 16.56 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.509 0 C-N-CA 125.357 1.463 . . . . 10.0 107.165 169.799 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 78.5 mttt -106.64 107.38 18.36 Favored 'General case' 0 N--CA 1.471 0.615 0 C-N-CA 126.063 1.745 . . . . 10.0 109.638 178.069 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 31.8 mt-30 -112.78 -40.47 4.01 Favored 'General case' 0 CA--C 1.538 0.512 0 C-N-CA 127.616 2.367 . . . . 10.0 110.789 -178.459 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . 106.35 62.72 0.6 Allowed Glycine 0 CA--C 1.528 0.891 0 C-N-CA 125.825 1.679 . . . . 10.0 111.038 179.351 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 57.7 ttp85 -136.4 102.54 4.99 Favored 'General case' 0 N--CA 1.469 0.523 0 C-N-CA 126.538 1.935 . . . . 10.0 110.42 -169.665 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 40.9 tttm -65.91 129.95 41.56 Favored 'General case' 0 N--CA 1.473 0.702 0 C-N-CA 124.391 1.076 . . . . 10.0 111.307 179.348 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 65.0 mt -95.2 -179.87 4.95 Favored 'General case' 0 CA--C 1.547 0.84 0 C-N-CA 126.451 1.9 . . . . 10.0 111.986 174.25 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 25.9 t70 -129.18 100.42 5.61 Favored 'General case' 0 CA--C 1.542 0.651 0 C-N-CA 125.365 1.466 . . . . 10.0 110.501 173.616 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . 73.1 mt -135.32 131.89 52.04 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.707 0 C-N-CA 127.472 2.309 . . . . 10.0 108.018 -176.097 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 24.1 t0 -89.74 84.68 6.3 Favored 'General case' 0 CA--C 1.54 0.576 0 CA-C-O 122.048 0.928 . . . . 10.0 110.955 172.529 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 21' ' ' PHE . . . . . . . . . . . . . 83.8 m-85 -62.91 -43.16 99.54 Favored 'General case' 0 CA--C 1.539 0.553 0 C-N-CA 127.0 2.12 . . . . 10.0 111.89 170.837 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 132.16 157.47 8.64 Favored Glycine 0 CA--C 1.532 1.115 0 C-N-CA 128.186 2.803 . . . . 10.0 109.087 -169.306 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -40.63 -59.29 1.4 Allowed 'General case' 0 CA--C 1.547 0.848 0 CA-C-N 119.354 1.577 . . . . 10.0 115.151 -169.612 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 5.3 tp10 -65.7 -40.11 91.95 Favored 'General case' 0 N--CA 1.474 0.76 0 C-N-CA 124.01 0.924 . . . . 10.0 112.869 -179.553 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -67.49 -41.63 90.14 Favored Glycine 0 CA--C 1.533 1.204 0 C-N-CA 124.41 1.005 . . . . 10.0 113.66 177.344 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 78.5 m-20 -56.09 -50.53 70.77 Favored 'General case' 0 CA--C 1.535 0.399 0 C-N-CA 126.434 1.894 . . . . 10.0 110.27 172.354 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 30.8 mtp85 -55.09 -51.83 65.13 Favored 'General case' 0 N--CA 1.475 0.807 0 C-N-CA 125.613 1.565 . . . . 10.0 111.151 174.122 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 28' ' ' TYR . . . . . . . . . . . . . 62.6 t80 -57.77 -54.81 42.7 Favored 'General case' 0 CA--C 1.536 0.429 0 C-N-CA 124.369 1.068 . . . . 10.0 112.675 179.148 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 29' ' ' TYR . . . . . . . . . . . . . 78.8 t80 -56.62 -52.39 65.03 Favored 'General case' 0 CA--C 1.537 0.481 0 C-N-CA 124.249 1.02 . . . . 10.0 112.204 177.028 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -51.06 -39.66 56.51 Favored 'General case' 0 CA--C 1.546 0.792 0 N-CA-C 113.507 0.929 . . . . 10.0 113.507 177.087 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -80.66 -26.16 37.8 Favored 'General case' 0 CA--C 1.551 1.004 0 N-CA-C 115.18 1.548 . . . . 10.0 115.18 176.562 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 32' ' ' ASN . . . . . . . . . . . . . 55.6 m-80 -127.93 10.69 6.5 Favored 'General case' 0 CA--C 1.548 0.866 0 N-CA-C 116.914 2.19 . . . . 10.0 116.914 -169.021 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 33' ' ' TYR . . . . . . . . . . . . . 47.3 p90 -50.24 -31.53 14.28 Favored 'General case' 0 N--CA 1.479 1.004 0 C-N-CA 125.394 1.477 . . . . 10.0 114.834 -175.371 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 34' ' ' TRP . . . . . . . . . . . . . 64.9 p-90 -50.64 -33.65 23.25 Favored 'General case' 0 CA--C 1.545 0.781 0 C-N-CA 126.142 1.777 . . . . 10.0 114.445 173.803 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 30.7 mt-30 -69.59 -35.64 75.52 Favored 'General case' 0 N--CA 1.474 0.731 0 C-N-CA 124.354 1.062 . . . . 10.0 113.491 176.392 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 36' ' ' PHE . . . . . . . . . . . . . 54.3 m-85 -76.57 153.16 83.56 Favored Pre-proline 0 CA--C 1.544 0.724 0 C-N-CA 125.887 1.675 . . . . 10.0 113.256 -169.652 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 87.7 Cg_endo -73.36 102.71 1.51 Allowed 'Trans proline' 0 CA--C 1.537 0.638 0 C-N-CA 123.428 2.752 . . . . 10.0 109.951 169.591 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 3.3 p30 -66.67 -27.82 67.96 Favored 'General case' 0 N--CA 1.474 0.77 0 O-C-N 120.777 -1.202 . . . . 10.0 112.292 176.402 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . -125.95 165.44 19.12 Favored Glycine 0 CA--C 1.536 1.376 0 C-N-CA 125.404 1.478 . . . . 10.0 111.332 169.105 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 40' ' ' ILE . . . . . . . . . . . . . 95.2 mt -136.68 124.73 34.13 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.781 0 C-N-CA 124.802 1.241 . . . . 10.0 108.717 173.408 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 41' ' ' TYR . . . . . . . . . . . . . 85.7 t80 -73.23 117.68 15.27 Favored 'General case' 0 CA--C 1.534 0.357 0 C-N-CA 124.047 0.939 . . . . 10.0 109.494 169.961 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 42' ' ' TYR . . . . . . . . . . . . . 79.6 t80 -152.63 154.29 35.05 Favored 'General case' 0 CA--C 1.54 0.567 0 C-N-CA 124.004 0.922 . . . . 10.0 111.611 176.611 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 44.7 mt-10 -125.88 94.21 4.05 Favored 'General case' 0 N--CA 1.469 0.514 0 C-N-CA 125.873 1.669 . . . . 10.0 110.233 -176.691 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . -90.96 -55.64 1.84 Allowed Glycine 0 CA--C 1.532 1.102 0 C-N-CA 125.166 1.365 . . . . 10.0 113.978 -172.618 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 45' ' ' CYS . . . . . . . . . . . . . 74.3 m -56.64 118.88 5.29 Favored 'General case' 0 CA--C 1.546 0.808 0 C-N-CA 125.426 1.491 . . . . 10.0 112.551 177.685 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 66.6 p -137.84 -58.72 0.67 Allowed 'General case' 0 N--CA 1.473 0.679 0 C-N-CA 126.175 1.79 . . . . 10.0 111.353 171.077 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 12.2 pt-20 -143.72 153.23 42.24 Favored 'General case' 0 CA--C 1.542 0.67 0 C-N-CA 126.168 1.787 . . . . 10.0 112.761 177.048 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -54.05 -25.37 21.17 Favored 'General case' 0 CA--C 1.546 0.793 0 C-N-CA 126.138 1.775 . . . . 10.0 115.423 -175.262 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 78.5 m-20 -60.61 -30.7 70.01 Favored 'General case' 0 CA--C 1.544 0.741 0 C-N-CA 124.675 1.19 . . . . 10.0 113.353 174.729 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . 59.8 t -65.52 109.9 1.1 Allowed 'Isoleucine or valine' 0 N--CA 1.477 0.879 0 C-N-CA 124.822 1.249 . . . . 10.0 110.183 175.475 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 44.2 p -83.01 174.97 10.41 Favored 'General case' 0 N--CA 1.478 0.943 0 C-N-CA 124.673 1.189 . . . . 10.0 112.113 175.771 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 84.9 tttt -60.03 -50.0 75.46 Favored 'General case' 0 N--CA 1.474 0.773 0 O-C-N 121.163 -0.961 . . . . 10.0 111.799 169.806 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 44.9 mt-10 -51.29 -48.6 62.22 Favored 'General case' 0 N--CA 1.471 0.594 0 C-N-CA 124.072 0.949 . . . . 10.0 111.726 175.428 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 54' ' ' MET . . . . . . . . . . . . . 97.2 mtp -57.07 -56.26 24.08 Favored 'General case' 0 N--CA 1.469 0.479 0 C-N-CA 124.027 0.931 . . . . 10.0 112.441 172.029 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 6.4 tt -58.47 -55.18 38.4 Favored 'General case' 0 CA--C 1.54 0.559 0 C-N-CA 124.943 1.297 . . . . 10.0 112.18 -174.616 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 99.6 t -57.42 -48.65 82.31 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.822 0 C-N-CA 125.679 1.592 . . . . 10.0 111.252 -179.722 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 57' ' ' THR . . . . . . . . . . . . . 63.8 m -61.42 -47.76 84.3 Favored 'General case' 0 N--CA 1.478 0.947 0 C-N-CA 124.183 0.993 . . . . 10.0 111.749 176.691 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 61.6 m -60.04 -38.57 83.16 Favored 'General case' 0 N--CA 1.47 0.554 0 C-N-CA 124.221 1.008 . . . . 10.0 112.357 176.57 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 59' ' ' CYS . . . . . . . . . . . . . 34.6 t -57.65 -49.64 75.79 Favored 'General case' 0 CA--C 1.539 0.524 0 C-N-CA 124.988 1.315 . . . . 10.0 112.9 171.588 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 60' ' ' VAL . . . . . . . . . . . . . 42.4 t -55.67 -48.98 77.06 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.135 0 CA-C-N 119.258 0.935 . . . . 10.0 111.585 172.666 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 61' ' ' ASN . . . . . . . . . . . . . 18.2 m-80 -58.78 -45.24 90.26 Favored 'General case' 0 CA--C 1.544 0.726 0 C-N-CA 124.554 1.142 . . . . 10.0 112.949 176.076 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -61.54 -46.15 91.14 Favored 'General case' 0 CA--C 1.538 0.516 0 C-N-CA 124.411 1.085 . . . . 10.0 111.371 175.032 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 63' ' ' THR . . . . . . . . . . . . . 33.9 m -54.87 -49.01 72.21 Favored 'General case' 0 N--CA 1.472 0.644 0 C-N-CA 125.447 1.499 . . . . 10.0 111.757 175.865 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 64' ' ' GLN . . . . . . . . . . . . . 71.2 mt-30 -50.26 -59.35 4.05 Favored 'General case' 0 N--CA 1.469 0.522 0 C-N-CA 124.594 1.157 . . . . 10.0 112.054 171.753 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -56.04 -42.19 76.17 Favored 'General case' 0 CA--C 1.546 0.798 0 C-N-CA 125.441 1.496 . . . . 10.0 113.744 179.819 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -70.65 -35.64 72.99 Favored 'General case' 0 CA--C 1.545 0.757 0 C-N-CA 125.234 1.414 . . . . 10.0 114.656 -178.788 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 67' ' ' ASN . . . . . . . . . . . . . 7.1 m-80 -124.73 40.35 3.76 Favored 'General case' 0 N--CA 1.476 0.845 0 C-N-CA 124.042 0.937 . . . . 10.0 113.108 -169.631 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 68' ' ' GLN . . . . . . . . . . . . . 92.1 mt-30 -52.89 -46.7 68.09 Favored 'General case' 0 N--CA 1.475 0.793 0 C-N-CA 125.806 1.642 . . . . 10.0 113.611 -176.046 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -55.03 -49.32 71.87 Favored 'General case' 0 CA--C 1.541 0.613 0 C-N-CA 124.993 1.317 . . . . 10.0 112.767 179.796 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 10.4 mm-40 -56.39 -51.57 67.83 Favored 'General case' 0 N--CA 1.471 0.582 0 C-N-CA 124.941 1.297 . . . . 10.0 111.862 178.831 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 71' ' ' PHE . . . . . . . . . . . . . 34.6 m-85 -61.03 -43.12 99.36 Favored 'General case' 0 N--CA 1.468 0.473 0 C-N-CA 123.749 0.819 . . . . 10.0 112.851 175.922 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 56.9 m -58.1 -49.96 75.15 Favored 'General case' 0 N--CA 1.473 0.71 0 C-N-CA 124.451 1.1 . . . . 10.0 112.187 176.195 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 73' ' ' ARG . . . . . . . . . . . . . 93.7 mtt180 -58.38 -61.16 2.78 Favored 'General case' 0 N--CA 1.475 0.808 0 C-N-CA 126.273 1.829 . . . . 10.0 111.994 176.252 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 67.1 mm-40 -79.92 47.23 0.86 Allowed 'General case' 0 N--CA 1.473 0.714 0 C-N-CA 125.821 1.648 . . . . 10.0 112.714 -173.854 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 84.4 tttt -147.29 -33.55 0.27 Allowed 'General case' 0 N--CA 1.475 0.795 0 C-N-CA 126.705 2.002 . . . . 10.0 113.32 178.758 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 76' ' ' GLN . . . . . . . . . . . . . 92.6 mm-40 -48.14 -48.12 34.37 Favored 'General case' 0 N--CA 1.476 0.865 0 C-N-CA 125.629 1.572 . . . . 10.0 113.185 -177.883 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 25.4 t0 -139.51 57.22 1.64 Allowed 'General case' 0 CA--C 1.545 0.763 0 C-N-CA 125.284 1.433 . . . . 10.0 110.344 169.947 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 10.7 t -153.54 131.2 11.5 Favored 'General case' 0 N--CA 1.472 0.656 0 C-N-CA 125.34 1.456 . . . . 10.0 111.46 -178.867 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 24.4 ttmm -124.57 -59.59 1.44 Allowed 'General case' 0 N--CA 1.478 0.933 0 C-N-CA 126.22 1.808 . . . . 10.0 111.358 -177.151 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 50.1 tp -51.25 -44.01 61.64 Favored 'General case' 0 CA--C 1.538 0.515 0 C-N-CA 125.514 1.525 . . . . 10.0 112.203 176.767 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 81' ' ' HIS . . . . . . . . . . . . . 8.7 t-160 -56.28 -54.16 48.72 Favored 'General case' 0 N--CA 1.468 0.462 0 CA-C-O 118.078 -0.963 . . . . 10.0 111.806 177.064 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 82' ' ' GLN . . . . . . . . . . . . . 89.2 mm-40 -49.9 -54.41 19.8 Favored 'General case' 0 N--CA 1.477 0.91 0 CA-C-N 119.539 1.063 . . . . 10.0 112.176 177.015 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 83' ' ' ARG . . . . . . . . . . . . . 25.7 mmm180 -50.98 -55.68 16.14 Favored 'General case' 0 N--CA 1.479 0.977 0 C-N-CA 124.916 1.287 . . . . 10.0 112.296 -179.817 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 84' ' ' VAL . . . . . . . . . . . . . 43.4 t -63.19 -49.51 82.91 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.819 0 C-N-CA 125.408 1.483 . . . . 10.0 111.108 178.292 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 85' ' ' LEU . . . . . . . . . . . . . 46.2 tp -56.29 -46.41 79.77 Favored 'General case' 0 N--CA 1.47 0.545 0 C-N-CA 126.277 1.831 . . . . 10.0 112.939 -179.923 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 86' ' ' TRP . . . . . . . . . . . . . 64.9 m95 -63.5 -44.21 94.98 Favored 'General case' 0 N--CA 1.467 0.408 0 N-CA-C 113.719 1.007 . . . . 10.0 113.719 175.841 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 87' ' ' ARG . . . . . . . . . . . . . 14.8 tpt180 -56.82 -50.82 71.23 Favored 'General case' 0 N--CA 1.475 0.794 0 CA-C-N 118.741 0.7 . . . . 10.0 111.507 170.585 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 88' ' ' LEU . . . . . . . . . . . . . 2.4 tm? -51.66 -55.07 21.54 Favored 'General case' 0 CA--C 1.544 0.726 0 C-N-CA 126.389 1.876 . . . . 10.0 111.782 175.44 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 89' ' ' ILE . . . . . . . . . . . . . 74.2 mt -53.53 -52.47 32.72 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.798 0 C-N-CA 124.683 1.193 . . . . 10.0 110.965 174.074 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 39.9 ttmt -58.84 -43.46 90.71 Favored 'General case' 0 N--CA 1.47 0.571 0 C-N-CA 124.431 1.092 . . . . 10.0 113.259 -179.688 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 51.4 mm-40 -56.35 -48.89 75.88 Favored 'General case' 0 N--CA 1.473 0.719 0 CA-C-N 119.713 1.142 . . . . 10.0 111.996 172.464 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 92' ' ' ILE . . . . . . . . . . . . . 96.8 mt -57.82 -51.42 70.54 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.802 0 C-N-CA 124.186 0.994 . . . . 10.0 111.115 174.296 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 93' ' ' CYS . . . . . . . . . . . . . 92.1 m -56.97 -45.47 82.89 Favored 'General case' 0 CA--C 1.546 0.798 0 C-N-CA 124.096 0.958 . . . . 10.0 112.66 175.603 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 70.5 m -54.76 -38.04 66.71 Favored 'General case' 0 N--CA 1.476 0.874 0 C-N-CA 125.989 1.716 . . . . 10.0 113.546 177.156 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . -67.17 -17.08 64.68 Favored 'General case' 0 CA--C 1.548 0.892 0 N-CA-C 114.789 1.403 . . . . 10.0 114.789 178.455 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 96' ' ' LYS . . . . . . . . . . . . . 46.4 mttm -77.25 59.62 1.82 Allowed 'General case' 0 N--CA 1.481 1.114 0 C-N-CA 125.6 1.56 . . . . 10.0 113.168 -173.929 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 97' ' ' HIS . . . . . 0.413 ' HA ' ' CZ3' ' A' ' 101' ' ' TRP . 0.3 OUTLIER -68.45 126.25 29.04 Favored 'General case' 0 N--CA 1.471 0.618 0 C-N-CA 124.665 1.186 . . . . 10.0 112.428 177.754 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 98' ' ' CYS . . . . . . . . . . . . . 17.7 t -82.28 144.67 30.45 Favored 'General case' 0 CA--C 1.542 0.641 0 N-CA-C 113.315 0.858 . . . . 10.0 113.315 -178.248 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 99' ' ' ASP . . . . . . . . . . . . . 31.5 t70 -61.46 -48.3 81.75 Favored 'General case' 0 CA--C 1.542 0.654 0 C-N-CA 125.995 1.718 . . . . 10.0 113.582 179.208 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 100' ' ' PHE . . . . . . . . . . . . . 1.0 OUTLIER -71.55 -10.45 59.78 Favored 'General case' 0 N--CA 1.473 0.681 0 N-CA-C 115.432 1.641 . . . . 10.0 115.432 -173.397 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 101' ' ' TRP . . . . . 0.413 ' CZ3' ' HA ' ' A' ' 97' ' ' HIS . 42.2 m0 -55.99 129.93 41.77 Favored 'General case' 0 N--CA 1.473 0.709 0 CA-C-N 119.684 1.129 . . . . 10.0 113.674 -176.986 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 102' ' ' LEU . . . . . . . . . . . . . 7.0 mp -70.22 156.33 39.39 Favored 'General case' 0 CA--C 1.542 0.661 0 C-N-CA 126.366 1.866 . . . . 10.0 111.877 -176.468 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 38.6 tt0 -72.06 104.45 3.58 Favored 'General case' 0 CA--C 1.543 0.679 0 C-N-CA 124.073 0.949 . . . . 10.0 110.949 174.144 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 104' ' ' ARG . . . . . . . . . . . . . 9.4 mmm180 -125.97 152.52 45.57 Favored 'General case' 0 N--CA 1.477 0.888 0 C-N-CA 126.076 1.75 . . . . 10.0 111.609 179.267 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 105' ' ' GLY . . . . . . . . . . . . . . . -83.57 166.01 43.07 Favored Glycine 0 CA--C 1.536 1.404 0 C-N-CA 124.755 1.169 . . . . 10.0 113.652 177.88 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 106' ' ' ALA . . . . . . . . . . . . . . . -66.97 152.12 46.34 Favored 'General case' 0 CA--C 1.547 0.864 0 C-N-CA 124.622 1.169 . . . . 10.0 112.812 176.044 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 107' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.255 1.379 0 C-N-CA 126.57 1.948 . . . . 10.0 112.028 178.798 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' 1' ' ' ARG . . . . . . . . . . . . . 39.8 ptt180 . . . . . 0 N--CA 1.491 1.6 0 N-CA-C 111.504 0.187 . . . . 10.0 111.504 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' 2' ' ' VAL . . . . . . . . . . . . . 30.3 t -91.65 -82.4 0.17 Allowed 'Isoleucine or valine' 0 N--CA 1.481 1.088 0 C-N-CA 124.639 1.176 . . . . 10.0 111.296 -176.912 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -153.92 -159.7 1.01 Allowed 'General case' 0 CA--C 1.55 0.943 0 C-N-CA 125.192 1.397 . . . . 10.0 112.187 -171.439 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 46.1 mt-10 -60.25 -33.21 71.97 Favored 'General case' 0 N--CA 1.477 0.877 0 C-N-CA 126.333 1.853 . . . . 10.0 113.242 175.144 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 5' ' ' ASN . . . . . . . . . . . . . 2.5 m120 -121.57 66.75 0.89 Allowed 'General case' 0 CA--C 1.54 0.562 0 C-N-CA 126.315 1.846 . . . . 10.0 109.742 175.41 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 4.0 ptp180 -72.61 146.21 88.24 Favored Pre-proline 0 N--CA 1.475 0.816 0 C-N-CA 124.746 1.219 . . . . 10.0 109.7 169.162 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 7' ' ' PRO . . . . . . . . . . . . . 75.2 Cg_exo -50.58 114.77 1.6 Allowed 'Trans proline' 0 CA--C 1.541 0.828 0 C-N-CA 123.043 2.495 . . . . 10.0 112.414 175.77 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . 111.09 -10.99 29.21 Favored Glycine 0 CA--C 1.539 1.54 0 C-N-CA 126.404 1.954 . . . . 10.0 115.081 -173.95 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -59.2 130.64 47.94 Favored 'General case' 0 CA--C 1.545 0.769 0 CA-C-N 120.21 2.005 . . . . 10.0 113.405 -173.045 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 10' ' ' PHE . . . . . . . . . . . . . 15.3 m-30 -58.6 147.0 33.99 Favored 'General case' 0 CA--C 1.541 0.625 0 C-N-CA 123.853 0.861 . . . . 10.0 112.572 170.715 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 65.1 mt -120.92 94.93 3.23 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.468 0 C-N-CA 125.878 1.671 . . . . 10.0 106.995 169.725 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 58.5 mtmt -91.71 80.51 5.31 Favored 'General case' 0 N--CA 1.475 0.792 0 C-N-CA 125.598 1.559 . . . . 10.0 111.119 -173.303 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 24.3 mt-30 -74.21 -31.59 62.69 Favored 'General case' 0 N--CA 1.472 0.655 0 C-N-CA 123.795 0.838 . . . . 10.0 111.478 169.962 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . 74.35 58.91 4.07 Favored Glycine 0 CA--C 1.532 1.136 0 C-N-CA 124.895 1.236 . . . . 10.0 112.063 178.535 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 33.7 ttp180 -124.16 133.24 53.62 Favored 'General case' 0 N--CA 1.473 0.686 0 C-N-CA 127.226 2.211 . . . . 10.0 110.304 -172.359 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 79.8 tttt -73.21 100.93 3.22 Favored 'General case' 0 N--CA 1.475 0.777 0 C-N-CA 125.487 1.515 . . . . 10.0 111.888 -176.076 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 68.9 mt -78.95 163.21 25.42 Favored 'General case' 0 CA--C 1.544 0.734 0 C-N-CA 126.567 1.947 . . . . 10.0 112.356 177.109 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 11.4 m-20 -103.77 91.39 3.98 Favored 'General case' 0 CA--C 1.544 0.732 0 C-N-CA 126.112 1.765 . . . . 10.0 110.473 175.621 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . 78.9 mt -136.92 129.95 44.97 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.892 0 C-N-CA 126.608 1.963 . . . . 10.0 108.564 -179.202 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 23.0 t0 -92.23 84.93 5.29 Favored 'General case' 0 N--CA 1.471 0.588 0 C-N-CA 123.998 0.919 . . . . 10.0 110.594 172.525 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 21' ' ' PHE . . . . . . . . . . . . . 84.7 m-85 -63.78 -36.48 84.02 Favored 'General case' 0 CA--C 1.538 0.493 0 C-N-CA 127.104 2.161 . . . . 10.0 112.808 175.739 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 125.93 158.9 10.09 Favored Glycine 0 CA--C 1.533 1.211 0 C-N-CA 127.656 2.55 . . . . 10.0 110.154 -169.471 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -42.6 -57.05 2.85 Favored 'General case' 0 CA--C 1.548 0.868 0 N-CA-C 115.384 1.624 . . . . 10.0 115.384 -169.729 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 31.2 mm-40 -64.14 -47.39 80.12 Favored 'General case' 0 N--CA 1.473 0.716 0 C-N-CA 124.074 0.95 . . . . 10.0 112.188 178.973 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -64.15 -39.1 96.83 Favored Glycine 0 CA--C 1.532 1.096 0 C-N-CA 124.457 1.027 . . . . 10.0 113.975 179.832 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 94.2 m-20 -57.77 -51.39 69.74 Favored 'General case' 0 CA--C 1.536 0.431 0 C-N-CA 125.754 1.622 . . . . 10.0 110.452 173.651 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 72.9 mtp85 -58.57 -47.17 85.16 Favored 'General case' 0 N--CA 1.475 0.79 0 C-N-CA 124.938 1.295 . . . . 10.0 111.644 176.038 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 28' ' ' TYR . . . . . . . . . . . . . 71.5 t80 -59.19 -54.15 50.23 Favored 'General case' 0 CA--C 1.536 0.407 0 C-N-CA 124.574 1.149 . . . . 10.0 111.896 177.727 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 29' ' ' TYR . . . . . . . . . . . . . 74.0 t80 -56.64 -52.02 66.49 Favored 'General case' 0 CA--C 1.535 0.391 0 C-N-CA 124.917 1.287 . . . . 10.0 112.537 177.514 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -50.36 -35.77 29.41 Favored 'General case' 0 CA--C 1.546 0.809 0 N-CA-C 113.802 1.038 . . . . 10.0 113.802 177.06 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -86.25 -19.01 30.59 Favored 'General case' 0 CA--C 1.551 1.005 0 N-CA-C 115.151 1.537 . . . . 10.0 115.151 176.345 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 32' ' ' ASN . . . . . . . . . . . . . 64.0 m-80 -131.16 6.44 4.55 Favored 'General case' 0 CA--C 1.548 0.888 0 N-CA-C 116.842 2.164 . . . . 10.0 116.842 -169.239 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 33' ' ' TYR . . . . . . . . . . . . . 41.0 p90 -50.22 -29.85 10.32 Favored 'General case' 0 N--CA 1.479 0.976 0 C-N-CA 125.906 1.682 . . . . 10.0 115.256 -175.125 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 34' ' ' TRP . . . . . . . . . . . . . 64.7 p-90 -51.34 -35.64 39.21 Favored 'General case' 0 CA--C 1.545 0.762 0 C-N-CA 126.138 1.775 . . . . 10.0 114.041 173.105 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 30.1 mt-30 -70.55 -39.56 73.9 Favored 'General case' 0 N--CA 1.473 0.709 0 C-N-CA 124.897 1.279 . . . . 10.0 113.801 177.731 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 36' ' ' PHE . . . . . . . . . . . . . 71.7 m-85 -68.52 153.45 95.71 Favored Pre-proline 0 CA--C 1.546 0.791 0 C-N-CA 125.823 1.649 . . . . 10.0 115.333 -168.968 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 97.4 Cg_endo -71.77 128.24 13.98 Favored 'Trans proline' 0 CA--C 1.539 0.754 0 C-N-CA 123.591 2.86 . . . . 10.0 110.449 169.803 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 8.6 t70 -84.7 -34.47 22.95 Favored 'General case' 0 CA--C 1.543 0.676 0 C-N-CA 124.977 1.311 . . . . 10.0 111.525 173.445 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . -131.87 172.02 21.12 Favored Glycine 0 CA--C 1.532 1.13 0 C-N-CA 125.835 1.683 . . . . 10.0 111.886 171.341 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 40' ' ' ILE . . . . . . . . . . . . . 96.8 mt -136.74 124.54 33.26 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.568 0 C-N-CA 125.038 1.335 . . . . 10.0 108.367 173.836 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 41' ' ' TYR . . . . . . . . . . . . . 86.3 t80 -71.61 101.15 2.44 Favored 'General case' 0 CA--C 1.538 0.496 0 C-N-CA 123.79 0.836 . . . . 10.0 110.05 170.272 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 42' ' ' TYR . . . . . . . . . . . . . 89.5 t80 -156.62 137.1 13.06 Favored 'General case' 0 CA--C 1.534 0.343 0 C-N-CA 125.337 1.455 . . . . 10.0 110.02 173.043 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 43.9 mt-10 -131.5 81.38 1.98 Allowed 'General case' 0 N--CA 1.47 0.551 0 C-N-CA 125.465 1.506 . . . . 10.0 110.462 -174.562 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . -76.09 -38.63 34.54 Favored Glycine 0 CA--C 1.534 1.255 0 C-N-CA 124.866 1.222 . . . . 10.0 113.848 -179.465 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 45' ' ' CYS . . . . . . . . . . . . . 63.8 m -55.83 112.15 1.1 Allowed 'General case' 0 CA--C 1.543 0.679 0 C-N-CA 125.995 1.718 . . . . 10.0 112.507 -176.782 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 49.6 m -131.83 -57.27 0.99 Allowed 'General case' 0 N--CA 1.474 0.75 0 C-N-CA 125.723 1.609 . . . . 10.0 111.713 -175.198 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 11.2 pt-20 -149.59 160.74 43.24 Favored 'General case' 0 CA--C 1.541 0.6 0 C-N-CA 125.943 1.697 . . . . 10.0 111.652 179.9 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -53.05 -27.45 19.84 Favored 'General case' 0 CA--C 1.547 0.829 0 C-N-CA 126.041 1.736 . . . . 10.0 115.358 -175.292 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 73.9 m-20 -62.43 -30.71 71.43 Favored 'General case' 0 CA--C 1.545 0.753 0 C-N-CA 124.65 1.18 . . . . 10.0 113.555 174.941 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . 61.7 t -68.47 117.57 10.9 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.884 0 C-N-CA 124.69 1.196 . . . . 10.0 109.692 173.792 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 44.8 p -97.55 176.64 5.78 Favored 'General case' 0 N--CA 1.478 0.948 0 C-N-CA 124.705 1.202 . . . . 10.0 112.354 179.428 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 39.8 ttpt -61.59 -56.09 23.73 Favored 'General case' 0 N--CA 1.473 0.677 0 C-N-CA 123.842 0.857 . . . . 10.0 112.177 172.132 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 12.6 pt-20 -54.16 -38.79 65.92 Favored 'General case' 0 N--CA 1.472 0.66 0 N-CA-C 112.747 0.647 . . . . 10.0 112.747 177.543 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 54' ' ' MET . . . . . . . . . . . . . 94.3 mtp -59.99 -58.21 9.54 Favored 'General case' 0 N--CA 1.469 0.494 0 C-N-CA 123.586 0.754 . . . . 10.0 111.527 169.564 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 9.4 tt -59.27 -53.89 53.11 Favored 'General case' 0 N--CA 1.467 0.385 0 C-N-CA 124.341 1.057 . . . . 10.0 112.768 -174.513 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 31.8 t -59.03 -47.46 89.88 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.851 0 C-N-CA 124.179 0.991 . . . . 10.0 111.019 -176.203 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 57' ' ' THR . . . . . . . . . . . . . 48.0 m -58.83 -50.3 74.48 Favored 'General case' 0 N--CA 1.477 0.884 0 C-N-CA 124.432 1.093 . . . . 10.0 111.873 173.939 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 50.5 m -60.44 -40.48 91.29 Favored 'General case' 0 N--CA 1.473 0.689 0 C-N-CA 124.106 0.962 . . . . 10.0 112.577 178.262 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 59' ' ' CYS . . . . . . . . . . . . . 42.2 t -58.92 -50.1 75.32 Favored 'General case' 0 CA--C 1.536 0.433 0 C-N-CA 125.999 1.72 . . . . 10.0 112.337 173.467 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 60' ' ' VAL . . . . . . . . . . . . . 45.6 t -54.29 -50.28 57.62 Favored 'Isoleucine or valine' 0 N--CA 1.479 1.002 0 C-N-CA 123.904 0.882 . . . . 10.0 111.302 171.657 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 61' ' ' ASN . . . . . . . . . . . . . 15.8 m-80 -57.94 -44.79 87.17 Favored 'General case' 0 CA--C 1.544 0.75 0 C-N-CA 124.59 1.156 . . . . 10.0 113.334 176.218 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -60.89 -48.65 80.85 Favored 'General case' 0 CA--C 1.539 0.554 0 C-N-CA 124.211 1.004 . . . . 10.0 111.056 174.116 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 63' ' ' THR . . . . . . . . . . . . . 32.4 m -53.67 -50.14 66.46 Favored 'General case' 0 N--CA 1.471 0.617 0 C-N-CA 125.571 1.548 . . . . 10.0 111.723 177.073 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 64' ' ' GLN . . . . . . . . . . . . . 42.1 mt-30 -47.35 -60.85 2.22 Favored 'General case' 0 N--CA 1.471 0.597 0 C-N-CA 125.432 1.493 . . . . 10.0 111.985 173.156 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -56.93 -42.86 80.8 Favored 'General case' 0 CA--C 1.544 0.713 0 C-N-CA 125.637 1.575 . . . . 10.0 113.227 179.462 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -67.16 -37.76 84.29 Favored 'General case' 0 CA--C 1.543 0.695 0 C-N-CA 125.221 1.409 . . . . 10.0 114.712 -178.131 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 67' ' ' ASN . . . . . . . . . . . . . 8.6 m-80 -122.05 41.14 3.46 Favored 'General case' 0 CA--C 1.548 0.87 0 C-N-CA 124.538 1.135 . . . . 10.0 112.68 -169.79 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 68' ' ' GLN . . . . . . . . . . . . . 60.3 mt-30 -54.24 -44.86 72.13 Favored 'General case' 0 N--CA 1.475 0.799 0 C-N-CA 125.461 1.504 . . . . 10.0 113.362 -178.684 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -56.88 -39.18 73.88 Favored 'General case' 0 CA--C 1.543 0.69 0 C-N-CA 124.969 1.308 . . . . 10.0 113.279 177.683 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 5.5 mm-40 -64.63 -58.69 5.64 Favored 'General case' 0 N--CA 1.469 0.504 0 C-N-CA 124.502 1.121 . . . . 10.0 110.425 173.984 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 71' ' ' PHE . . . . . . . . . . . . . 30.0 m-85 -61.31 -29.07 69.65 Favored 'General case' 0 N--CA 1.471 0.589 0 N-CA-C 114.718 1.377 . . . . 10.0 114.718 -177.54 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 66.3 m -63.93 -57.2 10.49 Favored 'General case' 0 N--CA 1.473 0.686 0 C-N-CA 123.94 0.896 . . . . 10.0 111.758 172.696 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 73' ' ' ARG . . . . . . . . . . . . . 13.2 mtp-105 -65.35 -53.26 46.18 Favored 'General case' 0 N--CA 1.475 0.814 0 C-N-CA 126.118 1.767 . . . . 10.0 112.712 -179.861 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 76.1 mm-40 -79.84 46.8 0.81 Allowed 'General case' 0 CA--C 1.546 0.805 0 C-N-CA 126.045 1.738 . . . . 10.0 112.766 -174.876 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 41.4 ttmt -155.31 -61.46 0.11 Allowed 'General case' 0 N--CA 1.471 0.61 0 C-N-CA 128.831 2.852 . . . . 10.0 110.526 -176.187 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 76' ' ' GLN . . . . . . . . . . . . . 81.8 mm-40 -56.37 -54.02 50.43 Favored 'General case' 0 CA--C 1.538 0.491 0 C-N-CA 125.574 1.55 . . . . 10.0 111.696 178.874 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 26.8 t70 -83.56 -57.55 3.19 Favored 'General case' 0 CA--C 1.543 0.688 0 C-N-CA 123.786 0.835 . . . . 10.0 111.4 171.373 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 16.3 m -80.82 86.22 6.03 Favored 'General case' 0 N--CA 1.472 0.634 0 C-N-CA 125.12 1.368 . . . . 10.0 112.998 -173.24 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 63.0 tttp -55.45 -63.64 1.1 Allowed 'General case' 0 N--CA 1.477 0.918 0 C-N-CA 126.049 1.74 . . . . 10.0 113.429 -178.194 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 48.0 tp -66.34 -31.01 71.54 Favored 'General case' 0 N--CA 1.474 0.73 0 C-N-CA 125.047 1.339 . . . . 10.0 113.611 -175.147 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 81' ' ' HIS . . . . . . . . . . . . . 7.4 t-160 -51.68 -45.07 63.31 Favored 'General case' 0 N--CA 1.472 0.645 0 C-N-CA 124.585 1.154 . . . . 10.0 112.886 -171.466 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 82' ' ' GLN . . . . . . . . . . . . . 75.9 mm-40 -45.73 -59.54 2.72 Favored 'General case' 0 N--CA 1.475 0.787 0 C-N-CA 125.414 1.486 . . . . 10.0 113.366 178.059 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 83' ' ' ARG . . . . . . . . . . . . . 11.0 tpt180 -46.0 -57.06 4.73 Favored 'General case' 0 N--CA 1.481 1.118 0 C-N-CA 125.886 1.674 . . . . 10.0 111.839 177.825 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 84' ' ' VAL . . . . . . . . . . . . . 5.7 t -61.96 -54.08 39.27 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.589 0 C-N-CA 125.559 1.544 . . . . 10.0 110.85 -178.22 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 85' ' ' LEU . . . . . . . . . . . . . 32.8 tp -56.46 -50.9 70.36 Favored 'General case' 0 CA--C 1.537 0.478 0 C-N-CA 126.202 1.801 . . . . 10.0 112.619 -179.354 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 86' ' ' TRP . . . . . . . . . . . . . 59.7 m95 -60.29 -43.37 96.34 Favored 'General case' 0 N--CA 1.468 0.472 0 N-CA-C 113.673 0.99 . . . . 10.0 113.673 176.329 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 87' ' ' ARG . . . . . . . . . . . . . 14.4 tpt180 -56.66 -49.95 73.53 Favored 'General case' 0 N--CA 1.471 0.624 0 CA-C-N 118.832 0.742 . . . . 10.0 111.072 172.425 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 88' ' ' LEU . . . . . . . . . . . . . 1.5 tt -54.65 -52.98 60.62 Favored 'General case' 0 CA--C 1.545 0.768 0 C-N-CA 124.515 1.126 . . . . 10.0 111.801 175.83 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 89' ' ' ILE . . . . . . . . . . . . . 74.4 mt -50.3 -52.06 16.19 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.73 0 C-N-CA 124.831 1.252 . . . . 10.0 111.062 174.065 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 96.9 mttt -59.47 -44.45 93.01 Favored 'General case' 0 N--CA 1.473 0.707 0 C-N-CA 124.401 1.081 . . . . 10.0 113.428 177.624 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 65.9 mm-40 -53.53 -51.57 62.44 Favored 'General case' 0 N--CA 1.474 0.746 0 CA-C-N 119.71 1.141 . . . . 10.0 111.765 170.887 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 92' ' ' ILE . . . . . . . . . . . . . 96.7 mt -57.65 -53.5 43.85 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.935 0 C-N-CA 124.269 1.028 . . . . 10.0 111.651 175.331 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 93' ' ' CYS . . . . . . . . . . . . . 62.8 m -56.37 -40.2 74.17 Favored 'General case' 0 CA--C 1.545 0.762 0 C-N-CA 124.707 1.203 . . . . 10.0 112.52 179.419 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 50.5 m -63.31 -45.63 90.43 Favored 'General case' 0 N--CA 1.476 0.842 0 C-N-CA 125.046 1.339 . . . . 10.0 112.7 171.477 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . -59.99 -39.58 86.23 Favored 'General case' 0 CA--C 1.545 0.759 0 C-N-CA 125.492 1.517 . . . . 10.0 114.225 -175.58 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 96' ' ' LYS . . . . . . . . . . . . . 1.1 ptpm? -72.99 49.8 0.25 Allowed 'General case' 0 N--CA 1.485 1.287 0 C-N-CA 125.739 1.615 . . . . 10.0 113.995 178.414 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 97' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -64.66 142.15 58.53 Favored 'General case' 0 N--CA 1.472 0.655 0 C-N-CA 127.127 2.171 . . . . 10.0 113.619 179.092 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 98' ' ' CYS . . . . . . . . . . . . . 33.1 m -79.48 137.82 37.35 Favored 'General case' 0 CA--C 1.539 0.539 0 C-N-CA 123.329 0.651 . . . . 10.0 112.29 177.816 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 99' ' ' ASP . . . . . . . . . . . . . 31.8 t70 -61.81 -39.48 91.91 Favored 'General case' 0 CA--C 1.544 0.712 0 C-N-CA 124.705 1.202 . . . . 10.0 112.877 176.645 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 100' ' ' PHE . . . . . . . . . . . . . 6.1 p90 -68.66 -13.67 62.52 Favored 'General case' 0 CA--C 1.544 0.714 0 N-CA-C 115.738 1.755 . . . . 10.0 115.738 -175.536 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 101' ' ' TRP . . . . . . . . . . . . . 42.7 m0 -57.09 116.35 3.18 Favored 'General case' 0 N--CA 1.474 0.764 0 CA-C-N 119.942 1.246 . . . . 10.0 112.692 -178.117 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 102' ' ' LEU . . . . . . . . . . . . . 5.3 mp -76.51 153.65 35.31 Favored 'General case' 0 CA--C 1.541 0.61 0 C-N-CA 125.587 1.555 . . . . 10.0 112.266 -176.247 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 38.9 tt0 -63.81 -40.62 97.05 Favored 'General case' 0 CA--C 1.545 0.782 0 C-N-CA 124.365 1.066 . . . . 10.0 111.31 169.582 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 104' ' ' ARG . . . . . . . . . . . . . 1.9 tmm_? -135.29 120.89 19.39 Favored 'General case' 0 N--CA 1.472 0.654 0 C-N-CA 127.281 2.232 . . . . 10.0 110.126 178.78 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 105' ' ' GLY . . . . . . . . . . . . . . . -89.9 165.82 32.16 Favored Glycine 0 CA--C 1.536 1.401 0 C-N-CA 124.771 1.177 . . . . 10.0 112.962 173.654 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 106' ' ' ALA . . . . . . . . . . . . . . . -144.44 146.53 32.52 Favored 'General case' 0 CA--C 1.545 0.763 0 C-N-CA 125.267 1.427 . . . . 10.0 112.01 -179.783 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 107' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.253 1.241 0 C-N-CA 125.579 1.552 . . . . 10.0 112.956 176.997 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 1' ' ' ARG . . . . . . . . . . . . . 31.9 tpt85 . . . . . 0 N--CA 1.488 1.448 0 N-CA-C 110.169 -0.308 . . . . 10.0 110.169 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 2' ' ' VAL . . . . . . . . . . . . . 14.4 p -60.14 135.57 24.67 Favored 'Isoleucine or valine' 0 N--CA 1.479 0.999 0 C-N-CA 124.376 1.07 . . . . 10.0 111.776 174.597 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -80.02 93.93 5.83 Favored 'General case' 0 CA--C 1.541 0.622 0 C-N-CA 124.491 1.117 . . . . 10.0 110.765 173.574 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 12.5 pt-20 -75.77 -39.4 57.13 Favored 'General case' 0 N--CA 1.473 0.683 0 C-N-CA 124.116 0.966 . . . . 10.0 111.893 172.804 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 5' ' ' ASN . . . . . . . . . . . . . 14.8 t-20 -79.97 62.83 4.31 Favored 'General case' 0 CA--C 1.546 0.798 0 C-N-CA 126.087 1.755 . . . . 10.0 110.566 173.373 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 14.1 ptp180 -94.42 156.06 39.05 Favored Pre-proline 0 N--CA 1.476 0.836 0 C-N-CA 126.299 1.84 . . . . 10.0 111.577 173.258 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 7' ' ' PRO . . . . . . . . . . . . . 84.1 Cg_exo -48.18 118.72 3.38 Favored 'Trans proline' 0 CA--C 1.54 0.787 0 C-N-CA 123.603 2.868 . . . . 10.0 112.791 175.427 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . 116.78 -21.97 10.99 Favored Glycine 0 CA--C 1.536 1.395 0 C-N-CA 127.091 2.281 . . . . 10.0 114.247 -171.38 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -59.16 134.1 56.69 Favored 'General case' 0 CA--C 1.545 0.77 0 CA-C-N 119.698 1.749 . . . . 10.0 113.137 -170.786 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 10' ' ' PHE . . . . . . . . . . . . . 19.9 m-30 -60.17 149.09 33.93 Favored 'General case' 0 CA--C 1.541 0.607 0 O-C-N 121.409 -0.807 . . . . 10.0 112.89 174.835 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 66.5 mt -117.81 96.23 4.31 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.464 0 C-N-CA 125.973 1.709 . . . . 10.0 106.568 169.506 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 58.8 mtmt -94.58 79.86 3.82 Favored 'General case' 0 N--CA 1.474 0.744 0 C-N-CA 125.356 1.462 . . . . 10.0 110.896 -173.239 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 26.1 mt-30 -72.95 -29.92 63.46 Favored 'General case' 0 N--CA 1.472 0.653 0 C-N-CA 124.038 0.935 . . . . 10.0 111.247 169.861 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . 75.68 22.2 75.42 Favored Glycine 0 CA--C 1.535 1.301 0 C-N-CA 124.913 1.244 . . . . 10.0 113.694 -179.86 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 24.9 ttp180 -71.08 136.06 48.05 Favored 'General case' 0 N--CA 1.471 0.614 0 C-N-CA 126.571 1.949 . . . . 10.0 110.819 175.699 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 77.1 tttt -77.36 98.83 5.36 Favored 'General case' 0 N--CA 1.473 0.721 0 C-N-CA 124.896 1.279 . . . . 10.0 110.675 175.6 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 85.9 mt -74.24 176.91 6.21 Favored 'General case' 0 CA--C 1.546 0.8 0 C-N-CA 125.938 1.695 . . . . 10.0 112.529 179.047 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 18.9 t0 -127.17 95.01 4.16 Favored 'General case' 0 CA--C 1.541 0.63 0 C-N-CA 125.922 1.689 . . . . 10.0 110.507 175.729 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . 71.5 mt -135.13 130.2 51.3 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.742 0 C-N-CA 127.341 2.257 . . . . 10.0 108.061 -176.993 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 23.4 t0 -87.21 84.3 7.27 Favored 'General case' 0 CA--C 1.539 0.537 0 CA-C-O 121.962 0.887 . . . . 10.0 110.678 171.775 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 21' ' ' PHE . . . . . . . . . . . . . 87.1 m-85 -62.14 -42.45 99.26 Favored 'General case' 0 CA--C 1.54 0.596 0 C-N-CA 126.573 1.949 . . . . 10.0 111.74 171.696 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 127.87 163.2 11.31 Favored Glycine 0 CA--C 1.533 1.206 0 C-N-CA 127.635 2.54 . . . . 10.0 110.384 -169.604 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -43.29 -54.52 4.56 Favored 'General case' 0 CA--C 1.547 0.861 0 N-CA-C 115.434 1.642 . . . . 10.0 115.434 -169.853 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 52.1 mt-10 -61.16 -52.65 63.97 Favored 'General case' 0 N--CA 1.473 0.7 0 C-N-CA 124.786 1.234 . . . . 10.0 111.787 177.91 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -67.5 -37.69 90.1 Favored Glycine 0 CA--C 1.53 0.994 0 C-N-CA 124.836 1.207 . . . . 10.0 114.183 -175.984 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 88.0 m-20 -57.22 -52.74 64.1 Favored 'General case' 0 CA--C 1.535 0.372 0 C-N-CA 125.712 1.605 . . . . 10.0 110.072 173.844 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 94.9 mtt-85 -59.27 -46.79 87.57 Favored 'General case' 0 N--CA 1.474 0.76 0 C-N-CA 124.662 1.185 . . . . 10.0 111.888 176.423 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 28' ' ' TYR . . . . . . . . . . . . . 73.9 t80 -59.35 -55.62 32.44 Favored 'General case' 0 CA--C 1.535 0.391 0 C-N-CA 124.295 1.038 . . . . 10.0 112.182 177.985 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 29' ' ' TYR . . . . . . . . . . . . . 78.3 t80 -56.79 -50.85 71.09 Favored 'General case' 0 CA--C 1.535 0.394 0 C-N-CA 124.641 1.176 . . . . 10.0 112.285 178.198 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -50.51 -31.26 14.94 Favored 'General case' 0 CA--C 1.547 0.846 0 N-CA-C 114.072 1.138 . . . . 10.0 114.072 177.1 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -92.91 -23.55 18.73 Favored 'General case' 0 CA--C 1.553 1.059 0 C-N-CA 126.007 1.723 . . . . 10.0 115.04 176.815 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 32' ' ' ASN . . . . . . . . . . . . . 59.8 m-80 -126.65 7.89 6.91 Favored 'General case' 0 N--CA 1.477 0.909 0 N-CA-C 116.155 1.909 . . . . 10.0 116.155 -169.288 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 33' ' ' TYR . . . . . . . . . . . . . 55.2 p90 -46.18 -34.6 4.43 Favored 'General case' 0 N--CA 1.477 0.885 0 C-N-CA 127.236 2.214 . . . . 10.0 115.276 -177.32 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 34' ' ' TRP . . . . . . . . . . . . . 64.7 p-90 -50.65 -35.09 28.95 Favored 'General case' 0 CA--C 1.545 0.781 0 C-N-CA 126.349 1.86 . . . . 10.0 114.427 176.297 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 32.0 mt-30 -69.33 -40.13 77.77 Favored 'General case' 0 N--CA 1.474 0.76 0 C-N-CA 124.604 1.162 . . . . 10.0 113.665 178.222 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 36' ' ' PHE . . . . . . . . . . . . . 82.4 m-85 -69.21 155.4 93.62 Favored Pre-proline 0 CA--C 1.546 0.805 0 C-N-CA 126.592 1.957 . . . . 10.0 115.399 -169.053 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 70.8 Cg_endo -73.41 142.94 34.04 Favored 'Trans proline' 0 CA--C 1.539 0.772 0 C-N-CA 123.492 2.795 . . . . 10.0 110.855 169.574 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 6.3 t70 -94.6 -36.76 11.66 Favored 'General case' 0 CA--C 1.54 0.591 0 C-N-CA 125.394 1.478 . . . . 10.0 111.386 172.876 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . -134.8 176.76 19.76 Favored Glycine 0 CA--C 1.532 1.149 0 C-N-CA 125.78 1.657 . . . . 10.0 112.11 171.579 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 40' ' ' ILE . . . . . . . . . . . . . 97.1 mt -135.05 124.49 42.96 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.549 0 C-N-CA 125.248 1.419 . . . . 10.0 108.463 176.245 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 41' ' ' TYR . . . . . . . . . . . . . 64.9 t80 -72.25 88.41 1.15 Allowed 'General case' 0 CA--C 1.536 0.424 0 C-N-CA 125.079 1.352 . . . . 10.0 109.767 171.792 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 42' ' ' TYR . . . . . . . . . . . . . 88.5 t80 -149.12 131.04 15.21 Favored 'General case' 0 C--O 1.235 0.304 0 C-N-CA 125.017 1.327 . . . . 10.0 109.969 175.686 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 47.4 mt-10 -128.75 70.42 1.39 Allowed 'General case' 0 CA--C 1.539 0.533 0 C-N-CA 125.806 1.642 . . . . 10.0 109.776 -173.28 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . -63.16 -31.48 80.87 Favored Glycine 0 CA--C 1.536 1.378 0 C-N-CA 125.089 1.328 . . . . 10.0 114.499 -177.673 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 45' ' ' CYS . . . . . . . . . . . . . 83.1 m -55.54 109.23 0.52 Allowed 'General case' 0 CA--C 1.543 0.703 0 C-N-CA 126.133 1.773 . . . . 10.0 112.491 -178.967 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 51.0 m -125.81 -56.25 1.48 Allowed 'General case' 0 N--CA 1.474 0.747 0 C-N-CA 125.708 1.603 . . . . 10.0 111.96 -176.456 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 12.2 pt-20 -149.38 158.14 43.91 Favored 'General case' 0 N--CA 1.471 0.602 0 C-N-CA 125.923 1.689 . . . . 10.0 111.593 179.694 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -52.81 -27.87 20.05 Favored 'General case' 0 CA--C 1.545 0.785 0 N-CA-C 115.28 1.585 . . . . 10.0 115.28 -176.376 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 82.6 m-20 -65.15 -27.55 68.8 Favored 'General case' 0 CA--C 1.546 0.824 0 C-N-CA 124.761 1.225 . . . . 10.0 113.889 175.421 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . 60.7 t -65.82 115.48 3.98 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.913 0 C-N-CA 124.674 1.19 . . . . 10.0 109.262 172.168 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 53.8 p -88.12 173.05 9.06 Favored 'General case' 0 N--CA 1.477 0.886 0 C-N-CA 123.718 0.807 . . . . 10.0 112.02 178.929 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 82.2 tttt -62.41 -52.1 64.9 Favored 'General case' 0 N--CA 1.471 0.616 0 O-C-N 121.322 -0.861 . . . . 10.0 111.931 171.05 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 12.5 pt-20 -54.32 -40.01 67.56 Favored 'General case' 0 N--CA 1.473 0.701 0 N-CA-C 112.846 0.684 . . . . 10.0 112.846 176.178 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 54' ' ' MET . . . . . . . . . . . . . 92.8 mtp -58.19 -58.42 8.55 Favored 'General case' 0 N--CA 1.47 0.564 0 C-N-CA 123.575 0.75 . . . . 10.0 111.472 169.529 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 8.9 tt -59.39 -53.03 62.84 Favored 'General case' 0 CA--C 1.536 0.408 0 C-N-CA 124.461 1.105 . . . . 10.0 113.035 -174.382 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 88.0 t -57.0 -47.09 84.07 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.868 0 C-N-CA 125.375 1.47 . . . . 10.0 111.106 -178.58 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 57' ' ' THR . . . . . . . . . . . . . 45.0 m -62.81 -47.45 83.41 Favored 'General case' 0 N--CA 1.477 0.92 0 C-N-CA 124.287 1.035 . . . . 10.0 111.683 174.9 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 48.9 m -59.39 -37.55 78.26 Favored 'General case' 0 N--CA 1.471 0.611 0 C-N-CA 124.228 1.011 . . . . 10.0 112.578 176.784 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 59' ' ' CYS . . . . . . . . . . . . . 36.2 t -57.71 -50.2 74.0 Favored 'General case' 0 CA--C 1.536 0.407 0 C-N-CA 125.494 1.518 . . . . 10.0 112.663 172.689 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 60' ' ' VAL . . . . . . . . . . . . . 54.6 t -54.94 -49.82 67.56 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.071 0 CA-C-N 119.444 1.02 . . . . 10.0 111.355 172.663 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 61' ' ' ASN . . . . . . . . . . . . . 21.1 m-80 -58.1 -45.54 87.07 Favored 'General case' 0 CA--C 1.546 0.796 0 C-N-CA 124.514 1.126 . . . . 10.0 112.995 176.616 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -61.1 -48.43 81.71 Favored 'General case' 0 CA--C 1.538 0.502 0 C-N-CA 124.442 1.097 . . . . 10.0 111.241 174.881 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 63' ' ' THR . . . . . . . . . . . . . 29.7 m -54.23 -49.46 69.41 Favored 'General case' 0 N--CA 1.471 0.621 0 C-N-CA 125.416 1.486 . . . . 10.0 111.634 177.37 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 64' ' ' GLN . . . . . . . . . . . . . 81.2 mt-30 -50.69 -58.38 6.01 Favored 'General case' 0 CA--C 1.539 0.545 0 C-N-CA 125.056 1.342 . . . . 10.0 111.946 172.154 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -57.47 -39.76 77.07 Favored 'General case' 0 CA--C 1.546 0.805 0 C-N-CA 125.635 1.574 . . . . 10.0 114.126 179.973 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -74.28 -41.6 60.96 Favored 'General case' 0 CA--C 1.543 0.684 0 C-N-CA 125.039 1.336 . . . . 10.0 114.169 -179.333 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 67' ' ' ASN . . . . . . . . . . . . . 11.2 m-80 -114.19 38.31 3.07 Favored 'General case' 0 N--CA 1.474 0.765 0 C-N-CA 124.4 1.08 . . . . 10.0 112.272 -169.817 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 68' ' ' GLN . . . . . . . . . . . . . 91.2 mt-30 -50.99 -52.39 43.16 Favored 'General case' 0 N--CA 1.472 0.656 0 C-N-CA 125.561 1.544 . . . . 10.0 112.521 -177.747 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -54.65 -46.32 73.97 Favored 'General case' 0 CA--C 1.543 0.697 0 C-N-CA 124.964 1.306 . . . . 10.0 113.271 179.417 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 6.0 mm-40 -55.53 -52.56 63.28 Favored 'General case' 0 N--CA 1.473 0.693 0 C-N-CA 124.825 1.25 . . . . 10.0 111.3 177.41 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 71' ' ' PHE . . . . . . . . . . . . . 33.7 m-85 -61.05 -55.79 28.59 Favored 'General case' 0 CA--C 1.535 0.368 0 C-N-CA 123.924 0.89 . . . . 10.0 112.287 176.079 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 60.7 m -53.72 -49.04 68.97 Favored 'General case' 0 N--CA 1.473 0.707 0 C-N-CA 125.038 1.335 . . . . 10.0 113.599 -178.168 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 73' ' ' ARG . . . . . . . . . . . . . 22.9 mtm105 -55.77 -51.66 66.63 Favored 'General case' 0 N--CA 1.476 0.873 0 C-N-CA 124.197 0.999 . . . . 10.0 112.546 176.787 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 43.9 mm-40 -67.62 -63.64 1.02 Allowed 'General case' 0 CA--C 1.541 0.602 0 C-N-CA 124.287 1.035 . . . . 10.0 113.177 179.161 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 64.8 tttm -44.69 -37.28 3.6 Favored 'General case' 0 N--CA 1.48 1.038 0 C-N-CA 128.384 2.674 . . . . 10.0 115.76 -169.819 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 76' ' ' GLN . . . . . . . . . . . . . 18.8 mm100 -54.57 -27.55 39.69 Favored 'General case' 0 CA--C 1.547 0.845 0 C-N-CA 125.135 1.374 . . . . 10.0 114.395 176.608 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 31.4 t70 -136.72 -39.91 0.63 Allowed 'General case' 0 CA--C 1.547 0.849 0 C-N-CA 125.43 1.492 . . . . 10.0 113.849 -177.445 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 1.6 t -76.37 75.48 3.14 Favored 'General case' 0 CA--C 1.544 0.718 0 C-N-CA 127.732 2.413 . . . . 10.0 113.057 -170.994 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 41.1 ttmt -56.59 -65.79 0.55 Allowed 'General case' 0 N--CA 1.477 0.908 0 C-N-CA 126.41 1.884 . . . . 10.0 113.457 -173.053 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 43.5 tp -62.37 -40.41 96.36 Favored 'General case' 0 N--CA 1.47 0.554 0 C-N-CA 123.989 0.916 . . . . 10.0 112.493 -176.823 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 81' ' ' HIS . . . . . . . . . . . . . 14.2 t-160 -51.0 -49.28 60.74 Favored 'General case' 0 N--CA 1.471 0.6 0 C-N-CA 123.558 0.743 . . . . 10.0 112.395 -177.947 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 82' ' ' GLN . . . . . . . . . . . . . 92.8 mm-40 -50.43 -53.92 25.86 Favored 'General case' 0 N--CA 1.472 0.646 0 C-N-CA 124.169 0.988 . . . . 10.0 112.713 177.597 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 83' ' ' ARG . . . . . . . . . . . . . 74.7 mtp180 -49.48 -55.3 13.74 Favored 'General case' 0 N--CA 1.482 1.127 0 C-N-CA 125.021 1.329 . . . . 10.0 111.947 178.395 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 84' ' ' VAL . . . . . . . . . . . . . 17.0 t -62.04 -51.77 68.49 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.8 0 C-N-CA 126.022 1.729 . . . . 10.0 111.167 179.381 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 85' ' ' LEU . . . . . . . . . . . . . 49.0 tp -56.27 -50.56 71.02 Favored 'General case' 0 N--CA 1.467 0.423 0 C-N-CA 126.079 1.752 . . . . 10.0 112.649 179.86 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 86' ' ' TRP . . . . . . . . . . . . . 72.5 m95 -60.82 -42.2 97.2 Favored 'General case' 0 N--CA 1.469 0.487 0 N-CA-C 113.489 0.922 . . . . 10.0 113.489 176.078 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 87' ' ' ARG . . . . . . . . . . . . . 14.2 tpt180 -56.42 -49.15 75.37 Favored 'General case' 0 N--CA 1.473 0.723 0 CA-C-N 118.712 0.687 . . . . 10.0 111.569 169.953 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 88' ' ' LEU . . . . . . . . . . . . . 1.4 tt -57.45 -50.93 71.43 Favored 'General case' 0 CA--C 1.546 0.801 0 C-N-CA 124.165 0.986 . . . . 10.0 111.99 176.405 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 89' ' ' ILE . . . . . . . . . . . . . 83.6 mt -50.4 -49.05 24.95 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.796 0 C-N-CA 124.539 1.136 . . . . 10.0 110.843 172.45 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 56.2 tttp -59.21 -46.96 87.05 Favored 'General case' 0 N--CA 1.472 0.642 0 C-N-CA 124.332 1.053 . . . . 10.0 113.118 175.345 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 79.7 mm-40 -53.47 -45.95 69.75 Favored 'General case' 0 N--CA 1.476 0.868 0 CA-C-N 119.865 1.211 . . . . 10.0 112.278 172.313 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 92' ' ' ILE . . . . . . . . . . . . . 96.3 mt -61.29 -57.3 12.75 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.838 0 C-N-CA 123.954 0.901 . . . . 10.0 111.137 173.375 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 93' ' ' CYS . . . . . . . . . . . . . 75.7 m -57.25 -48.92 77.63 Favored 'General case' 0 CA--C 1.542 0.651 0 C-N-CA 124.127 0.971 . . . . 10.0 112.647 -177.257 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 80.4 p -60.53 -26.69 67.07 Favored 'General case' 0 N--CA 1.477 0.914 0 N-CA-C 114.719 1.377 . . . . 10.0 114.719 178.175 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . -69.46 -28.34 66.01 Favored 'General case' 0 CA--C 1.548 0.874 0 N-CA-C 113.776 1.028 . . . . 10.0 113.776 172.918 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 96' ' ' LYS . . . . . . . . . . . . . 36.7 mttm -62.84 119.06 8.64 Favored 'General case' 0 N--CA 1.477 0.88 0 C-N-CA 124.964 1.306 . . . . 10.0 112.245 -175.509 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 97' ' ' HIS . . . . . 0.412 ' HA ' ' CZ3' ' A' ' 101' ' ' TRP . 0.2 OUTLIER -130.73 140.74 50.35 Favored 'General case' 0 CA--C 1.537 0.452 0 C-N-CA 126.128 1.771 . . . . 10.0 114.032 -176.718 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 98' ' ' CYS . . . . . . . . . . . . . 40.8 m -97.5 134.66 40.43 Favored 'General case' 0 CA--C 1.537 0.455 0 C-N-CA 123.974 0.909 . . . . 10.0 112.115 179.559 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 99' ' ' ASP . . . . . . . . . . . . . 32.1 t70 -58.2 -38.87 77.58 Favored 'General case' 0 CA--C 1.543 0.679 0 C-N-CA 124.821 1.248 . . . . 10.0 112.946 177.209 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 100' ' ' PHE . . . . . . . . . . . . . 4.2 p90 -69.11 -14.22 62.88 Favored 'General case' 0 CA--C 1.545 0.767 0 N-CA-C 115.562 1.689 . . . . 10.0 115.562 -178.102 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 101' ' ' TRP . . . . . 0.412 ' CZ3' ' HA ' ' A' ' 97' ' ' HIS . 29.1 m0 -60.19 138.43 57.92 Favored 'General case' 0 N--CA 1.473 0.717 0 CA-C-N 120.007 1.276 . . . . 10.0 113.834 -175.23 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 102' ' ' LEU . . . . . . . . . . . . . 2.5 pt? -145.57 -172.06 3.81 Favored 'General case' 0 CA--C 1.547 0.856 0 C-N-CA 127.721 2.408 . . . . 10.0 111.078 179.827 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 45.3 mt-10 -65.33 -20.0 66.21 Favored 'General case' 0 N--CA 1.477 0.913 0 N-CA-C 114.745 1.387 . . . . 10.0 114.745 -176.978 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 104' ' ' ARG . . . . . . . . . . . . . 90.0 mmt-85 -136.97 -175.7 4.12 Favored 'General case' 0 N--CA 1.478 0.946 0 C-N-CA 127.279 2.232 . . . . 10.0 111.559 -177.241 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 105' ' ' GLY . . . . . . . . . . . . . . . -78.34 -157.27 9.98 Favored Glycine 0 CA--C 1.538 1.486 0 C-N-CA 124.92 1.247 . . . . 10.0 113.067 172.428 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 106' ' ' ALA . . . . . . . . . . . . . . . -63.87 140.43 58.87 Favored 'General case' 0 CA--C 1.547 0.858 0 C-N-CA 123.825 0.85 . . . . 10.0 112.542 178.042 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 107' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.255 1.353 0 C-N-CA 126.514 1.925 . . . . 10.0 112.041 -179.99 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' 1' ' ' ARG . . . . . . . . . . . . . 99.7 mtt180 . . . . . 0 N--CA 1.49 1.563 0 N-CA-C 110.571 -0.159 . . . . 10.0 110.571 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' 2' ' ' VAL . . . . . . . . . . . . . 62.0 t -52.88 -48.73 50.47 Favored 'Isoleucine or valine' 0 N--CA 1.484 1.246 0 C-N-CA 125.825 1.65 . . . . 10.0 112.803 -173.653 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -51.81 -36.98 49.8 Favored 'General case' 0 CA--C 1.544 0.745 0 C-N-CA 125.261 1.424 . . . . 10.0 114.309 -178.218 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 44.4 mt-10 -61.41 -28.4 69.23 Favored 'General case' 0 N--CA 1.474 0.767 0 C-N-CA 125.439 1.496 . . . . 10.0 113.633 -179.915 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 5' ' ' ASN . . . . . . . . . . . . . 12.5 t-20 -137.14 59.64 1.68 Allowed 'General case' 0 CA--C 1.546 0.799 0 C-N-CA 126.597 1.959 . . . . 10.0 109.905 176.861 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 28.9 ptt-85 -72.58 148.26 90.14 Favored Pre-proline 0 N--CA 1.473 0.699 0 C-N-CA 126.559 1.944 . . . . 10.0 112.52 179.143 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 7' ' ' PRO . . . . . . . . . . . . . 50.2 Cg_exo -51.44 117.52 3.54 Favored 'Trans proline' 0 CA--C 1.54 0.819 0 C-N-CA 123.551 2.834 . . . . 10.0 112.285 173.885 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . 109.8 -13.83 32.11 Favored Glycine 0 CA--C 1.537 1.427 0 C-N-CA 126.305 1.907 . . . . 10.0 114.357 -172.659 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -60.13 132.04 52.71 Favored 'General case' 0 CA--C 1.546 0.796 0 CA-C-N 119.681 1.741 . . . . 10.0 112.899 -174.428 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 10' ' ' PHE . . . . . . . . . . . . . 21.6 m-85 -61.31 148.77 40.15 Favored 'General case' 0 CA--C 1.54 0.581 0 C-N-CA 123.441 0.696 . . . . 10.0 112.308 172.052 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 66.6 mt -119.78 96.52 4.38 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.421 0 C-N-CA 125.876 1.671 . . . . 10.0 106.537 169.636 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 84.3 mttt -91.28 90.34 7.7 Favored 'General case' 0 N--CA 1.474 0.766 0 C-N-CA 125.244 1.418 . . . . 10.0 110.34 -176.881 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 26.4 mt-30 -80.33 -23.26 40.72 Favored 'General case' 0 CA--C 1.542 0.635 0 C-N-CA 123.953 0.901 . . . . 10.0 112.139 173.989 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . 75.5 58.49 3.85 Favored Glycine 0 CA--C 1.531 1.087 0 C-N-CA 124.826 1.203 . . . . 10.0 112.133 178.147 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 32.6 ttp180 -132.42 131.7 42.04 Favored 'General case' 0 N--CA 1.47 0.555 0 C-N-CA 126.735 2.014 . . . . 10.0 110.797 -171.184 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 34.6 ttmt -77.48 101.59 6.51 Favored 'General case' 0 N--CA 1.473 0.721 0 C-N-CA 124.478 1.111 . . . . 10.0 110.542 177.732 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 73.5 mt -72.29 177.45 4.51 Favored 'General case' 0 CA--C 1.547 0.831 0 C-N-CA 126.006 1.722 . . . . 10.0 112.44 175.242 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 19.7 t0 -123.7 93.72 4.02 Favored 'General case' 0 CA--C 1.543 0.682 0 C-N-CA 125.686 1.594 . . . . 10.0 110.773 176.483 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . 67.4 mt -136.14 135.39 50.08 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.737 0 C-N-CA 127.623 2.369 . . . . 10.0 108.608 -178.678 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 26.1 t70 -87.16 103.89 15.84 Favored 'General case' 0 CA--C 1.538 0.49 0 CA-C-O 121.867 0.841 . . . . 10.0 109.739 169.548 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 21' ' ' PHE . . . . . . . . . . . . . 71.8 m-85 -83.79 -37.11 23.0 Favored 'General case' 0 CA--C 1.54 0.595 0 C-N-CA 127.243 2.217 . . . . 10.0 111.495 171.137 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 127.54 158.02 9.62 Favored Glycine 0 CA--C 1.534 1.237 0 C-N-CA 127.777 2.608 . . . . 10.0 110.209 -169.645 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -42.24 -56.69 2.82 Favored 'General case' 0 CA--C 1.548 0.877 0 N-CA-C 115.49 1.663 . . . . 10.0 115.49 -169.713 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 31.2 mm-40 -63.22 -48.25 79.09 Favored 'General case' 0 N--CA 1.474 0.725 0 C-N-CA 124.208 1.003 . . . . 10.0 112.038 178.466 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -63.51 -39.41 97.63 Favored Glycine 0 CA--C 1.533 1.182 0 C-N-CA 124.972 1.272 . . . . 10.0 114.161 179.772 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 89.9 m-20 -57.68 -51.99 67.28 Favored 'General case' 0 CA--C 1.536 0.408 0 C-N-CA 126.161 1.784 . . . . 10.0 110.145 174.702 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 97.5 mtt180 -59.13 -46.28 88.75 Favored 'General case' 0 N--CA 1.474 0.772 0 C-N-CA 124.588 1.155 . . . . 10.0 111.913 174.896 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 28' ' ' TYR . . . . . . . . . . . . . 83.5 t80 -59.54 -53.4 58.48 Favored 'General case' 0 CA--C 1.536 0.406 0 C-N-CA 124.269 1.027 . . . . 10.0 111.949 179.232 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 29' ' ' TYR . . . . . . . . . . . . . 83.5 t80 -56.65 -52.39 65.06 Favored 'General case' 0 CA--C 1.536 0.416 0 C-N-CA 124.6 1.16 . . . . 10.0 112.404 175.645 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -51.06 -35.87 36.92 Favored 'General case' 0 CA--C 1.546 0.796 0 N-CA-C 113.603 0.964 . . . . 10.0 113.603 178.751 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -85.73 -28.42 24.63 Favored 'General case' 0 CA--C 1.55 0.981 0 N-CA-C 115.099 1.518 . . . . 10.0 115.099 176.098 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 32' ' ' ASN . . . . . . . . . . . . . 55.3 m-80 -124.25 11.76 8.79 Favored 'General case' 0 CA--C 1.548 0.881 0 N-CA-C 116.654 2.094 . . . . 10.0 116.654 -169.091 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 33' ' ' TYR . . . . . . . . . . . . . 52.1 p90 -50.15 -28.02 6.72 Favored 'General case' 0 N--CA 1.478 0.971 0 C-N-CA 126.007 1.723 . . . . 10.0 115.207 -177.751 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 34' ' ' TRP . . . . . . . . . . . . . 65.6 p-90 -51.32 -34.67 34.55 Favored 'General case' 0 CA--C 1.546 0.805 0 C-N-CA 125.83 1.652 . . . . 10.0 114.187 173.634 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 32.1 mt-30 -67.4 -41.71 84.48 Favored 'General case' 0 N--CA 1.474 0.734 0 C-N-CA 124.716 1.206 . . . . 10.0 113.197 176.45 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 36' ' ' PHE . . . . . . . . . . . . . 68.6 m-85 -74.24 159.06 84.66 Favored Pre-proline 0 CA--C 1.546 0.799 0 C-N-CA 127.542 2.337 . . . . 10.0 113.629 -169.69 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 62.2 Cg_endo -71.89 163.89 37.41 Favored 'Trans proline' 0 CA--C 1.541 0.859 0 C-N-CA 123.062 2.508 . . . . 10.0 110.841 169.246 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 7.3 t70 -113.47 -37.69 4.57 Favored 'General case' 0 N--CA 1.473 0.698 0 C-N-CA 125.094 1.358 . . . . 10.0 110.396 169.911 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . -129.14 173.11 19.56 Favored Glycine 0 CA--C 1.535 1.286 0 C-N-CA 126.228 1.871 . . . . 10.0 111.384 169.445 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 40' ' ' ILE . . . . . . . . . . . . . 97.0 mt -136.56 125.63 37.24 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.692 0 C-N-CA 125.193 1.397 . . . . 10.0 108.463 175.382 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 41' ' ' TYR . . . . . . . . . . . . . 90.3 t80 -73.51 116.91 14.63 Favored 'General case' 0 CA--C 1.536 0.41 0 C-N-CA 123.388 0.675 . . . . 10.0 109.486 169.782 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 42' ' ' TYR . . . . . . . . . . . . . 48.8 t80 -154.54 109.21 3.03 Favored 'General case' 0 CA--C 1.533 0.305 0 CA-C-O 122.169 0.985 . . . . 10.0 110.732 173.27 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 4.8 pt-20 -81.12 59.98 4.09 Favored 'General case' 0 CA--C 1.548 0.884 0 C-N-CA 126.981 2.112 . . . . 10.0 111.874 178.271 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . -71.35 -42.98 55.71 Favored Glycine 0 CA--C 1.534 1.269 0 C-N-CA 125.298 1.428 . . . . 10.0 113.931 -179.787 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 45' ' ' CYS . . . . . . . . . . . . . 78.0 m -62.47 128.21 34.94 Favored 'General case' 0 CA--C 1.544 0.728 0 C-N-CA 125.442 1.497 . . . . 10.0 112.94 -179.287 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 63.9 p -139.31 -58.4 0.59 Allowed 'General case' 0 N--CA 1.473 0.695 0 C-N-CA 125.88 1.672 . . . . 10.0 112.01 173.689 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 12.0 pt-20 -146.56 160.72 41.78 Favored 'General case' 0 CA--C 1.542 0.666 0 C-N-CA 126.33 1.852 . . . . 10.0 112.604 178.976 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -54.58 -23.5 17.13 Favored 'General case' 0 CA--C 1.545 0.786 0 N-CA-C 115.932 1.827 . . . . 10.0 115.932 -174.694 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 72.5 m-20 -61.42 -29.04 69.69 Favored 'General case' 0 CA--C 1.548 0.869 0 C-N-CA 124.164 0.985 . . . . 10.0 113.42 172.204 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . 94.3 t -67.03 113.1 2.77 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.911 0 C-N-CA 124.667 1.187 . . . . 10.0 109.61 169.976 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 41.4 p -84.92 169.66 13.85 Favored 'General case' 0 N--CA 1.475 0.793 0 C-N-CA 123.504 0.721 . . . . 10.0 111.618 176.801 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 78.1 tttt -62.04 -43.52 98.66 Favored 'General case' 0 N--CA 1.472 0.642 0 O-C-N 121.221 -0.924 . . . . 10.0 111.981 170.046 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 27.6 mm-40 -54.25 -48.43 71.16 Favored 'General case' 0 N--CA 1.472 0.669 0 C-N-CA 123.903 0.881 . . . . 10.0 111.838 174.426 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 54' ' ' MET . . . . . . . . . . . . . 93.4 mtp -54.69 -57.14 12.65 Favored 'General case' 0 N--CA 1.47 0.534 0 C-N-CA 124.361 1.065 . . . . 10.0 111.799 171.251 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 3.4 tt -55.73 -59.82 4.32 Favored 'General case' 0 CA--C 1.54 0.56 0 C-N-CA 124.995 1.318 . . . . 10.0 112.129 -177.549 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 60.2 t -57.43 -46.5 85.69 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.811 0 C-N-CA 124.69 1.196 . . . . 10.0 111.666 -176.263 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 57' ' ' THR . . . . . . . . . . . . . 37.1 m -63.5 -51.57 64.96 Favored 'General case' 0 N--CA 1.477 0.881 0 C-N-CA 123.816 0.847 . . . . 10.0 111.901 177.109 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 93.2 p -62.01 -33.25 74.0 Favored 'General case' 0 N--CA 1.471 0.615 0 O-C-N 121.388 -0.82 . . . . 10.0 113.028 177.659 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 59' ' ' CYS . . . . . . . . . . . . . 44.4 t -58.22 -51.05 71.37 Favored 'General case' 0 CA--C 1.539 0.522 0 C-N-CA 125.982 1.713 . . . . 10.0 112.557 169.971 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 60' ' ' VAL . . . . . . . . . . . . . 48.2 t -56.3 -43.69 77.61 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.055 0 C-N-CA 124.086 0.954 . . . . 10.0 111.893 173.446 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 61' ' ' ASN . . . . . . . . . . . . . 21.8 m-80 -64.24 -45.26 88.93 Favored 'General case' 0 CA--C 1.544 0.728 0 C-N-CA 124.245 1.018 . . . . 10.0 113.046 174.827 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -60.58 -45.99 91.91 Favored 'General case' 0 CA--C 1.536 0.408 0 C-N-CA 124.53 1.132 . . . . 10.0 111.267 175.8 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 63' ' ' THR . . . . . . . . . . . . . 30.1 m -55.29 -48.74 73.64 Favored 'General case' 0 N--CA 1.471 0.59 0 C-N-CA 124.909 1.283 . . . . 10.0 111.469 177.334 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 64' ' ' GLN . . . . . . . . . . . . . 45.6 mt-30 -50.65 -61.7 2.04 Favored 'General case' 0 N--CA 1.47 0.559 0 C-N-CA 124.283 1.033 . . . . 10.0 111.7 171.453 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -53.87 -44.65 70.6 Favored 'General case' 0 CA--C 1.545 0.781 0 C-N-CA 125.704 1.602 . . . . 10.0 113.741 -178.667 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -67.63 -34.5 77.08 Favored 'General case' 0 CA--C 1.541 0.608 0 C-N-CA 125.082 1.353 . . . . 10.0 114.383 179.615 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 67' ' ' ASN . . . . . . . . . . . . . 10.5 m-80 -124.91 39.61 3.94 Favored 'General case' 0 CA--C 1.545 0.784 0 C-N-CA 124.026 0.93 . . . . 10.0 112.562 -170.042 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 68' ' ' GLN . . . . . . . . . . . . . 22.0 mm-40 -54.66 -47.46 73.55 Favored 'General case' 0 N--CA 1.475 0.791 0 C-N-CA 124.627 1.171 . . . . 10.0 112.972 -176.416 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -53.83 -48.71 69.66 Favored 'General case' 0 CA--C 1.544 0.732 0 C-N-CA 125.025 1.33 . . . . 10.0 113.015 179.104 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 7.9 mm-40 -54.01 -56.14 20.7 Favored 'General case' 0 N--CA 1.473 0.706 0 C-N-CA 125.215 1.406 . . . . 10.0 111.408 177.766 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 71' ' ' PHE . . . . . . . . . . . . . 37.4 m-85 -59.91 -53.31 59.43 Favored 'General case' 0 CA--C 1.536 0.405 0 C-N-CA 124.019 0.928 . . . . 10.0 112.19 176.954 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 46.5 t -50.05 -56.74 9.6 Favored 'General case' 0 N--CA 1.47 0.551 0 C-N-CA 126.366 1.866 . . . . 10.0 112.837 -178.415 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 73' ' ' ARG . . . . . . . . . . . . . 90.2 mmt-85 -60.3 -50.01 75.32 Favored 'General case' 0 N--CA 1.475 0.801 0 C-N-CA 124.905 1.282 . . . . 10.0 112.621 -179.767 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 44.1 mm-40 -62.61 -58.57 7.06 Favored 'General case' 0 CA--C 1.539 0.549 0 C-N-CA 124.269 1.028 . . . . 10.0 112.856 -179.491 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 87.4 tttt -44.78 -34.18 2.19 Favored 'General case' 0 N--CA 1.481 1.116 0 C-N-CA 127.896 2.478 . . . . 10.0 115.674 -171.387 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 76' ' ' GLN . . . . . . . . . . . . . 66.6 mm-40 -52.87 -43.4 66.07 Favored 'General case' 0 N--CA 1.472 0.66 0 C-N-CA 124.751 1.22 . . . . 10.0 112.967 178.043 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 32.5 t70 -127.6 -38.37 1.91 Allowed 'General case' 0 N--CA 1.473 0.722 0 C-N-CA 125.902 1.681 . . . . 10.0 113.168 -172.164 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -75.73 61.09 1.35 Allowed 'General case' 0 CA--C 1.543 0.676 0 C-N-CA 127.929 2.492 . . . . 10.0 111.809 -178.314 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 2.1 tppt? -60.42 -52.56 64.69 Favored 'General case' 0 N--CA 1.472 0.674 0 C-N-CA 126.259 1.824 . . . . 10.0 113.384 -169.682 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 56.0 tp -60.51 -44.96 95.45 Favored 'General case' 0 N--CA 1.47 0.537 0 C-N-CA 124.866 1.266 . . . . 10.0 111.941 175.082 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 81' ' ' HIS . . . . . . . . . . . . . 16.6 t-160 -48.52 -49.22 36.99 Favored 'General case' 0 N--CA 1.472 0.637 0 C-N-CA 124.409 1.083 . . . . 10.0 111.993 -177.235 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 82' ' ' GLN . . . . . . . . . . . . . 98.3 mm-40 -50.62 -52.71 36.96 Favored 'General case' 0 N--CA 1.471 0.599 0 C-N-CA 123.856 0.862 . . . . 10.0 112.852 177.106 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 83' ' ' ARG . . . . . . . . . . . . . 9.2 mpt_? -55.48 -52.76 62.56 Favored 'General case' 0 N--CA 1.48 1.043 0 C-N-CA 124.383 1.073 . . . . 10.0 111.314 -178.96 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 84' ' ' VAL . . . . . . . . . . . . . 21.8 t -57.94 -54.28 34.11 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.729 0 C-N-CA 125.828 1.651 . . . . 10.0 110.94 176.99 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 85' ' ' LEU . . . . . . . . . . . . . 45.0 tp -56.68 -47.82 78.98 Favored 'General case' 0 CA--C 1.538 0.491 0 C-N-CA 126.254 1.822 . . . . 10.0 112.664 -179.736 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 86' ' ' TRP . . . . . . . . . . . . . 70.4 m95 -64.05 -42.48 97.02 Favored 'General case' 0 N--CA 1.469 0.475 0 N-CA-C 113.989 1.107 . . . . 10.0 113.989 176.316 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 87' ' ' ARG . . . . . . . . . . . . . 24.0 tpt180 -54.9 -50.37 68.93 Favored 'General case' 0 N--CA 1.477 0.921 0 C-N-CA 123.666 0.786 . . . . 10.0 111.144 170.705 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 88' ' ' LEU . . . . . . . . . . . . . 54.9 tp -56.23 -55.26 35.44 Favored 'General case' 0 CA--C 1.54 0.59 0 C-N-CA 124.318 1.047 . . . . 10.0 112.761 173.172 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 89' ' ' ILE . . . . . . . . . . . . . 68.9 mt -50.98 -48.91 28.82 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.808 0 C-N-CA 124.518 1.127 . . . . 10.0 111.015 177.422 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 58.3 tttp -60.2 -46.87 88.24 Favored 'General case' 0 N--CA 1.469 0.51 0 CA-C-O 118.191 -0.909 . . . . 10.0 112.782 176.295 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 31.6 mm-40 -56.59 -45.08 81.6 Favored 'General case' 0 CA--C 1.544 0.716 0 CA-C-N 119.795 1.179 . . . . 10.0 112.635 172.773 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 92' ' ' ILE . . . . . . . . . . . . . 96.1 mt -58.01 -55.56 21.17 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.776 0 C-N-CA 124.209 1.003 . . . . 10.0 110.93 172.736 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 93' ' ' CYS . . . . . . . . . . . . . 66.2 m -55.21 -44.78 75.7 Favored 'General case' 0 CA--C 1.544 0.712 0 C-N-CA 123.793 0.837 . . . . 10.0 111.957 177.914 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 49.7 m -58.73 -24.99 62.5 Favored 'General case' 0 N--CA 1.476 0.874 0 C-N-CA 125.541 1.536 . . . . 10.0 114.7 175.391 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . -73.06 -21.79 60.72 Favored 'General case' 0 CA--C 1.548 0.873 0 N-CA-C 114.206 1.187 . . . . 10.0 114.206 178.083 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 96' ' ' LYS . . . . . . . . . . . . . 3.6 mptp? -60.24 131.89 52.22 Favored 'General case' 0 N--CA 1.479 0.99 0 C-N-CA 125.087 1.355 . . . . 10.0 111.377 -179.198 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 97' ' ' HIS . . . . . 0.438 ' HA ' ' CZ3' ' A' ' 101' ' ' TRP . 13.2 t-80 -141.7 116.35 9.7 Favored 'General case' 0 N--CA 1.471 0.62 0 C-N-CA 125.67 1.588 . . . . 10.0 110.773 176.019 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 98' ' ' CYS . . . . . . . . . . . . . 57.4 m -70.16 149.69 47.29 Favored 'General case' 0 CA--C 1.538 0.498 0 C-N-CA 123.283 0.633 . . . . 10.0 111.86 176.761 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 99' ' ' ASP . . . . . . . . . . . . . 32.7 t70 -64.8 -42.8 94.73 Favored 'General case' 0 CA--C 1.542 0.656 0 C-N-CA 124.349 1.059 . . . . 10.0 112.427 176.988 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 100' ' ' PHE . . . . . . . . . . . . . 9.0 p90 -70.81 -16.83 62.76 Favored 'General case' 0 CA--C 1.544 0.712 0 N-CA-C 115.402 1.631 . . . . 10.0 115.402 -176.349 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 101' ' ' TRP . . . . . 0.438 ' CZ3' ' HA ' ' A' ' 97' ' ' HIS . 36.7 m0 -59.13 137.7 57.85 Favored 'General case' 0 N--CA 1.474 0.741 0 CA-C-N 119.918 1.235 . . . . 10.0 112.554 179.301 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 102' ' ' LEU . . . . . . . . . . . . . 2.7 pt? -146.17 170.7 16.18 Favored 'General case' 0 CA--C 1.542 0.636 0 C-N-CA 126.707 2.003 . . . . 10.0 112.195 -171.609 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 46.3 mt-10 -134.13 148.62 51.0 Favored 'General case' 0 N--CA 1.472 0.651 0 C-N-CA 125.81 1.644 . . . . 10.0 111.029 175.365 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 104' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -145.32 174.75 10.83 Favored 'General case' 0 N--CA 1.477 0.912 0 C-N-CA 126.032 1.733 . . . . 10.0 112.637 -177.115 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 105' ' ' GLY . . . . . . . . . . . . . . . -138.27 -159.24 8.04 Favored Glycine 0 CA--C 1.533 1.187 0 C-N-CA 126.013 1.768 . . . . 10.0 112.627 177.947 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 106' ' ' ALA . . . . . . . . . . . . . . . -147.36 158.37 43.95 Favored 'General case' 0 CA--C 1.546 0.811 0 C-N-CA 125.389 1.476 . . . . 10.0 112.005 178.705 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 107' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.253 1.262 0 C-N-CA 126.551 1.941 . . . . 10.0 111.982 179.33 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A ' 1' ' ' ARG . . . . . . . . . . . . . 77.6 ttt180 . . . . . 0 N--CA 1.488 1.458 0 N-CA-C 110.009 -0.367 . . . . 10.0 110.009 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A ' 2' ' ' VAL . . . . . . . . . . . . . 58.0 t -70.1 121.41 19.67 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.046 0 C-N-CA 124.822 1.249 . . . . 10.0 110.654 -178.694 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -72.83 159.19 34.16 Favored 'General case' 0 CA--C 1.545 0.785 0 C-N-CA 124.748 1.219 . . . . 10.0 112.789 175.783 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 38.9 mm-40 -67.81 124.8 24.31 Favored 'General case' 0 CA--C 1.54 0.566 0 O-C-N 121.439 -0.788 . . . . 10.0 110.44 170.815 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 5' ' ' ASN . . . . . . . . . . . . . 32.3 m120 -77.45 62.04 2.36 Favored 'General case' 0 CA--C 1.546 0.823 0 C-N-CA 124.247 1.019 . . . . 10.0 111.523 178.312 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 7.9 ptm180 -83.17 156.82 66.42 Favored Pre-proline 0 N--CA 1.475 0.804 0 C-N-CA 125.122 1.369 . . . . 10.0 111.928 170.824 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 7' ' ' PRO . . . . . . . . . . . . . 71.2 Cg_exo -48.58 120.88 5.66 Favored 'Trans proline' 0 CA--C 1.54 0.816 0 C-N-CA 123.548 2.832 . . . . 10.0 112.406 171.32 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . 110.74 -15.08 29.29 Favored Glycine 0 CA--C 1.538 1.486 0 C-N-CA 126.579 2.038 . . . . 10.0 114.335 -172.798 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -61.86 131.89 51.27 Favored 'General case' 0 CA--C 1.545 0.751 0 CA-C-N 119.565 1.683 . . . . 10.0 112.38 -175.482 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 10' ' ' PHE . . . . . . . . . . . . . 23.7 m-85 -62.45 149.99 41.17 Favored 'General case' 0 CA--C 1.54 0.582 0 O-C-N 121.636 -0.665 . . . . 10.0 112.597 174.28 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 75.7 mt -118.75 96.86 4.71 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.465 0 N-CA-C 106.28 -1.748 . . . . 10.0 106.28 169.423 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 85.4 mttt -93.39 91.69 7.29 Favored 'General case' 0 N--CA 1.472 0.635 0 C-N-CA 125.024 1.329 . . . . 10.0 110.208 -176.357 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 22.0 mt-30 -77.4 -21.22 53.48 Favored 'General case' 0 CA--C 1.54 0.572 0 C-N-CA 124.253 1.021 . . . . 10.0 111.883 172.099 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . 65.4 54.55 25.9 Favored Glycine 0 CA--C 1.531 1.058 0 C-N-CA 124.719 1.152 . . . . 10.0 111.083 -176.595 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 4.7 tmm_? -133.01 129.73 38.51 Favored 'General case' 0 N--CA 1.47 0.539 0 C-N-CA 126.86 2.064 . . . . 10.0 110.18 -169.525 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 46.2 tttm -74.76 111.17 9.69 Favored 'General case' 0 N--CA 1.472 0.661 0 C-N-CA 124.081 0.953 . . . . 10.0 111.486 -178.461 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 85.4 mt -74.06 177.54 5.63 Favored 'General case' 0 CA--C 1.547 0.857 0 C-N-CA 126.272 1.829 . . . . 10.0 112.245 170.844 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 20.3 t0 -124.61 92.39 3.64 Favored 'General case' 0 CA--C 1.542 0.639 0 C-N-CA 125.638 1.575 . . . . 10.0 110.371 173.648 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . 73.1 mt -132.83 128.87 57.58 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.709 0 C-N-CA 127.5 2.32 . . . . 10.0 107.785 -179.034 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 24.0 t0 -86.83 85.27 7.26 Favored 'General case' 0 CA--C 1.539 0.552 0 CA-C-O 121.947 0.879 . . . . 10.0 110.652 172.593 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 21' ' ' PHE . . . . . . . . . . . . . 77.6 m-85 -62.53 -41.54 98.94 Favored 'General case' 0 CA--C 1.54 0.586 0 C-N-CA 126.59 1.956 . . . . 10.0 111.684 171.028 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 131.49 155.22 8.04 Favored Glycine 0 CA--C 1.532 1.116 0 C-N-CA 128.15 2.786 . . . . 10.0 109.666 -169.726 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -41.46 -57.71 2.12 Favored 'General case' 0 CA--C 1.548 0.869 0 N-CA-C 115.333 1.605 . . . . 10.0 115.333 -169.665 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 37.0 tt0 -63.52 -43.98 95.59 Favored 'General case' 0 CA--C 1.544 0.714 0 C-N-CA 124.405 1.082 . . . . 10.0 112.682 179.057 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -65.66 -41.64 95.84 Favored Glycine 0 CA--C 1.534 1.265 0 C-N-CA 124.916 1.246 . . . . 10.0 113.991 177.8 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 82.0 m-20 -55.99 -49.25 74.14 Favored 'General case' 0 CA--C 1.537 0.457 0 C-N-CA 126.245 1.818 . . . . 10.0 110.445 173.658 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 98.6 mtt180 -60.66 -46.66 89.47 Favored 'General case' 0 N--CA 1.475 0.792 0 C-N-CA 125.102 1.361 . . . . 10.0 111.347 176.431 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 28' ' ' TYR . . . . . . . . . . . . . 75.9 t80 -58.43 -53.09 62.28 Favored 'General case' 0 CA--C 1.534 0.362 0 C-N-CA 123.969 0.908 . . . . 10.0 111.985 177.403 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 29' ' ' TYR . . . . . . . . . . . . . 74.9 t80 -56.02 -54.11 48.9 Favored 'General case' 0 CA--C 1.535 0.402 0 C-N-CA 124.534 1.133 . . . . 10.0 112.394 176.45 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -50.27 -37.17 34.61 Favored 'General case' 0 CA--C 1.547 0.827 0 N-CA-C 113.81 1.041 . . . . 10.0 113.81 177.122 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -82.95 -21.24 34.11 Favored 'General case' 0 CA--C 1.552 1.034 0 N-CA-C 115.262 1.579 . . . . 10.0 115.262 176.491 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 32' ' ' ASN . . . . . . . . . . . . . 61.0 m-80 -131.32 7.61 4.59 Favored 'General case' 0 CA--C 1.547 0.865 0 N-CA-C 116.888 2.181 . . . . 10.0 116.888 -169.145 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 33' ' ' TYR . . . . . . . . . . . . . 39.9 p90 -51.86 -25.99 9.09 Favored 'General case' 0 N--CA 1.479 0.984 0 N-CA-C 115.533 1.679 . . . . 10.0 115.533 -174.668 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 34' ' ' TRP . . . . . . . . . . . . . 65.8 p-90 -52.42 -34.57 49.03 Favored 'General case' 0 CA--C 1.546 0.825 0 C-N-CA 125.669 1.587 . . . . 10.0 114.116 172.094 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 31.1 mt-30 -69.89 -37.82 76.13 Favored 'General case' 0 N--CA 1.475 0.781 0 C-N-CA 124.57 1.148 . . . . 10.0 113.343 176.51 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 36' ' ' PHE . . . . . . . . . . . . . 65.2 m-85 -75.81 157.66 83.58 Favored Pre-proline 0 CA--C 1.546 0.802 0 C-N-CA 126.98 2.112 . . . . 10.0 114.202 -169.579 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 61.6 Cg_endo -73.7 150.01 44.23 Favored 'Trans proline' 0 CA--C 1.54 0.786 0 C-N-CA 123.272 2.648 . . . . 10.0 110.701 169.355 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 26.9 t70 -104.54 -33.9 8.39 Favored 'General case' 0 N--CA 1.472 0.661 0 C-N-CA 124.854 1.262 . . . . 10.0 111.248 172.11 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . -132.51 172.85 21.07 Favored Glycine 0 CA--C 1.536 1.35 0 C-N-CA 126.835 2.159 . . . . 10.0 111.218 169.387 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 40' ' ' ILE . . . . . . . . . . . . . 89.1 mt -136.52 124.04 33.2 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.779 0 C-N-CA 124.701 1.2 . . . . 10.0 108.764 174.496 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 41' ' ' TYR . . . . . . . . . . . . . 60.7 t80 -72.18 98.89 2.23 Favored 'General case' 0 CA--C 1.536 0.428 0 C-N-CA 124.35 1.06 . . . . 10.0 110.112 171.718 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 42' ' ' TYR . . . . . . . . . . . . . 61.2 t80 -157.69 139.7 14.21 Favored 'General case' 0 CA--C 1.535 0.372 0 C-N-CA 123.975 0.91 . . . . 10.0 111.88 177.885 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 46.4 mt-10 -128.42 89.15 2.85 Favored 'General case' 0 CA--C 1.539 0.542 0 C-N-CA 126.947 2.099 . . . . 10.0 108.365 179.784 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . -92.74 38.39 3.18 Favored Glycine 0 N--CA 1.47 0.939 0 N-CA-C 117.202 1.641 . . . . 10.0 117.202 -168.998 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 45' ' ' CYS . . . . . . . . . . . . . 28.0 p -145.75 133.68 21.34 Favored 'General case' 0 CA--C 1.54 0.56 0 CA-C-N 118.161 0.98 . . . . 10.0 112.479 170.524 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 73.8 p -139.15 -4.66 1.49 Allowed 'General case' 0 N--CA 1.475 0.794 0 C-N-CA 126.171 1.788 . . . . 10.0 114.0 179.196 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 77.7 mm-40 -141.57 138.29 32.55 Favored 'General case' 0 N--CA 1.471 0.604 0 C-N-CA 126.526 1.931 . . . . 10.0 110.769 -175.426 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -54.71 -31.48 58.21 Favored 'General case' 0 CA--C 1.548 0.885 0 C-N-CA 124.672 1.189 . . . . 10.0 113.674 176.131 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 73.4 m-80 -68.31 -22.87 64.69 Favored 'General case' 0 CA--C 1.544 0.727 0 C-N-CA 126.014 1.726 . . . . 10.0 114.278 178.6 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . 2.5 p -59.86 149.19 7.02 Favored 'Isoleucine or valine' 0 N--CA 1.479 1.019 0 C-N-CA 124.274 1.03 . . . . 10.0 112.741 -174.364 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 36.5 p -117.62 169.76 9.31 Favored 'General case' 0 N--CA 1.479 0.982 0 C-N-CA 125.475 1.51 . . . . 10.0 112.057 -177.953 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 88.1 tttt -58.77 -49.63 76.93 Favored 'General case' 0 N--CA 1.472 0.659 0 C-N-CA 123.778 0.831 . . . . 10.0 111.522 169.89 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 45.1 mt-10 -51.46 -48.6 62.75 Favored 'General case' 0 N--CA 1.472 0.671 0 C-N-CA 124.058 0.943 . . . . 10.0 111.862 176.254 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 54' ' ' MET . . . . . . . . . . . . . 98.1 mtp -57.16 -56.27 23.95 Favored 'General case' 0 CA--C 1.536 0.416 0 C-N-CA 124.045 0.938 . . . . 10.0 112.223 171.263 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 10.0 tt -53.76 -53.4 52.76 Favored 'General case' 0 N--CA 1.471 0.62 0 C-N-CA 124.873 1.269 . . . . 10.0 112.764 -178.021 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 48.0 t -61.38 -48.12 90.31 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.883 0 C-N-CA 124.956 1.302 . . . . 10.0 111.443 -179.005 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 57' ' ' THR . . . . . . . . . . . . . 59.8 m -60.02 -48.05 83.32 Favored 'General case' 0 N--CA 1.478 0.968 0 C-N-CA 124.012 0.925 . . . . 10.0 111.755 175.67 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 41.3 m -60.88 -38.32 85.26 Favored 'General case' 0 N--CA 1.47 0.546 0 C-N-CA 124.617 1.167 . . . . 10.0 112.211 177.447 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 59' ' ' CYS . . . . . . . . . . . . . 44.8 t -58.38 -49.9 75.6 Favored 'General case' 0 CA--C 1.535 0.368 0 C-N-CA 124.907 1.283 . . . . 10.0 112.932 172.49 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 60' ' ' VAL . . . . . . . . . . . . . 55.3 t -54.55 -50.62 57.36 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.94 0 CA-C-N 118.886 0.766 . . . . 10.0 111.095 172.086 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 61' ' ' ASN . . . . . . . . . . . . . 16.6 m-80 -58.14 -45.1 87.96 Favored 'General case' 0 CA--C 1.545 0.765 0 C-N-CA 124.516 1.126 . . . . 10.0 113.377 176.786 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -62.49 -47.39 84.2 Favored 'General case' 0 CA--C 1.535 0.372 0 C-N-CA 124.249 1.02 . . . . 10.0 111.406 175.866 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 63' ' ' THR . . . . . . . . . . . . . 28.6 m -55.54 -49.9 71.41 Favored 'General case' 0 N--CA 1.472 0.634 0 C-N-CA 124.99 1.316 . . . . 10.0 111.261 175.752 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 64' ' ' GLN . . . . . . . . . . . . . 83.7 mt-30 -49.25 -60.16 3.05 Favored 'General case' 0 CA--C 1.536 0.42 0 C-N-CA 125.248 1.419 . . . . 10.0 111.779 171.737 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -57.78 -41.75 82.68 Favored 'General case' 0 CA--C 1.545 0.762 0 C-N-CA 125.581 1.552 . . . . 10.0 113.798 -178.919 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -66.25 -39.83 89.78 Favored 'General case' 0 CA--C 1.542 0.658 0 C-N-CA 125.026 1.331 . . . . 10.0 114.063 178.679 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 67' ' ' ASN . . . . . . . . . . . . . 11.5 m-80 -119.1 38.9 3.69 Favored 'General case' 0 CA--C 1.548 0.881 0 C-N-CA 124.249 1.019 . . . . 10.0 112.833 -169.804 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 68' ' ' GLN . . . . . . . . . . . . . 32.0 mm-40 -48.62 -55.16 12.0 Favored 'General case' 0 N--CA 1.476 0.835 0 C-N-CA 126.61 1.964 . . . . 10.0 113.702 -176.382 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -57.39 -44.43 84.49 Favored 'General case' 0 CA--C 1.542 0.661 0 C-N-CA 124.779 1.232 . . . . 10.0 113.353 -175.761 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 48.0 mt-10 -59.78 -50.73 72.68 Favored 'General case' 0 N--CA 1.472 0.633 0 C-N-CA 124.579 1.151 . . . . 10.0 111.967 177.474 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 71' ' ' PHE . . . . . . . . . . . . . 40.5 m-85 -61.27 -60.0 4.43 Favored 'General case' 0 CA--C 1.535 0.403 0 C-N-CA 123.134 0.574 . . . . 10.0 112.039 174.829 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 27.3 t -49.2 -51.86 30.32 Favored 'General case' 0 N--CA 1.471 0.594 0 C-N-CA 126.263 1.825 . . . . 10.0 113.608 -171.044 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 73' ' ' ARG . . . . . . . . . . . . . 88.6 mtm180 -58.41 -56.03 27.39 Favored 'General case' 0 N--CA 1.475 0.819 0 C-N-CA 125.275 1.43 . . . . 10.0 112.639 178.943 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 18.0 mt-10 -67.09 -46.43 74.25 Favored 'General case' 0 N--CA 1.47 0.556 0 N-CA-C 113.969 1.099 . . . . 10.0 113.969 -178.303 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 88.0 tttt -48.19 -29.25 3.55 Favored 'General case' 0 N--CA 1.48 1.04 0 C-N-CA 127.325 2.25 . . . . 10.0 115.116 -173.773 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 76' ' ' GLN . . . . . . . . . . . . . 72.9 mm-40 -54.46 -32.83 58.5 Favored 'General case' 0 CA--C 1.545 0.785 0 C-N-CA 125.218 1.407 . . . . 10.0 113.831 174.535 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 32.1 t70 -138.1 -37.21 0.58 Allowed 'General case' 0 CA--C 1.546 0.8 0 C-N-CA 125.463 1.505 . . . . 10.0 114.352 -171.563 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -76.9 54.41 1.01 Allowed 'General case' 0 CA--C 1.547 0.865 0 C-N-CA 127.31 2.244 . . . . 10.0 113.71 -169.892 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 24.6 ttmm -54.33 -51.64 64.07 Favored 'General case' 0 N--CA 1.478 0.948 0 C-N-CA 126.61 1.964 . . . . 10.0 113.321 -174.067 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 43.0 tp -56.63 -48.56 77.25 Favored 'General case' 0 CA--C 1.538 0.502 0 C-N-CA 124.518 1.127 . . . . 10.0 111.641 175.904 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 81' ' ' HIS . . . . . . . . . . . . . 14.1 t-160 -56.35 -53.81 52.91 Favored 'General case' 0 N--CA 1.469 0.524 0 CA-C-O 118.44 -0.79 . . . . 10.0 111.411 175.053 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 82' ' ' GLN . . . . . . . . . . . . . 93.1 mm-40 -48.87 -56.42 8.81 Favored 'General case' 0 N--CA 1.47 0.572 0 C-N-CA 124.573 1.149 . . . . 10.0 112.078 177.241 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 83' ' ' ARG . . . . . . . . . . . . . 80.2 ttt180 -49.56 -57.52 6.95 Favored 'General case' 0 N--CA 1.478 0.949 0 C-N-CA 124.731 1.212 . . . . 10.0 112.512 178.911 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 84' ' ' VAL . . . . . . . . . . . . . 58.5 t -60.46 -50.58 79.8 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.823 0 C-N-CA 125.608 1.563 . . . . 10.0 111.078 179.614 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 85' ' ' LEU . . . . . . . . . . . . . 52.0 tp -56.6 -50.23 72.6 Favored 'General case' 0 N--CA 1.469 0.505 0 C-N-CA 125.884 1.674 . . . . 10.0 112.71 178.895 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 86' ' ' TRP . . . . . . . . . . . . . 64.3 m95 -60.81 -41.98 96.73 Favored 'General case' 0 N--CA 1.468 0.425 0 N-CA-C 113.488 0.922 . . . . 10.0 113.488 176.311 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 87' ' ' ARG . . . . . . . . . . . . . 14.1 tpt180 -56.43 -50.37 71.87 Favored 'General case' 0 N--CA 1.474 0.743 0 CA-C-N 118.698 0.681 . . . . 10.0 111.417 170.039 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 88' ' ' LEU . . . . . . . . . . . . . 2.2 tt -55.3 -53.99 49.18 Favored 'General case' 0 CA--C 1.545 0.761 0 C-N-CA 124.66 1.184 . . . . 10.0 111.764 176.735 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 89' ' ' ILE . . . . . . . . . . . . . 83.9 mt -50.62 -51.35 19.72 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.709 0 C-N-CA 124.896 1.279 . . . . 10.0 110.857 173.849 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 65.9 tttp -58.24 -45.53 87.57 Favored 'General case' 0 N--CA 1.471 0.606 0 CA-C-O 117.95 -1.024 . . . . 10.0 113.296 176.803 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 64.9 mm-40 -53.51 -51.05 64.08 Favored 'General case' 0 N--CA 1.473 0.714 0 CA-C-N 120.027 1.285 . . . . 10.0 111.752 172.417 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 92' ' ' ILE . . . . . . . . . . . . . 97.7 mt -57.43 -53.86 38.49 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.968 0 C-N-CA 124.093 0.957 . . . . 10.0 111.407 174.817 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 93' ' ' CYS . . . . . . . . . . . . . 67.9 m -56.73 -43.45 80.65 Favored 'General case' 0 CA--C 1.542 0.638 0 C-N-CA 124.577 1.151 . . . . 10.0 112.614 179.653 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 50.4 m -61.74 -43.0 99.7 Favored 'General case' 0 N--CA 1.474 0.765 0 C-N-CA 125.448 1.499 . . . . 10.0 112.891 173.241 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . -62.98 -50.77 69.45 Favored 'General case' 0 CA--C 1.542 0.672 0 C-N-CA 125.249 1.42 . . . . 10.0 113.32 -178.768 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 96' ' ' LYS . . . . . . . . . . . . . 1.1 ptpm? -60.78 142.3 56.14 Favored 'General case' 0 N--CA 1.481 1.078 0 CA-C-N 118.891 0.768 . . . . 10.0 111.901 176.001 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 97' ' ' HIS . . . . . . . . . . . . . 2.0 m-70 -137.13 152.3 49.82 Favored 'General case' 0 N--CA 1.476 0.833 0 C-N-CA 127.176 2.191 . . . . 10.0 110.377 -175.59 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 98' ' ' CYS . . . . . . . . . . . . . 23.5 t -69.38 144.72 53.33 Favored 'General case' 0 CA--C 1.543 0.683 0 N-CA-C 112.383 0.512 . . . . 10.0 112.383 176.503 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 99' ' ' ASP . . . . . . . . . . . . . 31.7 t70 -65.22 -45.73 83.52 Favored 'General case' 0 CA--C 1.545 0.757 0 C-N-CA 124.944 1.298 . . . . 10.0 113.221 174.413 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 100' ' ' PHE . . . . . . . . . . . . . 9.8 p90 -95.52 7.93 44.79 Favored 'General case' 0 CA--C 1.545 0.775 0 N-CA-C 115.752 1.76 . . . . 10.0 115.752 -169.836 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 101' ' ' TRP . . . . . . . . . . . . . 7.8 m0 -55.58 143.42 29.97 Favored 'General case' 0 N--CA 1.476 0.852 0 CA-C-N 119.795 1.18 . . . . 10.0 113.129 176.81 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 102' ' ' LEU . . . . . . . . . . . . . 2.6 pt? -147.04 172.26 14.01 Favored 'General case' 0 CA--C 1.542 0.671 0 C-N-CA 127.116 2.166 . . . . 10.0 112.046 -170.025 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 55.4 mm-40 -61.0 130.36 46.02 Favored 'General case' 0 CA--C 1.542 0.664 0 C-N-CA 124.104 0.962 . . . . 10.0 111.7 175.482 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 104' ' ' ARG . . . . . . . . . . . . . 23.8 mmm180 -59.32 -38.6 80.69 Favored 'General case' 0 N--CA 1.478 0.97 0 C-N-CA 125.535 1.534 . . . . 10.0 114.093 -170.644 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 105' ' ' GLY . . . . . . . . . . . . . . . -148.13 70.31 0.33 Allowed Glycine 0 CA--C 1.53 1.0 0 C-N-CA 125.313 1.435 . . . . 10.0 112.242 178.635 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 106' ' ' ALA . . . . . . . . . . . . . . . -63.79 140.09 58.84 Favored 'General case' 0 CA--C 1.548 0.867 0 C-N-CA 124.629 1.172 . . . . 10.0 112.35 176.056 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 107' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.253 1.264 0 C-N-CA 126.4 1.88 . . . . 10.0 111.986 179.274 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' 1' ' ' ARG . . . . . . . . . . . . . 58.0 ttt-85 . . . . . 0 N--CA 1.488 1.444 0 CA-C-O 120.701 0.286 . . . . 10.0 110.394 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' 2' ' ' VAL . . . . . . . . . . . . . 91.7 t -62.29 136.89 25.0 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.972 0 C-N-CA 124.205 1.002 . . . . 10.0 109.413 169.508 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -68.74 134.47 49.84 Favored 'General case' 0 CA--C 1.544 0.737 0 C-N-CA 123.675 0.79 . . . . 10.0 111.783 176.01 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 81.0 mm-40 -68.04 130.91 44.37 Favored 'General case' 0 N--CA 1.47 0.552 0 O-C-N 121.426 -0.796 . . . . 10.0 109.047 169.647 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 5' ' ' ASN . . . . . . . . . . . . . 30.7 m120 -70.51 80.76 0.57 Allowed 'General case' 0 CA--C 1.549 0.922 0 CA-C-O 122.08 0.943 . . . . 10.0 112.02 -179.073 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 6.5 ptm180 -136.29 160.13 68.12 Favored Pre-proline 0 N--CA 1.472 0.675 0 C-N-CA 129.198 2.999 . . . . 10.0 110.495 173.198 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 7' ' ' PRO . . . . . . . . . . . . . 84.5 Cg_exo -46.85 121.35 4.91 Favored 'Trans proline' 0 CA--C 1.537 0.636 0 C-N-CA 123.229 2.62 . . . . 10.0 112.293 174.279 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . 112.92 -20.43 19.78 Favored Glycine 0 CA--C 1.538 1.493 0 C-N-CA 126.565 2.031 . . . . 10.0 114.622 -171.2 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -58.57 132.22 53.12 Favored 'General case' 0 CA--C 1.544 0.734 0 CA-C-N 119.416 1.608 . . . . 10.0 114.033 -170.531 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 10' ' ' PHE . . . . . . . . . . . . . 15.1 m-30 -57.39 142.28 44.3 Favored 'General case' 0 CA--C 1.543 0.674 0 C-N-CA 124.969 1.308 . . . . 10.0 112.544 170.9 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 74.2 mt -123.9 120.4 59.54 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.558 0 C-N-CA 125.38 1.472 . . . . 10.0 107.645 169.777 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 8.3 mtpm? -120.24 83.67 2.09 Favored 'General case' 0 N--CA 1.47 0.553 0 C-N-CA 126.238 1.815 . . . . 10.0 109.944 -176.805 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 16.6 mm100 -77.33 -40.13 45.25 Favored 'General case' 0 CA--C 1.541 0.6 0 C-N-CA 126.658 1.983 . . . . 10.0 110.838 171.684 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . 103.63 67.19 0.74 Allowed Glycine 0 CA--C 1.529 0.965 0 C-N-CA 126.418 1.961 . . . . 10.0 111.094 -178.825 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 20.8 ttp180 -135.28 120.59 19.03 Favored 'General case' 0 N--CA 1.471 0.587 0 C-N-CA 126.808 2.043 . . . . 10.0 110.947 -169.84 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 70.1 tttt -82.05 138.79 34.77 Favored 'General case' 0 N--CA 1.474 0.772 0 C-N-CA 126.302 1.841 . . . . 10.0 110.898 178.795 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 56.8 mt -123.17 139.81 53.67 Favored 'General case' 0 N--CA 1.472 0.665 0 C-N-CA 125.627 1.571 . . . . 10.0 112.676 -169.94 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 12.9 p-10 -79.0 91.71 4.88 Favored 'General case' 0 CA--C 1.546 0.817 0 C-N-CA 126.516 1.926 . . . . 10.0 111.894 172.669 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . 86.0 mt -134.49 127.95 50.75 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.818 0 C-N-CA 126.527 1.931 . . . . 10.0 108.713 179.638 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 22.5 t0 -92.84 87.01 5.67 Favored 'General case' 0 CA--C 1.538 0.504 0 C-N-CA 124.036 0.934 . . . . 10.0 110.649 171.888 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 21' ' ' PHE . . . . . . . . . . . . . 91.0 m-85 -64.72 -42.16 95.44 Favored 'General case' 0 CA--C 1.539 0.55 0 C-N-CA 127.041 2.136 . . . . 10.0 112.016 172.537 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 131.87 158.15 8.94 Favored Glycine 0 CA--C 1.532 1.131 0 C-N-CA 127.749 2.595 . . . . 10.0 109.772 -169.338 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -40.51 -59.01 1.44 Allowed 'General case' 0 CA--C 1.546 0.792 0 N-CA-C 115.245 1.572 . . . . 10.0 115.245 -169.563 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 2.0 tp10 -68.57 -41.0 80.31 Favored 'General case' 0 N--CA 1.473 0.698 0 O-C-N 121.504 -0.748 . . . . 10.0 112.972 -178.311 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -65.79 -38.39 94.35 Favored Glycine 0 CA--C 1.533 1.203 0 C-N-CA 124.321 0.962 . . . . 10.0 113.783 176.677 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 90.5 m-20 -58.24 -50.57 73.12 Favored 'General case' 0 CA--C 1.535 0.37 0 C-N-CA 125.909 1.684 . . . . 10.0 110.335 173.037 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 92.8 mtt180 -55.89 -49.63 72.87 Favored 'General case' 0 N--CA 1.478 0.963 0 C-N-CA 124.547 1.139 . . . . 10.0 111.026 174.68 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 28' ' ' TYR . . . . . . . . . . . . . 74.5 t80 -58.42 -56.37 23.03 Favored 'General case' 0 CA--C 1.536 0.412 0 C-N-CA 124.412 1.085 . . . . 10.0 112.249 179.963 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 29' ' ' TYR . . . . . . . . . . . . . 80.5 t80 -56.51 -50.59 71.34 Favored 'General case' 0 CA--C 1.537 0.459 0 C-N-CA 124.07 0.948 . . . . 10.0 112.201 176.454 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -51.81 -35.68 45.08 Favored 'General case' 0 CA--C 1.545 0.773 0 N-CA-C 113.713 1.005 . . . . 10.0 113.713 179.158 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -86.83 -28.75 22.72 Favored 'General case' 0 CA--C 1.551 1.004 0 C-N-CA 125.509 1.524 . . . . 10.0 114.945 175.898 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 32' ' ' ASN . . . . . . . . . . . . . 53.4 m-80 -122.83 10.78 9.61 Favored 'General case' 0 CA--C 1.547 0.83 0 N-CA-C 116.441 2.015 . . . . 10.0 116.441 -169.1 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 33' ' ' TYR . . . . . . . . . . . . . 45.7 p90 -48.23 -34.1 9.69 Favored 'General case' 0 N--CA 1.477 0.908 0 C-N-CA 126.277 1.831 . . . . 10.0 114.824 -177.755 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 34' ' ' TRP . . . . . . . . . . . . . 64.1 p-90 -51.44 -29.74 17.12 Favored 'General case' 0 CA--C 1.545 0.782 0 C-N-CA 126.298 1.839 . . . . 10.0 114.772 173.78 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 30.4 mt-30 -72.5 -31.88 65.72 Favored 'General case' 0 N--CA 1.473 0.709 0 C-N-CA 124.729 1.212 . . . . 10.0 113.771 175.562 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 36' ' ' PHE . . . . . . . . . . . . . 46.4 m-85 -78.75 151.98 77.25 Favored Pre-proline 0 CA--C 1.545 0.76 0 C-N-CA 125.045 1.338 . . . . 10.0 112.872 -169.671 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 94.9 Cg_endo -73.61 103.87 1.71 Allowed 'Trans proline' 0 CA--C 1.536 0.611 0 C-N-CA 123.49 2.793 . . . . 10.0 109.52 169.602 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 3.0 p30 -70.02 -24.61 63.31 Favored 'General case' 0 N--CA 1.474 0.768 0 O-C-N 120.786 -1.196 . . . . 10.0 112.482 179.045 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . -126.37 162.7 20.5 Favored Glycine 0 CA--C 1.539 1.56 0 C-N-CA 126.177 1.846 . . . . 10.0 110.805 168.821 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 40' ' ' ILE . . . . . . . . . . . . . 94.7 mt -137.01 123.73 29.45 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.883 0 C-N-CA 124.521 1.129 . . . . 10.0 108.901 173.431 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 41' ' ' TYR . . . . . . . . . . . . . 67.3 t80 -71.59 106.7 4.13 Favored 'General case' 0 CA--C 1.535 0.383 0 C-N-CA 123.694 0.798 . . . . 10.0 110.191 171.888 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 42' ' ' TYR . . . . . . . . . . . . . 83.9 t80 -155.09 135.16 13.02 Favored 'General case' 0 CA--C 1.534 0.364 0 C-N-CA 124.138 0.975 . . . . 10.0 110.856 172.035 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 47.5 mt-10 -134.37 83.51 2.04 Favored 'General case' 0 N--CA 1.471 0.591 0 C-N-CA 125.905 1.682 . . . . 10.0 110.404 -175.708 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . -81.81 -29.4 38.89 Favored Glycine 0 CA--C 1.536 1.38 0 C-N-CA 124.739 1.162 . . . . 10.0 114.622 -177.292 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 45' ' ' CYS . . . . . . . . . . . . . 66.2 m -55.83 119.94 6.58 Favored 'General case' 0 CA--C 1.543 0.693 0 C-N-CA 126.003 1.721 . . . . 10.0 112.907 -176.663 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 14.5 p -144.68 -61.09 0.37 Allowed 'General case' 0 N--CA 1.472 0.633 0 C-N-CA 126.086 1.755 . . . . 10.0 111.788 178.93 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 11.5 pt-20 -142.59 158.95 43.14 Favored 'General case' 0 N--CA 1.472 0.659 0 C-N-CA 125.969 1.708 . . . . 10.0 112.915 -179.362 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -52.94 -29.2 27.33 Favored 'General case' 0 CA--C 1.546 0.794 0 C-N-CA 126.262 1.825 . . . . 10.0 115.546 -174.891 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 74.6 m-20 -59.41 -29.12 67.52 Favored 'General case' 0 CA--C 1.545 0.784 0 C-N-CA 124.628 1.171 . . . . 10.0 113.196 173.989 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . 64.2 t -74.81 95.15 0.9 Allowed 'Isoleucine or valine' 0 N--CA 1.473 0.689 0 C-N-CA 124.589 1.156 . . . . 10.0 108.724 169.784 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 81.5 p -75.4 176.71 7.23 Favored 'General case' 0 N--CA 1.477 0.906 0 C-N-CA 125.381 1.473 . . . . 10.0 111.798 171.864 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 88.0 tttt -59.99 -50.39 73.93 Favored 'General case' 0 N--CA 1.473 0.684 0 O-C-N 121.067 -1.021 . . . . 10.0 110.94 169.761 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 2.3 mp0 -50.21 -49.89 51.34 Favored 'General case' 0 CA--C 1.538 0.509 0 C-N-CA 124.797 1.239 . . . . 10.0 111.915 176.578 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 54' ' ' MET . . . . . . . . . . . . . 84.4 mmm -54.82 -57.85 9.94 Favored 'General case' 0 N--CA 1.468 0.452 0 C-N-CA 124.628 1.171 . . . . 10.0 112.176 171.078 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 6.9 tt -60.07 -54.72 42.65 Favored 'General case' 0 CA--C 1.534 0.342 0 C-N-CA 124.3 1.04 . . . . 10.0 112.472 -174.043 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 96.2 t -58.47 -45.33 90.03 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.795 0 C-N-CA 125.543 1.537 . . . . 10.0 111.228 -177.391 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 57' ' ' THR . . . . . . . . . . . . . 62.4 m -60.44 -48.72 80.54 Favored 'General case' 0 N--CA 1.477 0.923 0 C-N-CA 124.148 0.979 . . . . 10.0 111.455 173.48 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 48.8 m -59.23 -39.3 82.31 Favored 'General case' 0 N--CA 1.471 0.609 0 C-N-CA 124.136 0.974 . . . . 10.0 112.612 176.086 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 59' ' ' CYS . . . . . . . . . . . . . 44.6 t -59.08 -48.78 80.35 Favored 'General case' 0 CA--C 1.536 0.44 0 C-N-CA 126.094 1.757 . . . . 10.0 112.662 173.447 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 60' ' ' VAL . . . . . . . . . . . . . 51.1 t -55.92 -50.63 67.9 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.042 0 CA-C-N 119.129 0.877 . . . . 10.0 111.298 171.993 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 61' ' ' ASN . . . . . . . . . . . . . 21.9 m-80 -57.04 -44.95 83.46 Favored 'General case' 0 CA--C 1.544 0.729 0 C-N-CA 124.508 1.123 . . . . 10.0 113.018 175.915 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -61.55 -46.66 88.99 Favored 'General case' 0 CA--C 1.538 0.484 0 C-N-CA 124.476 1.111 . . . . 10.0 111.33 174.834 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 63' ' ' THR . . . . . . . . . . . . . 32.6 m -55.89 -47.99 76.41 Favored 'General case' 0 N--CA 1.472 0.673 0 C-N-CA 125.376 1.471 . . . . 10.0 111.815 176.029 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 64' ' ' GLN . . . . . . . . . . . . . 42.1 mt-30 -50.16 -60.66 2.74 Favored 'General case' 0 CA--C 1.538 0.517 0 C-N-CA 124.413 1.085 . . . . 10.0 111.534 170.78 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -56.92 -43.54 81.53 Favored 'General case' 0 CA--C 1.545 0.758 0 C-N-CA 125.867 1.667 . . . . 10.0 114.141 -178.082 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -68.26 -35.82 78.48 Favored 'General case' 0 CA--C 1.545 0.755 0 C-N-CA 125.153 1.381 . . . . 10.0 114.206 179.506 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 67' ' ' ASN . . . . . . . . . . . . . 7.1 m-80 -123.54 37.81 4.33 Favored 'General case' 0 CA--C 1.547 0.836 0 C-N-CA 124.271 1.028 . . . . 10.0 113.091 -169.776 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 68' ' ' GLN . . . . . . . . . . . . . 62.8 mt-30 -51.94 -50.94 60.17 Favored 'General case' 0 N--CA 1.476 0.871 0 C-N-CA 126.142 1.777 . . . . 10.0 113.241 -175.917 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -53.43 -46.79 69.95 Favored 'General case' 0 CA--C 1.541 0.597 0 C-N-CA 125.257 1.423 . . . . 10.0 112.937 -178.199 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 23.5 mm-40 -58.21 -56.34 23.26 Favored 'General case' 0 N--CA 1.469 0.515 0 C-N-CA 124.5 1.12 . . . . 10.0 111.177 -178.564 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 71' ' ' PHE . . . . . . . . . . . . . 25.9 m-85 -55.71 -48.84 74.47 Favored 'General case' 0 CA--C 1.538 0.519 0 C-N-CA 124.522 1.129 . . . . 10.0 112.159 174.949 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 69.8 m -56.3 -46.44 79.8 Favored 'General case' 0 N--CA 1.473 0.703 0 C-N-CA 125.527 1.531 . . . . 10.0 113.386 -179.282 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 73' ' ' ARG . . . . . . . . . . . . . 28.7 mmm180 -66.16 -55.18 17.63 Favored 'General case' 0 N--CA 1.474 0.759 0 C-N-CA 124.501 1.121 . . . . 10.0 112.147 174.997 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 31.5 mm-40 -57.95 -55.86 29.43 Favored 'General case' 0 N--CA 1.471 0.579 0 C-N-CA 124.533 1.133 . . . . 10.0 113.493 -173.991 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 20.4 pttp -49.51 -27.28 4.18 Favored 'General case' 0 N--CA 1.473 0.686 0 N-CA-C 116.882 2.178 . . . . 10.0 116.882 -170.05 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 76' ' ' GLN . . . . . . . . . . . . . 21.9 mm100 -58.4 -33.83 70.08 Favored 'General case' 0 CA--C 1.542 0.667 0 C-N-CA 125.693 1.597 . . . . 10.0 113.055 178.228 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 32.6 t70 -135.1 -40.22 0.75 Allowed 'General case' 0 N--CA 1.473 0.715 0 C-N-CA 125.753 1.621 . . . . 10.0 113.088 -176.121 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -77.13 52.92 0.93 Allowed 'General case' 0 CA--C 1.545 0.767 0 C-N-CA 127.814 2.446 . . . . 10.0 112.681 -176.074 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 99.3 mttt -59.33 -52.29 66.26 Favored 'General case' 0 N--CA 1.475 0.778 0 C-N-CA 126.087 1.755 . . . . 10.0 112.421 -174.681 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 50.6 tp -57.14 -46.21 82.88 Favored 'General case' 0 N--CA 1.471 0.587 0 C-N-CA 123.873 0.869 . . . . 10.0 111.552 173.073 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 81' ' ' HIS . . . . . . . . . . . . . 17.7 t-160 -52.18 -54.48 30.28 Favored 'General case' 0 N--CA 1.47 0.566 0 CA-C-O 117.995 -1.002 . . . . 10.0 111.454 177.418 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 82' ' ' GLN . . . . . . . . . . . . . 20.4 mm100 -49.9 -52.44 33.0 Favored 'General case' 0 N--CA 1.473 0.684 0 CA-C-N 119.277 0.944 . . . . 10.0 112.858 178.656 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 83' ' ' ARG . . . . . . . . . . . . . 55.5 mmm-85 -54.61 -54.33 42.85 Favored 'General case' 0 N--CA 1.48 1.071 0 C-N-CA 123.905 0.882 . . . . 10.0 112.524 178.702 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 84' ' ' VAL . . . . . . . . . . . . . 43.7 t -59.32 -49.53 83.16 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.895 0 C-N-CA 125.519 1.527 . . . . 10.0 110.794 177.189 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 85' ' ' LEU . . . . . . . . . . . . . 47.4 tp -55.79 -47.28 77.36 Favored 'General case' 0 N--CA 1.468 0.458 0 C-N-CA 127.166 2.186 . . . . 10.0 112.83 178.11 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 86' ' ' TRP . . . . . . . . . . . . . 62.1 m95 -63.3 -42.8 99.07 Favored 'General case' 0 N--CA 1.469 0.491 0 N-CA-C 113.82 1.045 . . . . 10.0 113.82 175.356 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 87' ' ' ARG . . . . . . . . . . . . . 14.0 tpt180 -56.75 -50.87 70.95 Favored 'General case' 0 N--CA 1.476 0.865 0 CA-C-N 118.853 0.751 . . . . 10.0 111.553 170.067 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 88' ' ' LEU . . . . . . . . . . . . . 1.9 tm? -52.17 -52.78 49.86 Favored 'General case' 0 CA--C 1.545 0.783 0 C-N-CA 125.772 1.629 . . . . 10.0 111.816 173.89 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 89' ' ' ILE . . . . . . . . . . . . . 70.3 mt -53.28 -50.74 45.65 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.788 0 C-N-CA 124.705 1.202 . . . . 10.0 111.082 173.905 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 16.7 tppt? -57.53 -48.51 79.11 Favored 'General case' 0 N--CA 1.474 0.753 0 C-N-CA 124.613 1.165 . . . . 10.0 112.965 177.371 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 68.8 mm-40 -52.67 -48.98 66.13 Favored 'General case' 0 N--CA 1.474 0.775 0 CA-C-N 119.437 1.017 . . . . 10.0 111.869 174.01 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 92' ' ' ILE . . . . . . . . . . . . . 97.3 mt -60.92 -52.06 65.98 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.679 0 C-N-CA 124.142 0.977 . . . . 10.0 111.536 174.921 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 93' ' ' CYS . . . . . . . . . . . . . 56.4 m -56.01 -46.33 78.79 Favored 'General case' 0 CA--C 1.542 0.654 0 C-N-CA 123.821 0.848 . . . . 10.0 112.248 177.943 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 16.2 t -51.19 -37.88 49.12 Favored 'General case' 0 N--CA 1.476 0.868 0 C-N-CA 125.516 1.526 . . . . 10.0 113.777 173.495 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . -66.77 -21.97 66.05 Favored 'General case' 0 CA--C 1.548 0.894 0 N-CA-C 114.924 1.453 . . . . 10.0 114.924 179.702 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 96' ' ' LYS . . . . . . . . . . . . . 3.4 mptp? -62.63 123.8 19.33 Favored 'General case' 0 N--CA 1.48 1.06 0 CA-C-N 119.643 1.11 . . . . 10.0 109.748 173.46 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 97' ' ' HIS . . . . . 0.473 ' HA ' ' CZ3' ' A' ' 101' ' ' TRP . 3.5 m-70 -133.61 154.05 51.19 Favored 'General case' 0 N--CA 1.473 0.684 0 C-N-CA 125.515 1.526 . . . . 10.0 111.635 177.7 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 98' ' ' CYS . . . . . . . . . . . . . 33.2 m -118.14 135.95 53.91 Favored 'General case' 0 CA--C 1.537 0.48 0 C-N-CA 124.811 1.244 . . . . 10.0 111.645 -179.819 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 99' ' ' ASP . . . . . . . . . . . . . 32.2 t70 -58.75 -37.82 77.05 Favored 'General case' 0 CA--C 1.544 0.735 0 C-N-CA 124.852 1.261 . . . . 10.0 113.194 -179.899 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 100' ' ' PHE . . . . . . . . . . . . . 12.5 p90 -69.28 -12.53 61.75 Favored 'General case' 0 CA--C 1.545 0.776 0 N-CA-C 115.337 1.606 . . . . 10.0 115.337 -179.364 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 101' ' ' TRP . . . . . 0.473 ' CZ3' ' HA ' ' A' ' 97' ' ' HIS . 40.5 m0 -60.49 141.28 56.68 Favored 'General case' 0 N--CA 1.474 0.738 0 CA-C-N 119.901 1.228 . . . . 10.0 113.543 -179.093 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 102' ' ' LEU . . . . . . . . . . . . . 2.6 pt? -146.45 177.08 9.31 Favored 'General case' 0 CA--C 1.544 0.749 0 C-N-CA 127.474 2.309 . . . . 10.0 112.008 -169.932 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 10.9 pt-20 -63.92 161.91 14.79 Favored 'General case' 0 CA--C 1.548 0.866 0 N-CA-C 114.13 1.159 . . . . 10.0 114.13 177.641 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 104' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -61.37 153.48 26.67 Favored 'General case' 0 N--CA 1.477 0.92 0 C-N-CA 124.578 1.151 . . . . 10.0 113.888 179.293 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 105' ' ' GLY . . . . . . . . . . . . . . . -75.15 134.98 17.91 Favored Glycine 0 CA--C 1.535 1.314 0 C-N-CA 124.28 0.943 . . . . 10.0 112.029 173.331 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 106' ' ' ALA . . . . . . . . . . . . . . . -149.39 161.68 41.59 Favored 'General case' 0 CA--C 1.546 0.806 0 C-N-CA 125.307 1.443 . . . . 10.0 112.365 -179.658 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 107' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.253 1.264 0 C-N-CA 126.647 1.979 . . . . 10.0 112.137 179.929 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A ' 1' ' ' ARG . . . . . . . . . . . . . 13.3 ptm180 . . . . . 0 N--CA 1.491 1.582 0 CA-C-O 120.557 0.218 . . . . 10.0 111.483 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A ' 2' ' ' VAL . . . . . . . . . . . . . 88.3 t -71.25 107.61 2.47 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.886 0 C-N-CA 124.334 1.053 . . . . 10.0 109.319 169.788 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -60.52 -33.61 72.88 Favored 'General case' 0 CA--C 1.543 0.687 0 C-N-CA 124.559 1.143 . . . . 10.0 113.179 -179.599 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 44.2 mt-10 -62.54 -14.44 42.05 Favored 'General case' 0 N--CA 1.475 0.796 0 C-N-CA 125.257 1.423 . . . . 10.0 113.838 174.311 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 5' ' ' ASN . . . . . . . . . . . . . 14.4 t-20 -130.37 59.4 1.65 Allowed 'General case' 0 CA--C 1.546 0.823 0 C-N-CA 126.418 1.887 . . . . 10.0 110.428 173.7 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 33.7 ptt180 -84.67 153.19 61.02 Favored Pre-proline 0 N--CA 1.475 0.81 0 C-N-CA 126.187 1.795 . . . . 10.0 111.819 169.794 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 7' ' ' PRO . . . . . . . . . . . . . 54.6 Cg_exo -51.43 121.04 7.77 Favored 'Trans proline' 0 CA--C 1.537 0.661 0 C-N-CA 123.461 2.774 . . . . 10.0 112.107 174.653 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . 115.34 -19.95 14.34 Favored Glycine 0 CA--C 1.537 1.434 0 C-N-CA 126.392 1.948 . . . . 10.0 114.216 -173.749 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -56.12 130.42 44.08 Favored 'General case' 0 CA--C 1.549 0.93 0 CA-C-N 119.432 1.616 . . . . 10.0 113.753 -171.322 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 10' ' ' PHE . . . . . . . . . . . . . 14.0 m-30 -57.78 145.44 34.85 Favored 'General case' 0 CA--C 1.542 0.657 0 C-N-CA 125.424 1.489 . . . . 10.0 113.085 173.844 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 53.4 mt -125.43 108.41 19.71 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.48 0 C-N-CA 125.06 1.344 . . . . 10.0 107.432 169.697 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 79.0 mttt -107.9 84.34 1.94 Allowed 'General case' 0 N--CA 1.471 0.622 0 C-N-CA 126.162 1.785 . . . . 10.0 110.417 -179.398 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 34.1 mt-30 -76.35 -35.33 58.77 Favored 'General case' 0 CA--C 1.541 0.599 0 C-N-CA 125.331 1.452 . . . . 10.0 110.508 169.717 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . 97.34 16.16 35.7 Favored Glycine 0 CA--C 1.535 1.316 0 C-N-CA 126.029 1.776 . . . . 10.0 113.122 -175.54 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 12.9 ttp180 -69.61 114.14 7.55 Favored 'General case' 0 N--CA 1.469 0.518 0 C-N-CA 127.609 2.364 . . . . 10.0 110.46 178.463 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 77.1 tttt -75.22 106.23 6.64 Favored 'General case' 0 N--CA 1.473 0.721 0 C-N-CA 125.236 1.414 . . . . 10.0 110.713 178.734 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 71.4 mt -79.77 179.66 7.41 Favored 'General case' 0 CA--C 1.546 0.8 0 C-N-CA 125.507 1.523 . . . . 10.0 112.221 -179.6 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 20.7 t70 -131.78 102.33 5.83 Favored 'General case' 0 CA--C 1.541 0.619 0 C-N-CA 125.695 1.598 . . . . 10.0 110.392 174.189 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . 95.4 mt -136.31 129.11 46.07 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.695 0 C-N-CA 127.159 2.183 . . . . 10.0 107.983 -175.542 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 24.3 t0 -87.31 84.1 7.26 Favored 'General case' 0 CA--C 1.54 0.567 0 CA-C-O 121.953 0.882 . . . . 10.0 110.828 172.737 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 21' ' ' PHE . . . . . . . . . . . . . 83.1 m-85 -62.61 -44.16 97.0 Favored 'General case' 0 CA--C 1.539 0.557 0 C-N-CA 126.786 2.035 . . . . 10.0 111.524 169.995 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 133.55 158.6 8.74 Favored Glycine 0 CA--C 1.533 1.213 0 C-N-CA 128.142 2.782 . . . . 10.0 110.185 -169.686 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -41.82 -53.93 3.55 Favored 'General case' 0 CA--C 1.547 0.852 0 N-CA-C 116.078 1.881 . . . . 10.0 116.078 -169.659 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 39.4 tt0 -66.28 -48.14 71.37 Favored 'General case' 0 N--CA 1.473 0.703 0 C-N-CA 125.086 1.354 . . . . 10.0 112.416 178.177 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -64.65 -40.28 97.39 Favored Glycine 0 CA--C 1.534 1.219 0 C-N-CA 124.958 1.266 . . . . 10.0 114.084 179.689 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 81.1 m-20 -55.09 -50.78 68.32 Favored 'General case' 0 CA--C 1.534 0.333 0 C-N-CA 126.468 1.907 . . . . 10.0 110.292 172.91 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 74.0 mtt85 -60.2 -46.08 90.95 Favored 'General case' 0 N--CA 1.475 0.808 0 C-N-CA 124.496 1.118 . . . . 10.0 111.701 176.656 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 28' ' ' TYR . . . . . . . . . . . . . 68.4 t80 -57.93 -54.65 44.57 Favored 'General case' 0 CA--C 1.537 0.452 0 C-N-CA 123.812 0.845 . . . . 10.0 112.322 176.636 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 29' ' ' TYR . . . . . . . . . . . . . 74.8 t80 -56.88 -51.36 69.36 Favored 'General case' 0 N--CA 1.468 0.438 0 C-N-CA 123.867 0.867 . . . . 10.0 112.097 176.467 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -51.23 -32.94 25.8 Favored 'General case' 0 CA--C 1.546 0.809 0 N-CA-C 114.007 1.114 . . . . 10.0 114.007 178.571 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -89.28 -28.57 19.8 Favored 'General case' 0 CA--C 1.551 1.019 0 C-N-CA 125.637 1.575 . . . . 10.0 114.962 175.914 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 32' ' ' ASN . . . . . . . . . . . . . 55.8 m-80 -122.53 7.64 9.52 Favored 'General case' 0 CA--C 1.547 0.859 0 N-CA-C 116.371 1.989 . . . . 10.0 116.371 -169.153 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 33' ' ' TYR . . . . . . . . . . . . . 47.5 p90 -43.87 -38.57 3.41 Favored 'General case' 0 N--CA 1.477 0.891 0 C-N-CA 127.548 2.339 . . . . 10.0 114.959 -178.006 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 34' ' ' TRP . . . . . . . . . . . . . 63.5 p-90 -49.95 -33.39 17.46 Favored 'General case' 0 CA--C 1.545 0.76 0 C-N-CA 126.528 1.931 . . . . 10.0 114.436 175.479 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 29.7 mt-30 -70.42 -32.02 69.46 Favored 'General case' 0 N--CA 1.471 0.62 0 C-N-CA 124.587 1.155 . . . . 10.0 113.956 176.69 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 36' ' ' PHE . . . . . . . . . . . . . 50.9 m-85 -78.13 150.31 77.43 Favored Pre-proline 0 CA--C 1.543 0.706 0 C-N-CA 125.171 1.388 . . . . 10.0 113.489 -169.556 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 83.2 Cg_endo -74.56 96.56 0.99 Allowed 'Trans proline' 0 CA--C 1.537 0.631 0 C-N-CA 123.661 2.907 . . . . 10.0 109.785 169.617 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 3.8 p30 -66.53 -25.24 66.58 Favored 'General case' 0 N--CA 1.474 0.75 0 O-C-N 120.963 -1.086 . . . . 10.0 112.401 178.642 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . -124.4 162.02 18.67 Favored Glycine 0 CA--C 1.537 1.408 0 C-N-CA 125.911 1.72 . . . . 10.0 110.717 168.904 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 40' ' ' ILE . . . . . . . . . . . . . 96.9 mt -135.96 124.14 36.72 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.712 0 C-N-CA 124.691 1.196 . . . . 10.0 108.74 175.173 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 41' ' ' TYR . . . . . . . . . . . . . 72.5 t80 -76.64 120.78 22.3 Favored 'General case' 0 CA--C 1.534 0.341 0 C-N-CA 124.379 1.071 . . . . 10.0 109.486 169.876 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 42' ' ' TYR . . . . . . . . . . . . . 49.6 t80 -151.54 151.62 31.83 Favored 'General case' 0 CA--C 1.541 0.602 0 O-C-N 121.418 -0.802 . . . . 10.0 111.901 177.147 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 48.1 mt-10 -130.16 96.61 4.22 Favored 'General case' 0 CA--C 1.538 0.494 0 C-N-CA 126.379 1.872 . . . . 10.0 109.717 -178.584 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . -113.94 -71.12 0.54 Allowed Glycine 0 CA--C 1.531 1.041 0 C-N-CA 125.56 1.552 . . . . 10.0 113.169 -174.281 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 45' ' ' CYS . . . . . . . . . . . . . 29.5 m -58.69 137.05 57.81 Favored 'General case' 0 CA--C 1.541 0.617 0 C-N-CA 125.463 1.505 . . . . 10.0 113.858 -178.698 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 49.4 p -145.91 -50.81 0.23 Allowed 'General case' 0 N--CA 1.472 0.661 0 C-N-CA 126.699 2.0 . . . . 10.0 111.417 179.61 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 11.5 pt-20 -138.54 161.2 37.67 Favored 'General case' 0 CA--C 1.541 0.605 0 C-N-CA 126.884 2.074 . . . . 10.0 112.352 178.643 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -52.48 -26.62 13.41 Favored 'General case' 0 CA--C 1.545 0.779 0 C-N-CA 126.484 1.914 . . . . 10.0 115.726 -174.614 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 71.0 m-20 -61.14 -31.03 70.75 Favored 'General case' 0 CA--C 1.545 0.758 0 C-N-CA 124.42 1.088 . . . . 10.0 113.32 174.478 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . 58.2 t -70.07 108.41 2.2 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.831 0 C-N-CA 124.434 1.094 . . . . 10.0 109.735 172.895 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 54.9 p -85.48 173.37 10.28 Favored 'General case' 0 N--CA 1.477 0.875 0 C-N-CA 124.186 0.994 . . . . 10.0 112.229 179.325 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 83.1 tttt -62.6 -49.02 76.89 Favored 'General case' 0 N--CA 1.471 0.584 0 O-C-N 121.403 -0.811 . . . . 10.0 110.954 169.742 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 2.3 mp0 -49.83 -48.35 50.99 Favored 'General case' 0 N--CA 1.471 0.584 0 C-N-CA 124.923 1.289 . . . . 10.0 112.212 174.975 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 54' ' ' MET . . . . . . . . . . . . . 92.9 mtp -55.1 -58.15 8.85 Favored 'General case' 0 N--CA 1.468 0.437 0 C-N-CA 124.409 1.084 . . . . 10.0 111.927 170.224 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 7.8 tt -53.73 -54.68 34.63 Favored 'General case' 0 CA--C 1.536 0.405 0 C-N-CA 124.185 0.994 . . . . 10.0 113.046 -178.544 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 47.8 t -58.95 -49.92 81.44 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.877 0 C-N-CA 124.155 0.982 . . . . 10.0 111.002 -175.017 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 57' ' ' THR . . . . . . . . . . . . . 31.0 m -60.67 -49.83 75.95 Favored 'General case' 0 N--CA 1.476 0.831 0 C-N-CA 124.488 1.115 . . . . 10.0 111.808 176.239 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 49.3 m -62.51 -37.92 87.94 Favored 'General case' 0 N--CA 1.472 0.638 0 C-N-CA 124.065 0.946 . . . . 10.0 112.651 179.512 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 59' ' ' CYS . . . . . . . . . . . . . 35.1 t -58.5 -49.27 77.98 Favored 'General case' 0 CA--C 1.537 0.475 0 C-N-CA 126.023 1.729 . . . . 10.0 112.452 173.332 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 60' ' ' VAL . . . . . . . . . . . . . 54.8 t -54.89 -51.14 55.85 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.062 0 C-N-CA 124.032 0.933 . . . . 10.0 111.342 171.664 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 61' ' ' ASN . . . . . . . . . . . . . 20.8 m-80 -58.11 -45.34 87.43 Favored 'General case' 0 CA--C 1.545 0.774 0 C-N-CA 124.547 1.139 . . . . 10.0 113.058 176.938 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -61.95 -47.37 85.18 Favored 'General case' 0 CA--C 1.535 0.398 0 C-N-CA 124.4 1.08 . . . . 10.0 111.297 175.914 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 63' ' ' THR . . . . . . . . . . . . . 33.4 m -53.12 -52.05 59.94 Favored 'General case' 0 N--CA 1.472 0.653 0 C-N-CA 125.057 1.343 . . . . 10.0 111.357 175.219 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 64' ' ' GLN . . . . . . . . . . . . . 79.3 mt-30 -49.5 -59.31 3.87 Favored 'General case' 0 N--CA 1.47 0.563 0 C-N-CA 125.253 1.421 . . . . 10.0 112.21 173.242 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -56.42 -43.22 79.16 Favored 'General case' 0 CA--C 1.544 0.743 0 C-N-CA 125.311 1.444 . . . . 10.0 113.554 179.717 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -71.96 -33.42 68.16 Favored 'General case' 0 CA--C 1.543 0.685 0 N-CA-C 114.634 1.346 . . . . 10.0 114.634 -177.07 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 67' ' ' ASN . . . . . . . . . . . . . 9.6 m-80 -122.55 40.18 3.74 Favored 'General case' 0 CA--C 1.547 0.863 0 CA-C-N 119.299 0.954 . . . . 10.0 112.737 -170.335 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 68' ' ' GLN . . . . . . . . . . . . . 65.9 mt-30 -53.91 -45.07 71.05 Favored 'General case' 0 N--CA 1.475 0.795 0 C-N-CA 125.572 1.549 . . . . 10.0 113.338 -177.949 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -54.94 -43.57 73.52 Favored 'General case' 0 CA--C 1.544 0.73 0 C-N-CA 125.363 1.465 . . . . 10.0 113.43 179.462 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 10.0 mm-40 -65.44 -53.62 40.28 Favored 'General case' 0 N--CA 1.47 0.567 0 C-N-CA 125.636 1.575 . . . . 10.0 111.37 176.669 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 71' ' ' PHE . . . . . . . . . . . . . 37.6 m-85 -61.25 -31.45 71.25 Favored 'General case' 0 N--CA 1.469 0.502 0 N-CA-C 113.669 0.988 . . . . 10.0 113.669 178.25 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 69.6 m -62.18 -55.51 27.88 Favored 'General case' 0 N--CA 1.471 0.596 0 C-N-CA 124.004 0.922 . . . . 10.0 112.16 175.417 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 73' ' ' ARG . . . . . . . . . . . . . 20.2 ptp180 -70.25 -50.7 37.01 Favored 'General case' 0 N--CA 1.476 0.832 0 C-N-CA 124.05 0.94 . . . . 10.0 113.437 -177.815 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 69.5 mm-40 -81.33 52.35 1.82 Allowed 'General case' 0 N--CA 1.477 0.91 0 C-N-CA 125.311 1.444 . . . . 10.0 112.236 -179.741 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 41.0 ttmt -142.37 -53.68 0.42 Allowed 'General case' 0 N--CA 1.477 0.923 0 C-N-CA 125.841 1.656 . . . . 10.0 113.288 176.623 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 76' ' ' GLN . . . . . . . . . . . . . 17.7 mm100 -43.93 -45.48 7.69 Favored 'General case' 0 N--CA 1.474 0.768 0 C-N-CA 126.992 2.117 . . . . 10.0 114.533 -169.832 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 26.4 t0 -135.76 50.07 2.12 Favored 'General case' 0 CA--C 1.544 0.747 0 C-N-CA 124.889 1.276 . . . . 10.0 110.36 169.911 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 5.6 m -143.84 37.17 1.3 Allowed 'General case' 0 N--CA 1.477 0.886 0 C-N-CA 125.209 1.404 . . . . 10.0 112.43 -169.907 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 14.5 mmmm -58.97 -45.38 90.69 Favored 'General case' 0 N--CA 1.478 0.969 0 C-N-CA 124.863 1.265 . . . . 10.0 112.941 -175.119 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 44.6 tp -55.72 -46.88 77.64 Favored 'General case' 0 N--CA 1.472 0.632 0 C-N-CA 124.378 1.071 . . . . 10.0 111.85 171.365 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 81' ' ' HIS . . . . . . . . . . . . . 10.0 t-160 -56.63 -54.83 41.5 Favored 'General case' 0 N--CA 1.47 0.53 0 CA-C-O 118.164 -0.922 . . . . 10.0 110.996 174.164 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 82' ' ' GLN . . . . . . . . . . . . . 75.0 mm-40 -48.53 -55.66 10.47 Favored 'General case' 0 N--CA 1.476 0.827 0 C-N-CA 124.603 1.161 . . . . 10.0 112.655 176.348 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 83' ' ' ARG . . . . . . . . . . . . . 48.2 mtp180 -47.82 -57.99 4.93 Favored 'General case' 0 N--CA 1.48 1.064 0 C-N-CA 125.468 1.507 . . . . 10.0 112.548 178.295 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 84' ' ' VAL . . . . . . . . . . . . . 46.9 t -62.87 -50.12 80.94 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.8 0 C-N-CA 125.625 1.57 . . . . 10.0 111.019 179.193 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 85' ' ' LEU . . . . . . . . . . . . . 47.5 tp -55.09 -47.02 75.49 Favored 'General case' 0 N--CA 1.469 0.514 0 C-N-CA 126.541 1.936 . . . . 10.0 112.65 179.652 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 86' ' ' TRP . . . . . . . . . . . . . 63.0 m95 -62.43 -45.9 91.01 Favored 'General case' 0 N--CA 1.465 0.301 0 N-CA-C 113.66 0.985 . . . . 10.0 113.66 175.471 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 87' ' ' ARG . . . . . . . . . . . . . 13.9 tpt180 -55.77 -50.9 69.2 Favored 'General case' 0 N--CA 1.473 0.721 0 CA-C-N 119.062 0.846 . . . . 10.0 111.489 171.212 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 88' ' ' LEU . . . . . . . . . . . . . 1.7 tm? -52.52 -53.31 47.77 Favored 'General case' 0 CA--C 1.545 0.769 0 C-N-CA 125.982 1.713 . . . . 10.0 112.027 175.314 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 89' ' ' ILE . . . . . . . . . . . . . 70.7 mt -54.93 -53.91 28.86 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.835 0 C-N-CA 124.355 1.062 . . . . 10.0 111.059 175.237 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 94.2 mttt -57.95 -43.5 86.41 Favored 'General case' 0 N--CA 1.472 0.627 0 C-N-CA 124.525 1.13 . . . . 10.0 112.836 178.322 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 8.7 tp10 -54.65 -51.45 65.39 Favored 'General case' 0 CA--C 1.543 0.704 0 C-N-CA 125.502 1.521 . . . . 10.0 111.465 173.309 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 92' ' ' ILE . . . . . . . . . . . . . 96.5 mt -57.58 -52.55 55.85 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.932 0 C-N-CA 124.814 1.246 . . . . 10.0 111.551 174.049 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 93' ' ' CYS . . . . . . . . . . . . . 91.1 m -56.07 -43.36 77.9 Favored 'General case' 0 CA--C 1.547 0.843 0 C-N-CA 124.195 0.998 . . . . 10.0 112.363 177.625 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 53.6 m -65.89 -40.39 91.53 Favored 'General case' 0 N--CA 1.477 0.892 0 C-N-CA 126.445 1.898 . . . . 10.0 113.657 176.662 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . -62.03 -53.33 57.08 Favored 'General case' 0 CA--C 1.543 0.683 0 C-N-CA 125.008 1.323 . . . . 10.0 113.063 -176.256 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 96' ' ' LYS . . . . . . . . . . . . . 18.9 ptpt -61.31 132.99 55.36 Favored 'General case' 0 N--CA 1.476 0.845 0 C-N-CA 124.587 1.155 . . . . 10.0 112.81 -178.637 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 97' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -133.13 153.69 51.29 Favored 'General case' 0 N--CA 1.47 0.551 0 C-N-CA 126.446 1.898 . . . . 10.0 114.083 -172.648 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 98' ' ' CYS . . . . . . . . . . . . . 56.2 m -111.11 129.83 55.81 Favored 'General case' 0 N--CA 1.47 0.564 0 C-N-CA 124.764 1.225 . . . . 10.0 112.029 -174.532 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 99' ' ' ASP . . . . . . . . . . . . . 5.9 p-10 -61.03 -31.4 71.04 Favored 'General case' 0 CA--C 1.543 0.674 0 C-N-CA 125.167 1.387 . . . . 10.0 114.703 -172.648 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 100' ' ' PHE . . . . . . . . . . . . . 7.1 p90 -73.6 -14.87 61.26 Favored 'General case' 0 CA--C 1.543 0.701 0 N-CA-C 114.804 1.409 . . . . 10.0 114.804 179.8 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 101' ' ' TRP . . . . . . . . . . . . . 43.5 m0 -58.92 139.8 56.19 Favored 'General case' 0 N--CA 1.472 0.654 0 CA-C-N 119.652 1.115 . . . . 10.0 112.861 -179.982 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 102' ' ' LEU . . . . . . . . . . . . . 2.7 pt? -145.28 168.88 19.39 Favored 'General case' 0 CA--C 1.542 0.637 0 C-N-CA 126.8 2.04 . . . . 10.0 112.299 -169.921 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 8.8 tp10 -145.04 155.46 43.37 Favored 'General case' 0 CA--C 1.544 0.744 0 C-N-CA 125.825 1.65 . . . . 10.0 111.128 -179.304 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 104' ' ' ARG . . . . . . . . . . . . . 64.5 mtm180 -54.3 -38.48 65.96 Favored 'General case' 0 N--CA 1.48 1.036 0 C-N-CA 127.221 2.208 . . . . 10.0 113.401 178.566 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 105' ' ' GLY . . . . . . . . . . . . . . . -156.68 -154.27 6.96 Favored Glycine 0 CA--C 1.535 1.282 0 C-N-CA 126.11 1.814 . . . . 10.0 112.657 177.789 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 106' ' ' ALA . . . . . . . . . . . . . . . -142.57 160.92 39.35 Favored 'General case' 0 CA--C 1.545 0.758 0 C-N-CA 125.538 1.535 . . . . 10.0 112.233 179.65 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 107' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.253 1.263 0 C-N-CA 126.687 1.995 . . . . 10.0 112.036 -179.866 . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A ' 1' ' ' ARG . . . . . . . . . . . . . 9.6 ptp180 . . . . . 0 N--CA 1.49 1.562 0 N-CA-C 111.446 0.165 . . . . 10.0 111.446 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A ' 2' ' ' VAL . . . . . . . . . . . . . 8.5 p -77.52 132.74 32.07 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.959 0 C-N-CA 124.113 0.965 . . . . 10.0 111.003 172.023 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -60.38 -36.15 77.41 Favored 'General case' 0 CA--C 1.544 0.734 0 C-N-CA 124.429 1.092 . . . . 10.0 113.219 -179.935 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 43.3 mt-10 -57.83 -22.63 48.73 Favored 'General case' 0 N--CA 1.474 0.736 0 C-N-CA 125.988 1.715 . . . . 10.0 114.588 179.868 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 5' ' ' ASN . . . . . . . . . . . . . 55.1 t30 -137.31 59.91 1.66 Allowed 'General case' 0 CA--C 1.544 0.744 0 C-N-CA 125.44 1.496 . . . . 10.0 111.561 176.273 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 7.8 ptm180 -72.7 155.67 90.67 Favored Pre-proline 0 N--CA 1.477 0.883 0 C-N-CA 124.144 0.978 . . . . 10.0 112.464 169.848 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 7' ' ' PRO . . . . . . . . . . . . . 67.1 Cg_exo -51.62 128.16 25.15 Favored 'Trans proline' 0 C--N 1.35 0.648 0 C-N-CA 123.584 2.856 . . . . 10.0 112.276 171.153 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . 106.77 -13.45 42.01 Favored Glycine 0 CA--C 1.535 1.315 0 C-N-CA 126.081 1.8 . . . . 10.0 114.143 -173.228 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -61.92 130.08 43.94 Favored 'General case' 0 CA--C 1.545 0.759 0 CA-C-N 119.39 1.595 . . . . 10.0 112.569 -176.171 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 10' ' ' PHE . . . . . . . . . . . . . 21.1 m-85 -61.28 149.3 38.34 Favored 'General case' 0 CA--C 1.541 0.602 0 C-N-CA 124.065 0.946 . . . . 10.0 112.587 174.238 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 76.7 mt -121.54 117.31 52.22 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.476 0 C-N-CA 125.735 1.614 . . . . 10.0 107.208 169.77 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 91.8 mttt -120.2 79.23 1.44 Allowed 'General case' 0 N--CA 1.471 0.59 0 C-N-CA 125.996 1.718 . . . . 10.0 109.74 -175.676 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 42.0 mt-30 -73.77 -36.72 65.12 Favored 'General case' 0 CA--C 1.539 0.536 0 C-N-CA 126.177 1.791 . . . . 10.0 110.854 171.687 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . 96.72 64.12 0.92 Allowed Glycine 0 CA--C 1.528 0.873 0 C-N-CA 125.423 1.487 . . . . 10.0 110.492 -178.317 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 15.7 ttp180 -132.33 106.57 7.99 Favored 'General case' 0 N--CA 1.469 0.496 0 C-N-CA 127.049 2.14 . . . . 10.0 110.142 -169.545 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 41.1 tttm -65.94 130.31 42.81 Favored 'General case' 0 N--CA 1.474 0.731 0 C-N-CA 123.865 0.866 . . . . 10.0 110.766 176.412 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 66.8 mt -96.89 -179.98 4.75 Favored 'General case' 0 CA--C 1.545 0.755 0 C-N-CA 126.581 1.952 . . . . 10.0 111.892 176.982 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 19.4 t0 -130.26 94.52 3.7 Favored 'General case' 0 CA--C 1.541 0.612 0 C-N-CA 125.863 1.665 . . . . 10.0 109.944 174.666 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . 94.3 mt -135.04 127.75 48.59 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.699 0 C-N-CA 126.915 2.086 . . . . 10.0 108.134 -173.321 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 23.6 t0 -86.58 84.71 7.35 Favored 'General case' 0 CA--C 1.539 0.54 0 CA-C-O 121.906 0.86 . . . . 10.0 110.542 171.712 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 21' ' ' PHE . . . . . . . . . . . . . 74.9 m-85 -62.81 -43.26 99.28 Favored 'General case' 0 CA--C 1.54 0.596 0 C-N-CA 126.794 2.038 . . . . 10.0 111.565 170.704 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 136.0 151.66 6.18 Favored Glycine 0 CA--C 1.533 1.186 0 C-N-CA 128.184 2.802 . . . . 10.0 109.685 -169.754 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -39.72 -58.31 1.36 Allowed 'General case' 0 CA--C 1.547 0.834 0 N-CA-C 115.785 1.772 . . . . 10.0 115.785 -169.46 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 33.7 tt0 -65.33 -43.27 91.5 Favored 'General case' 0 CA--C 1.546 0.79 0 C-N-CA 124.145 0.978 . . . . 10.0 112.718 -179.727 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -65.9 -39.14 94.85 Favored Glycine 0 CA--C 1.535 1.286 0 C-N-CA 124.823 1.202 . . . . 10.0 114.023 176.325 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 83.2 m-20 -56.79 -49.44 75.33 Favored 'General case' 0 CA--C 1.536 0.432 0 C-N-CA 125.842 1.657 . . . . 10.0 110.422 173.343 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 71.8 mtp85 -59.97 -45.95 91.03 Favored 'General case' 0 N--CA 1.473 0.719 0 C-N-CA 125.054 1.342 . . . . 10.0 111.468 176.592 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 28' ' ' TYR . . . . . . . . . . . . . 82.8 t80 -58.71 -53.87 53.53 Favored 'General case' 0 CA--C 1.537 0.449 0 C-N-CA 124.194 0.998 . . . . 10.0 112.008 176.459 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 29' ' ' TYR . . . . . . . . . . . . . 80.2 t80 -55.96 -52.87 62.63 Favored 'General case' 0 CA--C 1.537 0.45 0 C-N-CA 124.325 1.05 . . . . 10.0 112.484 176.684 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -49.84 -38.26 34.35 Favored 'General case' 0 CA--C 1.546 0.826 0 C-N-CA 124.232 1.013 . . . . 10.0 113.702 177.577 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -84.41 -23.26 30.11 Favored 'General case' 0 CA--C 1.551 0.985 0 N-CA-C 115.279 1.585 . . . . 10.0 115.279 176.759 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 32' ' ' ASN . . . . . . . . . . . . . 58.0 m-80 -128.48 10.03 6.12 Favored 'General case' 0 CA--C 1.548 0.883 0 N-CA-C 116.692 2.108 . . . . 10.0 116.692 -169.189 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 33' ' ' TYR . . . . . . . . . . . . . 43.4 p90 -51.33 -29.35 14.89 Favored 'General case' 0 N--CA 1.477 0.909 0 N-CA-C 115.15 1.537 . . . . 10.0 115.15 -175.648 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 34' ' ' TRP . . . . . . . . . . . . . 65.7 p-90 -50.93 -34.23 27.7 Favored 'General case' 0 CA--C 1.545 0.767 0 C-N-CA 125.85 1.66 . . . . 10.0 114.168 173.422 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 30.7 mt-30 -69.5 -39.09 77.8 Favored 'General case' 0 N--CA 1.472 0.65 0 C-N-CA 124.851 1.261 . . . . 10.0 113.672 176.34 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 36' ' ' PHE . . . . . . . . . . . . . 63.1 m-85 -73.57 154.32 89.63 Favored Pre-proline 0 CA--C 1.545 0.765 0 C-N-CA 126.305 1.842 . . . . 10.0 114.904 -169.178 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 94.3 Cg_endo -74.24 121.04 6.57 Favored 'Trans proline' 0 CA--C 1.537 0.652 0 C-N-CA 123.827 3.018 . . . . 10.0 109.494 169.171 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 3.6 p30 -87.42 -23.53 24.48 Favored 'General case' 0 CA--C 1.545 0.783 0 O-C-N 121.426 -0.796 . . . . 10.0 112.205 173.284 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . -131.36 167.11 22.64 Favored Glycine 0 CA--C 1.539 1.558 0 C-N-CA 126.365 1.936 . . . . 10.0 111.635 168.948 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 40' ' ' ILE . . . . . . . . . . . . . 96.8 mt -139.69 125.56 22.03 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.953 0 C-N-CA 125.079 1.351 . . . . 10.0 109.081 174.381 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 41' ' ' TYR . . . . . . . . . . . . . 86.7 t80 -75.48 117.6 17.45 Favored 'General case' 0 CA--C 1.537 0.455 0 C-N-CA 124.72 1.208 . . . . 10.0 110.279 169.968 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 42' ' ' TYR . . . . . . . . . . . . . 62.5 t80 -153.63 152.73 31.19 Favored 'General case' 0 CA--C 1.541 0.612 0 C-N-CA 124.263 1.025 . . . . 10.0 111.697 178.596 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 51.0 mt-10 -130.17 99.42 5.05 Favored 'General case' 0 N--CA 1.47 0.532 0 C-N-CA 125.879 1.672 . . . . 10.0 110.523 -179.441 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . -107.43 -49.99 0.83 Allowed Glycine 0 CA--C 1.532 1.13 0 C-N-CA 125.412 1.482 . . . . 10.0 114.313 -174.791 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 45' ' ' CYS . . . . . . . . . . . . . 65.2 m -59.51 127.05 30.1 Favored 'General case' 0 CA--C 1.544 0.747 0 C-N-CA 125.691 1.597 . . . . 10.0 113.246 -174.983 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 65.7 p -139.06 -58.61 0.6 Allowed 'General case' 0 N--CA 1.474 0.762 0 C-N-CA 125.834 1.654 . . . . 10.0 112.15 174.867 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 12.1 pt-20 -144.24 158.82 43.52 Favored 'General case' 0 N--CA 1.472 0.639 0 C-N-CA 125.933 1.693 . . . . 10.0 113.02 179.509 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -57.19 -21.06 30.56 Favored 'General case' 0 CA--C 1.545 0.773 0 N-CA-C 115.702 1.742 . . . . 10.0 115.702 -175.243 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 76.1 m-20 -65.61 -26.77 67.98 Favored 'General case' 0 CA--C 1.545 0.78 0 C-N-CA 124.244 1.018 . . . . 10.0 113.382 172.571 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . 67.8 t -63.63 115.05 2.2 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.85 0 C-N-CA 124.472 1.109 . . . . 10.0 109.348 170.554 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 39.6 p -86.41 172.57 10.28 Favored 'General case' 0 N--CA 1.475 0.787 0 C-N-CA 123.608 0.763 . . . . 10.0 111.983 177.383 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 40.8 tttp -60.61 -50.22 74.41 Favored 'General case' 0 N--CA 1.473 0.697 0 O-C-N 121.41 -0.806 . . . . 10.0 111.245 169.984 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 44.7 mt-10 -51.07 -49.08 61.33 Favored 'General case' 0 N--CA 1.471 0.597 0 C-N-CA 124.504 1.121 . . . . 10.0 111.803 176.011 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 54' ' ' MET . . . . . . . . . . . . . 94.5 mtp -54.25 -57.32 11.64 Favored 'General case' 0 N--CA 1.468 0.444 0 C-N-CA 124.193 0.997 . . . . 10.0 112.186 171.552 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 8.0 tt -61.69 -52.95 62.2 Favored 'General case' 0 CA--C 1.536 0.426 0 C-N-CA 123.553 0.741 . . . . 10.0 112.731 -173.424 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 62.5 t -57.32 -48.58 82.22 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.864 0 C-N-CA 124.961 1.305 . . . . 10.0 110.756 -179.869 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 57' ' ' THR . . . . . . . . . . . . . 65.9 m -59.94 -48.01 83.44 Favored 'General case' 0 N--CA 1.479 0.975 0 C-N-CA 124.346 1.058 . . . . 10.0 111.839 175.972 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 48.7 m -60.66 -39.56 88.8 Favored 'General case' 0 N--CA 1.472 0.635 0 C-N-CA 124.154 0.982 . . . . 10.0 112.522 177.395 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 59' ' ' CYS . . . . . . . . . . . . . 33.7 t -58.29 -49.4 77.26 Favored 'General case' 0 CA--C 1.54 0.561 0 C-N-CA 125.351 1.46 . . . . 10.0 112.759 171.451 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 60' ' ' VAL . . . . . . . . . . . . . 47.8 t -55.36 -48.7 76.52 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.067 0 C-N-CA 123.943 0.897 . . . . 10.0 111.501 172.092 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 61' ' ' ASN . . . . . . . . . . . . . 13.3 m-80 -59.2 -44.63 92.23 Favored 'General case' 0 CA--C 1.544 0.725 0 C-N-CA 124.547 1.139 . . . . 10.0 113.051 176.082 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -60.84 -46.51 90.28 Favored 'General case' 0 CA--C 1.537 0.445 0 C-N-CA 123.774 0.83 . . . . 10.0 111.284 174.25 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 63' ' ' THR . . . . . . . . . . . . . 27.1 m -57.53 -46.97 83.21 Favored 'General case' 0 N--CA 1.473 0.713 0 C-N-CA 124.992 1.317 . . . . 10.0 111.928 176.485 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 64' ' ' GLN . . . . . . . . . . . . . 62.1 mt-30 -50.47 -61.98 1.86 Allowed 'General case' 0 N--CA 1.468 0.451 0 C-N-CA 124.675 1.19 . . . . 10.0 111.662 169.995 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -55.14 -43.21 73.97 Favored 'General case' 0 CA--C 1.544 0.747 0 C-N-CA 125.732 1.613 . . . . 10.0 113.737 -178.471 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -66.28 -39.92 89.74 Favored 'General case' 0 CA--C 1.543 0.685 0 C-N-CA 125.449 1.5 . . . . 10.0 114.203 178.523 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 67' ' ' ASN . . . . . . . . . . . . . 12.5 m-80 -120.75 37.5 4.28 Favored 'General case' 0 N--CA 1.474 0.737 0 C-N-CA 124.206 1.002 . . . . 10.0 113.338 -169.575 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 68' ' ' GLN . . . . . . . . . . . . . 63.3 mt-30 -51.54 -53.36 38.67 Favored 'General case' 0 N--CA 1.475 0.798 0 C-N-CA 125.745 1.618 . . . . 10.0 112.417 -179.014 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -52.54 -45.78 66.5 Favored 'General case' 0 CA--C 1.54 0.582 0 C-N-CA 125.309 1.444 . . . . 10.0 112.944 178.769 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 8.2 mm-40 -57.78 -56.08 26.62 Favored 'General case' 0 N--CA 1.471 0.59 0 C-N-CA 124.45 1.1 . . . . 10.0 111.601 179.733 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 71' ' ' PHE . . . . . . . . . . . . . 29.6 m-85 -55.71 -50.1 71.23 Favored 'General case' 0 CA--C 1.539 0.54 0 C-N-CA 124.374 1.069 . . . . 10.0 112.098 176.75 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 61.9 m -56.65 -52.8 63.49 Favored 'General case' 0 N--CA 1.474 0.725 0 C-N-CA 124.857 1.263 . . . . 10.0 113.519 177.175 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 73' ' ' ARG . . . . . . . . . . . . . 64.4 mtm180 -60.03 -55.5 33.23 Favored 'General case' 0 N--CA 1.476 0.864 0 C-N-CA 124.754 1.221 . . . . 10.0 112.537 179.485 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 52.0 mm-40 -55.05 -68.45 0.19 Allowed 'General case' 0 CA--C 1.541 0.603 0 C-N-CA 125.011 1.324 . . . . 10.0 112.793 -178.5 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 88.0 tttt -33.11 -45.93 0.15 Allowed 'General case' 0 N--CA 1.481 1.081 0 C-N-CA 129.054 2.942 . . . . 10.0 116.096 -171.317 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 76' ' ' GLN . . . . . . . . . . . . . 20.0 mm100 -46.7 -49.38 19.5 Favored 'General case' 0 CA--C 1.542 0.661 0 C-N-CA 125.734 1.613 . . . . 10.0 113.025 178.129 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 32.7 t70 -104.59 -50.8 3.22 Favored 'General case' 0 N--CA 1.471 0.624 0 C-N-CA 125.447 1.499 . . . . 10.0 111.608 176.982 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 56.3 m -75.23 65.65 1.61 Allowed 'General case' 0 CA--C 1.54 0.568 0 C-N-CA 127.552 2.341 . . . . 10.0 112.018 176.328 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 64.0 mttp -66.24 -59.92 3.28 Favored 'General case' 0 N--CA 1.475 0.821 0 C-N-CA 126.519 1.927 . . . . 10.0 112.148 178.658 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 62.9 tp -53.16 -42.06 65.77 Favored 'General case' 0 N--CA 1.476 0.834 0 C-N-CA 125.091 1.356 . . . . 10.0 112.006 176.238 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 81' ' ' HIS . . . . . . . . . . . . . 13.6 t-160 -46.58 -48.17 19.64 Favored 'General case' 0 N--CA 1.468 0.454 0 C-N-CA 124.798 1.239 . . . . 10.0 111.839 179.632 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 82' ' ' GLN . . . . . . . . . . . . . 70.2 mm-40 -52.35 -52.09 55.25 Favored 'General case' 0 N--CA 1.47 0.564 0 C-N-CA 124.355 1.062 . . . . 10.0 112.825 -177.72 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 83' ' ' ARG . . . . . . . . . . . . . 16.4 mmp_? -55.03 -53.46 55.5 Favored 'General case' 0 N--CA 1.478 0.951 0 C-N-CA 124.799 1.239 . . . . 10.0 111.836 -179.991 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 84' ' ' VAL . . . . . . . . . . . . . 18.3 t -59.8 -53.49 47.78 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.769 0 C-N-CA 126.217 1.807 . . . . 10.0 110.722 177.813 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 85' ' ' LEU . . . . . . . . . . . . . 48.4 tp -55.73 -50.5 70.18 Favored 'General case' 0 CA--C 1.535 0.367 0 C-N-CA 127.145 2.178 . . . . 10.0 112.54 179.94 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 86' ' ' TRP . . . . . . . . . . . . . 56.0 m95 -60.73 -43.52 97.8 Favored 'General case' 0 N--CA 1.466 0.352 0 N-CA-C 113.567 0.951 . . . . 10.0 113.567 175.944 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 87' ' ' ARG . . . . . . . . . . . . . 13.8 tpt180 -56.29 -48.52 76.47 Favored 'General case' 0 N--CA 1.473 0.715 0 CA-C-N 118.897 0.771 . . . . 10.0 111.384 170.807 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 88' ' ' LEU . . . . . . . . . . . . . 1.7 tt -56.72 -53.0 62.78 Favored 'General case' 0 CA--C 1.544 0.743 0 C-N-CA 124.474 1.11 . . . . 10.0 111.846 176.142 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 89' ' ' ILE . . . . . . . . . . . . . 76.8 mt -50.66 -52.73 15.47 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.75 0 C-N-CA 124.846 1.258 . . . . 10.0 110.795 174.343 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 61.9 mtpt -57.19 -44.62 83.79 Favored 'General case' 0 N--CA 1.472 0.658 0 C-N-CA 124.379 1.072 . . . . 10.0 113.02 174.978 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 6.2 tp10 -55.62 -48.6 74.66 Favored 'General case' 0 CA--C 1.547 0.839 0 C-N-CA 125.062 1.345 . . . . 10.0 112.139 174.403 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 92' ' ' ILE . . . . . . . . . . . . . 96.1 mt -58.37 -54.01 38.58 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.863 0 C-N-CA 125.062 1.345 . . . . 10.0 111.118 172.077 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 93' ' ' CYS . . . . . . . . . . . . . 96.3 m -55.53 -43.08 75.42 Favored 'General case' 0 CA--C 1.546 0.803 0 C-N-CA 123.929 0.892 . . . . 10.0 112.655 178.41 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 67.5 m -58.58 -34.87 71.57 Favored 'General case' 0 N--CA 1.477 0.893 0 C-N-CA 126.326 1.85 . . . . 10.0 113.732 176.822 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . -67.91 -27.64 66.82 Favored 'General case' 0 CA--C 1.547 0.853 0 C-N-CA 124.437 1.095 . . . . 10.0 113.868 177.828 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 96' ' ' LYS . . . . . . . . . . . . . 42.1 mttm -63.85 127.62 32.17 Favored 'General case' 0 N--CA 1.477 0.915 0 C-N-CA 125.364 1.466 . . . . 10.0 112.252 -174.71 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 97' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -131.49 148.2 52.61 Favored 'General case' 0 CA--C 1.537 0.478 0 C-N-CA 126.249 1.82 . . . . 10.0 114.409 -172.035 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 98' ' ' CYS . . . . . . . . . . . . . 56.0 m -109.45 137.86 46.68 Favored 'General case' 0 CA--C 1.538 0.504 0 C-N-CA 124.958 1.303 . . . . 10.0 111.821 177.828 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 99' ' ' ASP . . . . . . . . . . . . . 31.4 t70 -60.72 -41.58 95.56 Favored 'General case' 0 N--CA 1.474 0.735 0 C-N-CA 124.556 1.142 . . . . 10.0 112.989 179.643 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 100' ' ' PHE . . . . . . . . . . . . . 6.3 p90 -70.49 -12.03 61.31 Favored 'General case' 0 CA--C 1.545 0.758 0 N-CA-C 115.4 1.629 . . . . 10.0 115.4 -178.704 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 101' ' ' TRP . . . . . . . . . . . . . 6.5 m0 -61.38 152.31 29.96 Favored 'General case' 0 CA--C 1.541 0.604 0 N-CA-C 115.702 1.741 . . . . 10.0 115.702 -169.755 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 102' ' ' LEU . . . . . . . . . . . . . 3.6 mp -124.18 -162.77 1.09 Allowed 'General case' 0 CA--C 1.544 0.73 0 C-N-CA 128.432 2.693 . . . . 10.0 108.512 170.22 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 13.0 pt-20 -48.67 -33.73 10.55 Favored 'General case' 0 N--CA 1.479 1.004 0 N-CA-C 115.858 1.799 . . . . 10.0 115.858 -176.511 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 104' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -65.17 -12.26 49.22 Favored 'General case' 0 N--CA 1.483 1.199 0 N-CA-C 115.337 1.606 . . . . 10.0 115.337 174.973 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 105' ' ' GLY . . . . . . . . . . . . . . . -134.46 -55.6 0.07 OUTLIER Glycine 0 CA--C 1.531 1.091 0 C-N-CA 126.005 1.764 . . . . 10.0 113.847 -171.671 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 106' ' ' ALA . . . . . . . . . . . . . . . -67.18 92.64 0.27 Allowed 'General case' 0 CA--C 1.548 0.889 0 C-N-CA 125.253 1.421 . . . . 10.0 112.639 -175.748 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 107' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.252 1.236 0 C-N-CA 127.682 2.393 . . . . 10.0 111.255 176.034 . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' A' A ' 1' ' ' ARG . . . . . . . . . . . . . 73.7 mtt85 . . . . . 0 N--CA 1.49 1.566 0 N-CA-C 110.372 -0.233 . . . . 10.0 110.372 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' A' A ' 2' ' ' VAL . . . . . . . . . . . . . 59.8 t -67.27 129.67 32.01 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.053 0 C-N-CA 124.345 1.058 . . . . 10.0 109.937 173.078 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -141.72 94.77 2.72 Favored 'General case' 0 CA--C 1.542 0.636 0 C-N-CA 124.929 1.292 . . . . 10.0 110.792 178.744 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 38.9 mm-40 -118.77 -1.82 11.02 Favored 'General case' 0 N--CA 1.477 0.923 0 C-N-CA 125.277 1.431 . . . . 10.0 113.247 -176.077 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 5' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -126.5 60.1 1.34 Allowed 'General case' 0 CA--C 1.546 0.817 0 C-N-CA 126.22 1.808 . . . . 10.0 109.269 173.852 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 70.7 mtt180 -78.21 154.93 79.77 Favored Pre-proline 0 N--CA 1.477 0.92 0 C-N-CA 126.758 2.023 . . . . 10.0 110.939 -179.555 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 7' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_exo -51.38 121.11 7.86 Favored 'Trans proline' 0 CA--C 1.541 0.832 0 C-N-CA 122.4 2.067 . . . . 10.0 110.215 169.092 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . 111.92 -16.83 25.37 Favored Glycine 0 CA--C 1.539 1.533 0 C-N-CA 126.464 1.983 . . . . 10.0 114.178 -169.708 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -59.8 134.0 56.62 Favored 'General case' 0 CA--C 1.543 0.701 0 CA-C-N 119.739 1.77 . . . . 10.0 113.492 -172.37 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 10' ' ' PHE . . . . . . . . . . . . . 14.2 m-30 -58.79 144.68 43.24 Favored 'General case' 0 CA--C 1.539 0.556 0 C-N-CA 125.279 1.431 . . . . 10.0 112.506 172.464 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 50.0 mt -123.39 111.42 29.33 Favored 'Isoleucine or valine' 0 C--O 1.237 0.424 0 N-CA-C 106.859 -1.534 . . . . 10.0 106.859 169.445 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 81.4 mttt -104.92 84.97 2.21 Favored 'General case' 0 N--CA 1.471 0.625 0 C-N-CA 125.713 1.605 . . . . 10.0 109.501 178.947 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 36.0 mt-30 -75.04 -40.13 60.58 Favored 'General case' 0 CA--C 1.539 0.532 0 C-N-CA 124.736 1.215 . . . . 10.0 110.365 171.642 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . 101.16 65.73 0.79 Allowed Glycine 0 CA--C 1.528 0.862 0 C-N-CA 125.917 1.723 . . . . 10.0 110.675 -179.578 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 19.9 ttp85 -133.51 111.94 11.11 Favored 'General case' 0 N--CA 1.469 0.504 0 C-N-CA 126.637 1.975 . . . . 10.0 110.533 -169.738 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 80.4 tttt -73.11 104.31 4.14 Favored 'General case' 0 N--CA 1.473 0.687 0 C-N-CA 125.849 1.659 . . . . 10.0 110.752 179.865 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 79.2 mt -77.35 177.27 8.08 Favored 'General case' 0 CA--C 1.546 0.81 0 C-N-CA 125.208 1.403 . . . . 10.0 112.3 179.676 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 19.2 t0 -128.18 100.12 5.72 Favored 'General case' 0 CA--C 1.541 0.634 0 C-N-CA 125.855 1.662 . . . . 10.0 110.241 176.049 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . 87.3 mt -137.27 129.71 42.94 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.709 0 C-N-CA 126.968 2.107 . . . . 10.0 108.346 -173.357 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 24.3 t0 -89.46 83.67 6.37 Favored 'General case' 0 CA--C 1.54 0.571 0 CA-C-O 122.001 0.905 . . . . 10.0 111.017 172.952 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 21' ' ' PHE . . . . . . . . . . . . . 81.6 m-85 -62.96 -45.36 92.81 Favored 'General case' 0 CA--C 1.539 0.549 0 C-N-CA 126.996 2.118 . . . . 10.0 111.466 169.901 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 137.05 157.34 7.61 Favored Glycine 0 CA--C 1.534 1.249 0 C-N-CA 128.24 2.829 . . . . 10.0 110.008 -169.629 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -41.03 -54.03 2.88 Favored 'General case' 0 CA--C 1.547 0.832 0 N-CA-C 116.3 1.963 . . . . 10.0 116.3 -169.531 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 5.3 tp10 -69.35 -47.98 62.72 Favored 'General case' 0 CA--C 1.544 0.72 0 C-N-CA 124.125 0.97 . . . . 10.0 112.282 179.299 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -62.16 -38.22 95.81 Favored Glycine 0 CA--C 1.534 1.252 0 C-N-CA 124.722 1.154 . . . . 10.0 113.852 178.209 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 79.5 m-20 -56.43 -52.49 64.48 Favored 'General case' 0 CA--C 1.534 0.338 0 C-N-CA 126.096 1.758 . . . . 10.0 110.181 173.027 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 75.7 mtt85 -59.24 -47.27 85.99 Favored 'General case' 0 N--CA 1.476 0.837 0 C-N-CA 124.512 1.125 . . . . 10.0 111.485 176.415 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 28' ' ' TYR . . . . . . . . . . . . . 77.0 t80 -58.55 -53.38 58.94 Favored 'General case' 0 CA--C 1.537 0.468 0 C-N-CA 124.349 1.06 . . . . 10.0 112.508 179.018 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 29' ' ' TYR . . . . . . . . . . . . . 82.7 t80 -57.28 -52.27 66.02 Favored 'General case' 0 CA--C 1.537 0.45 0 C-N-CA 123.764 0.826 . . . . 10.0 111.848 174.293 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -52.77 -37.25 59.31 Favored 'General case' 0 CA--C 1.545 0.774 0 N-CA-C 113.557 0.947 . . . . 10.0 113.557 179.328 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -80.16 -31.13 38.94 Favored 'General case' 0 CA--C 1.55 0.968 0 N-CA-C 114.962 1.468 . . . . 10.0 114.962 175.111 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 32' ' ' ASN . . . . . . . . . . . . . 48.7 m-80 -125.42 16.61 8.27 Favored 'General case' 0 CA--C 1.548 0.896 0 N-CA-C 116.488 2.032 . . . . 10.0 116.488 -169.059 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 33' ' ' TYR . . . . . . . . . . . . . 51.6 p90 -50.36 -32.12 16.53 Favored 'General case' 0 N--CA 1.476 0.856 0 C-N-CA 126.093 1.757 . . . . 10.0 114.639 -176.444 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 34' ' ' TRP . . . . . . . . . . . . . 65.7 p-90 -51.51 -33.97 33.97 Favored 'General case' 0 CA--C 1.545 0.768 0 C-N-CA 126.375 1.87 . . . . 10.0 114.219 174.844 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 31.6 mt-30 -65.62 -45.26 83.77 Favored 'General case' 0 N--CA 1.472 0.645 0 C-N-CA 124.45 1.1 . . . . 10.0 112.645 175.793 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 36' ' ' PHE . . . . . . . . . . . . . 56.0 m-85 -72.77 153.91 91.27 Favored Pre-proline 0 CA--C 1.544 0.718 0 C-N-CA 126.775 2.03 . . . . 10.0 112.922 -171.868 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 93.9 Cg_endo -72.37 157.49 53.18 Favored 'Trans proline' 0 CA--C 1.541 0.87 0 C-N-CA 122.209 1.939 . . . . 10.0 109.107 168.485 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 3.8 p30 -118.16 -25.43 6.65 Favored 'General case' 0 N--CA 1.474 0.757 0 O-C-N 121.199 -0.938 . . . . 10.0 111.911 171.016 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . -119.42 160.28 14.41 Favored Glycine 0 CA--C 1.536 1.389 0 C-N-CA 125.633 1.587 . . . . 10.0 110.096 168.42 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 40' ' ' ILE . . . . . . . . . . . . . 91.1 mt -134.75 122.98 40.32 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.756 0 C-N-CA 124.356 1.062 . . . . 10.0 108.512 172.76 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 41' ' ' TYR . . . . . . . . . . . . . 91.5 t80 -73.83 102.01 3.92 Favored 'General case' 0 CA--C 1.536 0.424 0 C-N-CA 124.975 1.31 . . . . 10.0 109.913 174.111 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 42' ' ' TYR . . . . . . . . . . . . . 85.7 t80 -153.18 137.74 16.83 Favored 'General case' 0 CA--C 1.538 0.494 0 C-N-CA 124.085 0.954 . . . . 10.0 111.056 177.688 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 46.1 mt-10 -132.53 64.17 1.61 Allowed 'General case' 0 N--CA 1.474 0.759 0 C-N-CA 125.397 1.479 . . . . 10.0 110.944 -173.528 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . -67.2 -52.33 32.64 Favored Glycine 0 CA--C 1.533 1.172 0 C-N-CA 125.157 1.36 . . . . 10.0 113.934 -178.558 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 45' ' ' CYS . . . . . . . . . . . . . 28.5 m -60.54 135.67 57.82 Favored 'General case' 0 CA--C 1.541 0.597 0 C-N-CA 125.323 1.449 . . . . 10.0 114.015 -175.139 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 25.8 t -148.02 -51.4 0.18 Allowed 'General case' 0 N--CA 1.472 0.629 0 C-N-CA 126.557 1.943 . . . . 10.0 110.961 178.291 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 10.5 pt-20 -139.6 163.04 33.62 Favored 'General case' 0 CA--C 1.542 0.637 0 C-N-CA 126.425 1.89 . . . . 10.0 111.971 179.032 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -51.38 -28.46 12.64 Favored 'General case' 0 CA--C 1.547 0.832 0 C-N-CA 126.498 1.919 . . . . 10.0 115.813 -174.237 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 69.8 m-80 -60.14 -28.52 67.95 Favored 'General case' 0 CA--C 1.545 0.785 0 C-N-CA 124.599 1.16 . . . . 10.0 113.281 173.896 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . 46.4 t -78.14 91.96 1.29 Allowed 'Isoleucine or valine' 0 N--CA 1.472 0.638 0 C-N-CA 124.521 1.128 . . . . 10.0 108.863 169.811 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 67.8 p -78.63 -179.99 6.78 Favored 'General case' 0 N--CA 1.476 0.838 0 C-N-CA 125.593 1.557 . . . . 10.0 112.064 175.293 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 86.0 tttt -59.95 -55.79 29.73 Favored 'General case' 0 N--CA 1.473 0.676 0 O-C-N 121.122 -0.986 . . . . 10.0 111.733 169.982 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 12.3 pt-20 -53.38 -38.88 63.78 Favored 'General case' 0 N--CA 1.474 0.768 0 CA-C-N 118.72 0.691 . . . . 10.0 112.705 178.868 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 54' ' ' MET . . . . . . . . . . . . . 85.3 mmm -59.23 -58.01 10.5 Favored 'General case' 0 CA--C 1.538 0.484 0 C-N-CA 124.099 0.96 . . . . 10.0 111.573 169.506 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 6.9 tt -54.48 -56.7 16.07 Favored 'General case' 0 CA--C 1.536 0.441 0 C-N-CA 124.499 1.12 . . . . 10.0 113.049 -178.955 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 22.5 t -60.21 -51.0 78.0 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.902 0 C-N-CA 123.743 0.817 . . . . 10.0 110.555 -173.911 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 57' ' ' THR . . . . . . . . . . . . . 28.5 m -60.85 -51.72 68.1 Favored 'General case' 0 N--CA 1.475 0.816 0 C-N-CA 124.346 1.058 . . . . 10.0 111.791 179.205 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 8.3 t -61.16 -40.78 95.16 Favored 'General case' 0 N--CA 1.47 0.53 0 C-N-CA 123.672 0.789 . . . . 10.0 112.23 178.638 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 59' ' ' CYS . . . . . . . . . . . . . 21.1 t -55.73 -53.6 54.63 Favored 'General case' 0 CA--C 1.534 0.337 0 C-N-CA 124.615 1.166 . . . . 10.0 112.85 169.955 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 60' ' ' VAL . . . . . . . . . . . . . 39.6 t -55.94 -39.72 58.84 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.852 0 C-N-CA 124.394 1.078 . . . . 10.0 111.811 177.266 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 61' ' ' ASN . . . . . . . . . . . . . 17.4 m-80 -63.85 -49.42 72.85 Favored 'General case' 0 CA--C 1.545 0.771 0 C-N-CA 124.766 1.226 . . . . 10.0 113.096 170.479 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -60.08 -42.37 94.43 Favored 'General case' 0 CA--C 1.543 0.689 0 C-N-CA 124.927 1.291 . . . . 10.0 112.106 178.039 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 63' ' ' THR . . . . . . . . . . . . . 61.3 m -54.86 -48.53 72.79 Favored 'General case' 0 N--CA 1.471 0.594 0 C-N-CA 126.349 1.86 . . . . 10.0 111.732 176.176 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 64' ' ' GLN . . . . . . . . . . . . . 48.8 mt-30 -51.43 -56.57 12.53 Favored 'General case' 0 N--CA 1.47 0.57 0 C-N-CA 124.278 1.031 . . . . 10.0 111.728 173.089 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -58.03 -42.31 85.02 Favored 'General case' 0 CA--C 1.545 0.775 0 C-N-CA 125.785 1.634 . . . . 10.0 113.994 -179.961 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -72.2 -36.79 69.3 Favored 'General case' 0 CA--C 1.545 0.767 0 N-CA-C 114.178 1.177 . . . . 10.0 114.178 -179.654 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 67' ' ' ASN . . . . . . . . . . . . . 8.5 m-80 -117.92 39.07 3.46 Favored 'General case' 0 N--CA 1.475 0.814 0 C-N-CA 124.324 1.05 . . . . 10.0 112.607 -170.689 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 68' ' ' GLN . . . . . . . . . . . . . 63.5 mt-30 -51.52 -46.53 63.3 Favored 'General case' 0 N--CA 1.474 0.775 0 C-N-CA 125.803 1.641 . . . . 10.0 113.141 -177.705 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -54.56 -52.13 63.07 Favored 'General case' 0 CA--C 1.541 0.618 0 C-N-CA 125.036 1.334 . . . . 10.0 112.636 177.996 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 9.9 mm-40 -56.65 -48.41 77.63 Favored 'General case' 0 N--CA 1.472 0.653 0 C-N-CA 124.714 1.206 . . . . 10.0 112.433 -179.837 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 71' ' ' PHE . . . . . . . . . . . . . 34.2 m-85 -61.45 -49.59 76.21 Favored 'General case' 0 CA--C 1.537 0.446 0 C-N-CA 122.898 0.479 . . . . 10.0 112.019 174.247 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 58.9 m -55.36 -47.66 75.42 Favored 'General case' 0 N--CA 1.475 0.797 0 C-N-CA 124.927 1.291 . . . . 10.0 113.213 178.463 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 73' ' ' ARG . . . . . . . . . . . . . 90.7 mtt180 -51.45 -51.86 51.27 Favored 'General case' 0 N--CA 1.477 0.884 0 C-N-CA 126.293 1.837 . . . . 10.0 112.314 176.106 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 46.6 mm-40 -81.04 -62.03 1.78 Allowed 'General case' 0 CA--C 1.54 0.579 0 C-N-CA 124.674 1.19 . . . . 10.0 113.159 -175.2 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 41.4 ttmt -46.35 -40.27 11.64 Favored 'General case' 0 N--CA 1.481 1.079 0 C-N-CA 128.19 2.596 . . . . 10.0 114.96 -170.906 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 76' ' ' GLN . . . . . . . . . . . . . 22.0 mm100 -60.44 -19.36 56.11 Favored 'General case' 0 CA--C 1.546 0.811 0 C-N-CA 124.906 1.282 . . . . 10.0 114.422 179.905 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 31.7 t70 -128.62 -48.31 1.27 Allowed 'General case' 0 N--CA 1.473 0.696 0 C-N-CA 125.683 1.593 . . . . 10.0 112.829 178.752 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 4.4 t -66.6 129.95 41.57 Favored 'General case' 0 CA--C 1.536 0.414 0 C-N-CA 125.719 1.608 . . . . 10.0 113.673 -175.089 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 60.3 tptt -88.65 -62.38 1.5 Allowed 'General case' 0 N--CA 1.474 0.748 0 C-N-CA 125.4 1.48 . . . . 10.0 111.739 173.66 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 49.2 tp -70.84 -44.61 66.11 Favored 'General case' 0 N--CA 1.469 0.496 0 C-N-CA 124.977 1.311 . . . . 10.0 113.404 -174.094 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 81' ' ' HIS . . . . . . . . . . . . . 14.1 t-160 -51.0 -50.62 58.11 Favored 'General case' 0 N--CA 1.475 0.81 0 CA-C-N 119.201 0.909 . . . . 10.0 112.323 -170.604 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 82' ' ' GLN . . . . . . . . . . . . . 92.2 mm-40 -52.61 -48.56 66.24 Favored 'General case' 0 N--CA 1.471 0.6 0 C-N-CA 123.895 0.878 . . . . 10.0 112.85 177.977 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 83' ' ' ARG . . . . . . . . . . . . . 14.2 mmp_? -51.97 -54.73 26.2 Favored 'General case' 0 N--CA 1.481 1.081 0 C-N-CA 124.796 1.238 . . . . 10.0 111.357 178.507 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 84' ' ' VAL . . . . . . . . . . . . . 21.4 t -62.31 -51.44 72.27 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.684 0 C-N-CA 126.482 1.913 . . . . 10.0 110.82 178.345 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 85' ' ' LEU . . . . . . . . . . . . . 50.4 tp -56.82 -46.72 81.48 Favored 'General case' 0 N--CA 1.468 0.463 0 C-N-CA 126.869 2.068 . . . . 10.0 112.919 -179.231 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 86' ' ' TRP . . . . . . . . . . . . . 73.2 m95 -64.93 -43.0 94.21 Favored 'General case' 0 N--CA 1.466 0.337 0 N-CA-C 113.48 0.918 . . . . 10.0 113.48 175.824 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 87' ' ' ARG . . . . . . . . . . . . . 13.6 tpt180 -55.99 -51.97 65.87 Favored 'General case' 0 N--CA 1.474 0.733 0 CA-C-O 118.663 -0.684 . . . . 10.0 110.99 169.832 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 88' ' ' LEU . . . . . . . . . . . . . 1.7 tm? -51.5 -54.49 26.61 Favored 'General case' 0 CA--C 1.544 0.74 0 C-N-CA 126.476 1.911 . . . . 10.0 112.143 175.125 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 89' ' ' ILE . . . . . . . . . . . . . 64.2 mt -53.89 -52.22 37.72 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.841 0 C-N-CA 124.71 1.204 . . . . 10.0 111.16 176.693 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 39.9 ttmt -60.89 -44.45 97.1 Favored 'General case' 0 N--CA 1.469 0.522 0 C-N-CA 123.865 0.866 . . . . 10.0 112.411 177.382 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 8.1 tp10 -54.17 -50.37 67.15 Favored 'General case' 0 CA--C 1.541 0.62 0 C-N-CA 125.269 1.428 . . . . 10.0 111.576 175.112 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 92' ' ' ILE . . . . . . . . . . . . . 96.7 mt -53.35 -58.22 3.5 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.905 0 C-N-CA 124.145 0.978 . . . . 10.0 110.904 171.604 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 93' ' ' CYS . . . . . . . . . . . . 0.307 0.5 OUTLIER -69.39 -28.11 65.89 Favored 'General case' 0 CA--C 1.546 0.823 0 N-CA-C 114.109 1.152 . . . . 10.0 114.109 -172.72 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 23.8 t -68.13 -40.94 82.34 Favored 'General case' 0 N--CA 1.474 0.73 0 C-N-CA 125.897 1.679 . . . . 10.0 112.405 169.368 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . -60.09 -51.36 69.94 Favored 'General case' 0 CA--C 1.542 0.645 0 C-N-CA 124.483 1.113 . . . . 10.0 113.037 179.705 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 96' ' ' LYS . . . . . . . . . . . . . 18.9 ptpt -58.58 137.91 57.18 Favored 'General case' 0 N--CA 1.48 1.052 0 O-C-N 121.449 -0.782 . . . . 10.0 112.64 177.025 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 97' ' ' HIS . . . . . . . . . . . . . 17.7 m80 -130.98 166.65 20.51 Favored 'General case' 0 N--CA 1.478 0.954 0 C-N-CA 126.775 2.03 . . . . 10.0 112.266 -177.566 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 98' ' ' CYS . . . . . . . . . . . . . 50.6 m -126.7 134.25 50.73 Favored 'General case' 0 CA--C 1.539 0.533 0 C-N-CA 125.662 1.585 . . . . 10.0 111.678 -178.016 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 99' ' ' ASP . . . . . . . . . . . . . 11.9 m-20 -57.05 -40.19 76.33 Favored 'General case' 0 N--CA 1.472 0.673 0 C-N-CA 125.524 1.53 . . . . 10.0 113.836 -172.015 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 100' ' ' PHE . . . . . . . . . . . . . 9.7 p90 -72.0 -4.73 30.31 Favored 'General case' 0 CA--C 1.545 0.761 0 N-CA-C 115.038 1.496 . . . . 10.0 115.038 -178.041 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 101' ' ' TRP . . . . . . . . . . . . . 53.2 m0 -67.32 84.31 0.15 Allowed 'General case' 0 N--CA 1.475 0.789 0 CA-C-N 120.183 1.356 . . . . 10.0 112.308 175.538 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 102' ' ' LEU . . . . . 0.429 ' H ' HD23 ' A' ' 102' ' ' LEU . 2.6 pt? -64.76 157.51 27.33 Favored 'General case' 0 CA--C 1.543 0.688 0 C-N-CA 127.763 2.425 . . . . 10.0 113.618 174.89 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 13.1 pt-20 -73.05 -34.84 66.54 Favored 'General case' 0 N--CA 1.473 0.712 0 C-N-CA 124.514 1.126 . . . . 10.0 114.028 179.496 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 104' ' ' ARG . . . . . . . . . . . . . 76.0 mtm180 -71.39 151.56 43.96 Favored 'General case' 0 N--CA 1.476 0.868 0 C-N-CA 124.834 1.254 . . . . 10.0 112.835 -175.777 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 105' ' ' GLY . . . . . . . . . . . . . . . -176.35 -116.47 0.46 Allowed Glycine 0 CA--C 1.533 1.172 0 C-N-CA 125.388 1.471 . . . . 10.0 111.966 179.779 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 106' ' ' ALA . . . . . . . . . . . . . . . -142.46 159.22 42.66 Favored 'General case' 0 CA--C 1.546 0.817 0 C-N-CA 125.665 1.586 . . . . 10.0 112.179 178.346 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 107' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.253 1.264 0 C-N-CA 126.768 2.027 . . . . 10.0 111.858 -179.679 . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' A' A ' 1' ' ' ARG . . . . . . . . . . . . . 53.4 ttt85 . . . . . 0 N--CA 1.49 1.537 0 CA-C-O 119.187 -0.435 . . . . 10.0 111.358 . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' A' A ' 2' ' ' VAL . . . . . . . . . . . . . 57.0 t -64.69 141.53 18.1 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.134 0 C-N-CA 125.231 1.413 . . . . 10.0 110.827 -179.048 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -67.54 168.97 10.0 Favored 'General case' 0 CA--C 1.548 0.893 0 C-N-CA 124.942 1.297 . . . . 10.0 113.823 -178.334 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 90.0 mt-10 -64.58 124.06 20.9 Favored 'General case' 0 N--CA 1.471 0.585 0 C-N-CA 124.152 0.981 . . . . 10.0 108.885 169.768 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 5' ' ' ASN . . . . . . . . . . . . . 1.3 t30 -74.26 76.36 1.83 Allowed 'General case' 0 CA--C 1.55 0.972 0 C-N-CA 123.58 0.752 . . . . 10.0 112.593 -172.034 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 9.6 ptp180 -121.91 151.64 58.22 Favored Pre-proline 0 N--CA 1.478 0.933 0 C-N-CA 127.921 2.488 . . . . 10.0 110.77 172.772 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 7' ' ' PRO . . . . . . . . . . . . . 80.8 Cg_exo -47.4 114.53 1.05 Allowed 'Trans proline' 0 CA--C 1.541 0.85 0 C-N-CA 123.761 2.974 . . . . 10.0 113.868 -175.066 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . 114.6 -18.64 17.23 Favored Glycine 0 CA--C 1.539 1.537 0 C-N-CA 127.132 2.301 . . . . 10.0 114.42 -171.957 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -57.34 132.87 54.38 Favored 'General case' 0 CA--C 1.543 0.674 0 N-CA-C 115.495 1.665 . . . . 10.0 115.495 -169.603 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 10' ' ' PHE . . . . . . . . . . . . . 7.4 m-30 -58.38 134.19 56.4 Favored 'General case' 0 CA--C 1.541 0.615 0 C-N-CA 126.246 1.819 . . . . 10.0 112.489 170.216 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 61.7 mt -116.06 99.07 7.64 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.508 0 N-CA-C 106.741 -1.577 . . . . 10.0 106.741 169.618 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 53.8 mtmt -101.77 73.52 1.43 Allowed 'General case' 0 N--CA 1.472 0.652 0 C-N-CA 126.857 2.063 . . . . 10.0 110.074 -176.413 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 86.6 mm-40 -71.39 -45.32 63.08 Favored 'General case' 0 CA--C 1.54 0.559 0 C-N-CA 124.081 0.953 . . . . 10.0 110.395 170.643 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . 105.51 70.12 0.77 Allowed Glycine 0 CA--C 1.53 0.978 0 C-N-CA 126.024 1.773 . . . . 10.0 111.309 178.759 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 10.3 ttp180 -137.03 117.96 14.22 Favored 'General case' 0 N--CA 1.472 0.665 0 C-N-CA 126.97 2.108 . . . . 10.0 110.436 -169.819 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 44.8 tttm -69.66 139.53 53.53 Favored 'General case' 0 N--CA 1.474 0.731 0 C-N-CA 124.439 1.096 . . . . 10.0 111.769 179.609 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 61.2 mt -111.96 -179.74 3.77 Favored 'General case' 0 CA--C 1.546 0.798 0 C-N-CA 127.769 2.428 . . . . 10.0 111.651 174.506 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 20.9 t70 -126.13 99.61 5.97 Favored 'General case' 0 CA--C 1.542 0.646 0 C-N-CA 125.533 1.533 . . . . 10.0 110.569 175.065 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . 69.5 mt -136.3 130.86 48.15 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.727 0 C-N-CA 127.415 2.286 . . . . 10.0 108.143 -175.731 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 23.9 t0 -89.83 85.02 6.29 Favored 'General case' 0 N--CA 1.47 0.535 0 CA-C-O 122.075 0.94 . . . . 10.0 110.921 172.305 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 21' ' ' PHE . . . . . . . . . . . . . 82.8 m-85 -63.81 -44.36 93.53 Favored 'General case' 0 CA--C 1.54 0.561 0 C-N-CA 126.935 2.094 . . . . 10.0 111.73 170.335 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 133.52 160.46 9.4 Favored Glycine 0 CA--C 1.533 1.202 0 C-N-CA 127.989 2.709 . . . . 10.0 109.963 -169.517 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -42.15 -56.31 2.92 Favored 'General case' 0 CA--C 1.547 0.83 0 N-CA-C 115.432 1.642 . . . . 10.0 115.432 -169.727 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 26.0 mm-40 -63.89 -49.56 72.21 Favored 'General case' 0 N--CA 1.472 0.664 0 C-N-CA 124.185 0.994 . . . . 10.0 112.132 178.811 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -64.67 -38.04 95.15 Favored Glycine 0 CA--C 1.533 1.159 0 C-N-CA 124.621 1.105 . . . . 10.0 114.143 -178.967 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 84.2 m-20 -57.27 -53.72 54.93 Favored 'General case' 0 CA--C 1.533 0.32 0 C-N-CA 126.048 1.739 . . . . 10.0 110.145 173.86 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 94.2 mtt-85 -58.32 -47.68 82.94 Favored 'General case' 0 N--CA 1.474 0.745 0 C-N-CA 124.949 1.3 . . . . 10.0 111.458 175.861 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 28' ' ' TYR . . . . . . . . . . . . . 78.1 t80 -58.47 -54.63 44.83 Favored 'General case' 0 CA--C 1.536 0.44 0 C-N-CA 124.364 1.066 . . . . 10.0 112.363 178.89 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 29' ' ' TYR . . . . . . . . . . . . . 86.7 t80 -57.26 -50.63 72.28 Favored 'General case' 0 CA--C 1.538 0.489 0 C-N-CA 124.3 1.04 . . . . 10.0 112.221 176.047 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -52.07 -38.77 58.28 Favored 'General case' 0 CA--C 1.546 0.801 0 N-CA-C 113.461 0.911 . . . . 10.0 113.461 177.238 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -81.76 -25.78 35.03 Favored 'General case' 0 CA--C 1.55 0.949 0 N-CA-C 115.063 1.505 . . . . 10.0 115.063 176.107 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 32' ' ' ASN . . . . . . . . . . . . . 57.7 m-80 -126.65 11.47 7.3 Favored 'General case' 0 CA--C 1.548 0.866 0 N-CA-C 116.8 2.148 . . . . 10.0 116.8 -169.081 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 33' ' ' TYR . . . . . . . . . . . . . 41.6 p90 -51.04 -29.06 11.65 Favored 'General case' 0 N--CA 1.478 0.956 0 C-N-CA 125.285 1.434 . . . . 10.0 114.724 -177.62 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 34' ' ' TRP . . . . . . . . . . . . . 64.1 p-90 -52.37 -29.8 25.77 Favored 'General case' 0 CA--C 1.544 0.722 0 C-N-CA 126.109 1.763 . . . . 10.0 114.477 173.4 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 30.7 mt-30 -74.12 -39.78 63.12 Favored 'General case' 0 N--CA 1.473 0.695 0 C-N-CA 124.646 1.179 . . . . 10.0 113.351 174.681 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 36' ' ' PHE . . . . . . . . . . . . . 58.2 m-85 -70.83 149.66 95.11 Favored Pre-proline 0 CA--C 1.545 0.766 0 C-N-CA 125.687 1.595 . . . . 10.0 113.615 -169.552 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 84.2 Cg_endo -73.51 100.18 1.22 Allowed 'Trans proline' 0 CA--C 1.535 0.556 0 C-N-CA 123.772 2.981 . . . . 10.0 110.35 170.233 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 4.5 p30 -68.41 -20.02 64.63 Favored 'General case' 0 CA--C 1.545 0.778 0 O-C-N 121.02 -1.05 . . . . 10.0 112.955 177.391 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . -129.71 161.02 22.89 Favored Glycine 0 CA--C 1.535 1.302 0 C-N-CA 125.945 1.736 . . . . 10.0 110.764 169.045 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 40' ' ' ILE . . . . . . . . . . . . . 79.3 mt -136.95 122.72 27.13 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.8 0 C-N-CA 124.139 0.976 . . . . 10.0 109.333 174.328 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 41' ' ' TYR . . . . . . . . . . . . . 82.6 t80 -72.82 100.43 2.88 Favored 'General case' 0 CA--C 1.537 0.471 0 C-N-CA 124.365 1.066 . . . . 10.0 110.129 172.242 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 42' ' ' TYR . . . . . . . . . . . . . 83.2 t80 -156.29 136.59 12.99 Favored 'General case' 0 N--CA 1.467 0.406 0 C-N-CA 124.481 1.112 . . . . 10.0 110.888 172.84 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 43.9 mt-10 -134.5 77.91 1.72 Allowed 'General case' 0 CA--C 1.54 0.581 0 C-N-CA 126.095 1.758 . . . . 10.0 110.302 -175.497 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . -72.44 -28.59 67.45 Favored Glycine 0 CA--C 1.536 1.375 0 C-N-CA 124.902 1.239 . . . . 10.0 114.772 -176.592 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 45' ' ' CYS . . . . . . . . . . . . . 63.2 m -53.45 116.37 2.42 Favored 'General case' 0 CA--C 1.543 0.692 0 C-N-CA 126.437 1.895 . . . . 10.0 113.39 -175.015 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 51.4 m -132.26 -61.9 0.85 Allowed 'General case' 0 N--CA 1.475 0.781 0 C-N-CA 125.801 1.64 . . . . 10.0 111.788 -179.418 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 10.6 pt-20 -152.6 164.77 37.02 Favored 'General case' 0 N--CA 1.473 0.689 0 C-N-CA 126.328 1.851 . . . . 10.0 111.462 -179.36 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -51.66 -29.96 19.96 Favored 'General case' 0 CA--C 1.547 0.856 0 N-CA-C 115.67 1.73 . . . . 10.0 115.67 -175.781 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 70.6 m-20 -59.21 -30.74 68.45 Favored 'General case' 0 CA--C 1.546 0.795 0 C-N-CA 124.398 1.079 . . . . 10.0 113.059 173.594 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . 61.1 t -75.91 91.6 0.87 Allowed 'Isoleucine or valine' 0 N--CA 1.472 0.653 0 N-CA-C 107.886 -1.153 . . . . 10.0 107.886 169.423 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 69.4 p -72.29 177.86 4.27 Favored 'General case' 0 N--CA 1.474 0.756 0 C-N-CA 125.087 1.355 . . . . 10.0 111.956 173.897 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 60.4 tttm -59.29 -52.98 63.32 Favored 'General case' 0 N--CA 1.472 0.665 0 O-C-N 121.161 -0.962 . . . . 10.0 111.15 169.568 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 45.0 mt-10 -51.24 -47.11 62.48 Favored 'General case' 0 N--CA 1.474 0.771 0 C-N-CA 124.117 0.967 . . . . 10.0 112.258 176.677 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 54' ' ' MET . . . . . . . . . . . . . 87.4 mmm -54.97 -55.02 35.37 Favored 'General case' 0 N--CA 1.468 0.431 0 C-N-CA 124.239 1.015 . . . . 10.0 112.391 170.522 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 8.6 tt -58.92 -51.55 69.58 Favored 'General case' 0 CA--C 1.534 0.346 0 C-N-CA 123.73 0.812 . . . . 10.0 112.913 -178.202 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 21.8 t -57.71 -48.31 83.76 Favored 'Isoleucine or valine' 0 N--CA 1.479 0.994 0 CA-C-N 119.62 1.1 . . . . 10.0 110.897 -179.486 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 57' ' ' THR . . . . . . . . . . . . . 56.7 m -57.93 -51.23 70.49 Favored 'General case' 0 N--CA 1.476 0.855 0 C-N-CA 124.38 1.072 . . . . 10.0 111.763 175.097 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 45.0 m -60.62 -40.79 93.2 Favored 'General case' 0 N--CA 1.472 0.673 0 C-N-CA 124.573 1.149 . . . . 10.0 112.421 178.612 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 59' ' ' CYS . . . . . . . . . . . . . 40.9 t -59.22 -50.43 74.06 Favored 'General case' 0 CA--C 1.534 0.359 0 C-N-CA 126.201 1.8 . . . . 10.0 112.362 173.501 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 60' ' ' VAL . . . . . . . . . . . . . 43.1 t -54.59 -48.25 71.13 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.966 0 C-N-CA 124.153 0.981 . . . . 10.0 111.523 172.224 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 61' ' ' ASN . . . . . . . . . . . . . 16.7 m-80 -58.98 -46.49 87.99 Favored 'General case' 0 CA--C 1.546 0.79 0 C-N-CA 124.652 1.181 . . . . 10.0 113.176 175.069 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -60.43 -47.01 87.97 Favored 'General case' 0 CA--C 1.539 0.526 0 C-N-CA 124.238 1.015 . . . . 10.0 111.26 174.84 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 63' ' ' THR . . . . . . . . . . . . . 38.4 m -55.56 -47.81 75.78 Favored 'General case' 0 N--CA 1.471 0.598 0 C-N-CA 125.676 1.59 . . . . 10.0 111.709 177.002 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 64' ' ' GLN . . . . . . . . . . . . . 62.9 mt-30 -49.84 -59.63 3.66 Favored 'General case' 0 N--CA 1.469 0.513 0 C-N-CA 124.362 1.065 . . . . 10.0 112.052 170.966 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -56.99 -45.79 82.7 Favored 'General case' 0 CA--C 1.544 0.75 0 C-N-CA 125.551 1.54 . . . . 10.0 113.787 -178.799 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -68.35 -35.67 78.09 Favored 'General case' 0 CA--C 1.544 0.722 0 C-N-CA 125.172 1.389 . . . . 10.0 114.257 -179.002 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 67' ' ' ASN . . . . . . . . . . . . . 12.8 m-80 -121.31 39.25 3.88 Favored 'General case' 0 N--CA 1.474 0.746 0 C-N-CA 124.26 1.024 . . . . 10.0 113.074 -169.715 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 68' ' ' GLN . . . . . . . . . . . . . 64.2 mt-30 -52.18 -50.42 61.88 Favored 'General case' 0 N--CA 1.473 0.716 0 C-N-CA 125.248 1.419 . . . . 10.0 112.624 -178.987 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -56.31 -43.32 78.85 Favored 'General case' 0 CA--C 1.544 0.738 0 C-N-CA 125.115 1.366 . . . . 10.0 113.362 178.316 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 23.0 mm-40 -57.34 -51.16 70.49 Favored 'General case' 0 N--CA 1.471 0.603 0 C-N-CA 125.361 1.465 . . . . 10.0 111.735 178.906 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 71' ' ' PHE . . . . . . . . . . . . . 34.5 m-85 -64.19 -49.76 70.76 Favored 'General case' 0 CA--C 1.536 0.436 0 C-N-CA 124.203 1.001 . . . . 10.0 112.219 174.448 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 71.6 m -52.84 -55.11 25.47 Favored 'General case' 0 N--CA 1.472 0.63 0 C-N-CA 125.306 1.442 . . . . 10.0 113.558 -173.413 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 73' ' ' ARG . . . . . . . . . . . . . 31.1 ptt-85 -59.52 -45.58 91.32 Favored 'General case' 0 N--CA 1.479 0.994 0 N-CA-C 113.369 0.877 . . . . 10.0 113.369 -177.135 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 33.8 mm-40 -61.09 -54.05 49.48 Favored 'General case' 0 N--CA 1.469 0.52 0 C-N-CA 124.959 1.304 . . . . 10.0 111.68 176.362 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 86.1 tttt -49.53 -28.72 5.83 Favored 'General case' 0 N--CA 1.477 0.9 0 C-N-CA 127.134 2.174 . . . . 10.0 115.053 -178.178 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 76' ' ' GLN . . . . . . . . . . . . . 70.8 mm-40 -56.44 -33.76 66.18 Favored 'General case' 0 N--CA 1.475 0.816 0 N-CA-C 113.783 1.031 . . . . 10.0 113.783 175.6 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 32.0 t70 -132.93 -40.92 0.93 Allowed 'General case' 0 N--CA 1.474 0.727 0 C-N-CA 125.439 1.495 . . . . 10.0 113.521 -171.439 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 4.9 t -64.25 151.12 44.47 Favored 'General case' 0 CA--C 1.536 0.42 0 C-N-CA 125.453 1.501 . . . . 10.0 113.569 -178.476 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 59.3 mtmt -120.73 -67.69 0.96 Allowed 'General case' 0 N--CA 1.474 0.76 0 C-N-CA 126.138 1.775 . . . . 10.0 110.564 171.209 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 48.5 tp -60.41 -45.37 93.84 Favored 'General case' 0 CA--C 1.537 0.474 0 C-N-CA 125.331 1.453 . . . . 10.0 113.308 -176.561 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 81' ' ' HIS . . . . . . . . . . . . . 14.7 t-160 -51.12 -50.73 58.26 Favored 'General case' 0 N--CA 1.474 0.771 0 CA-C-N 119.168 0.894 . . . . 10.0 111.662 -173.947 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 82' ' ' GLN . . . . . . . . . . . . . 17.9 mm100 -51.52 -50.5 59.87 Favored 'General case' 0 CA--C 1.539 0.545 0 C-N-CA 124.574 1.15 . . . . 10.0 112.609 179.066 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 83' ' ' ARG . . . . . . . . . . . . . 10.4 mpt_? -58.8 -53.87 53.54 Favored 'General case' 0 N--CA 1.48 1.038 0 C-N-CA 124.39 1.076 . . . . 10.0 111.699 179.71 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 84' ' ' VAL . . . . . . . . . . . . . 29.6 t -57.21 -49.78 78.71 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.876 0 C-N-CA 125.2 1.4 . . . . 10.0 110.649 176.981 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 85' ' ' LEU . . . . . . . . . . . . . 45.3 tp -56.75 -47.99 78.83 Favored 'General case' 0 CA--C 1.537 0.468 0 C-N-CA 126.481 1.912 . . . . 10.0 112.646 177.594 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 86' ' ' TRP . . . . . . . . . . . . . 52.5 m95 -61.31 -44.08 97.81 Favored 'General case' 0 N--CA 1.468 0.461 0 N-CA-C 113.787 1.032 . . . . 10.0 113.787 174.919 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 87' ' ' ARG . . . . . . . . . . . . . 14.6 tpt180 -57.18 -51.59 68.7 Favored 'General case' 0 N--CA 1.474 0.768 0 CA-C-N 118.764 0.711 . . . . 10.0 111.565 171.338 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 88' ' ' LEU . . . . . . . . . . . . . 2.3 tm? -51.7 -51.97 51.95 Favored 'General case' 0 CA--C 1.544 0.726 0 C-N-CA 126.299 1.84 . . . . 10.0 111.866 174.906 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 89' ' ' ILE . . . . . . . . . . . . . 65.6 mt -53.34 -53.82 21.68 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.738 0 C-N-CA 124.735 1.214 . . . . 10.0 110.936 172.907 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 36.6 ttpt -57.42 -45.91 84.08 Favored 'General case' 0 N--CA 1.473 0.678 0 C-N-CA 124.426 1.09 . . . . 10.0 113.225 179.762 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 66.8 mm-40 -52.28 -50.79 61.44 Favored 'General case' 0 N--CA 1.472 0.662 0 C-N-CA 124.277 1.031 . . . . 10.0 112.005 172.05 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 92' ' ' ILE . . . . . . . . . . . . . 98.2 mt -60.22 -50.2 81.15 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.96 0 C-N-CA 123.771 0.828 . . . . 10.0 111.71 174.634 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 93' ' ' CYS . . . . . . . . . . . . . 65.1 m -55.71 -39.05 70.53 Favored 'General case' 0 CA--C 1.545 0.762 0 C-N-CA 124.659 1.183 . . . . 10.0 112.603 176.544 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 66.3 m -66.7 -42.09 86.98 Favored 'General case' 0 N--CA 1.475 0.798 0 C-N-CA 125.903 1.681 . . . . 10.0 113.401 171.271 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . -61.27 -47.87 84.01 Favored 'General case' 0 CA--C 1.543 0.691 0 C-N-CA 125.55 1.54 . . . . 10.0 113.357 -176.28 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 96' ' ' LYS . . . . . . . . . . . . . 1.8 ptpm? -60.48 139.49 57.71 Favored 'General case' 0 N--CA 1.48 1.029 0 C-N-CA 123.876 0.87 . . . . 10.0 111.334 171.133 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 97' ' ' HIS . . . . . . . . . . . . . 1.9 m-70 -138.07 165.69 25.96 Favored 'General case' 0 N--CA 1.479 1.024 0 C-N-CA 126.314 1.846 . . . . 10.0 112.364 -172.484 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 98' ' ' CYS . . . . . . . . . . . . . 35.2 m -113.68 137.23 51.9 Favored 'General case' 0 N--CA 1.469 0.496 0 C-N-CA 125.236 1.415 . . . . 10.0 112.041 174.377 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 99' ' ' ASP . . . . . . . . . . . . . 32.5 t70 -61.04 -40.27 92.98 Favored 'General case' 0 CA--C 1.543 0.698 0 C-N-CA 124.999 1.319 . . . . 10.0 113.174 179.664 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 100' ' ' PHE . . . . . . . . . . . . . 8.8 p90 -68.9 -11.93 61.09 Favored 'General case' 0 CA--C 1.544 0.725 0 N-CA-C 115.396 1.628 . . . . 10.0 115.396 -176.418 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 101' ' ' TRP . . . . . . . . . . . . . 38.4 m0 -57.88 127.09 30.32 Favored 'General case' 0 N--CA 1.473 0.707 0 CA-C-N 119.881 1.219 . . . . 10.0 112.766 -178.482 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 102' ' ' LEU . . . . . . . . . . . . . 4.0 pp -146.28 -178.18 6.01 Favored 'General case' 0 CA--C 1.544 0.717 0 C-N-CA 127.231 2.212 . . . . 10.0 112.047 -169.797 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 9.4 tp10 -140.21 147.34 39.91 Favored 'General case' 0 CA--C 1.542 0.671 0 C-N-CA 125.531 1.533 . . . . 10.0 111.002 175.036 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 104' ' ' ARG . . . . . . . . . . . . . 99.9 mtt180 -61.0 -50.58 72.8 Favored 'General case' 0 N--CA 1.477 0.908 0 C-N-CA 125.923 1.689 . . . . 10.0 112.506 -179.282 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 105' ' ' GLY . . . . . . . . . . . . . . . -178.31 173.49 45.92 Favored Glycine 0 CA--C 1.535 1.313 0 C-N-CA 125.814 1.673 . . . . 10.0 112.983 179.499 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 106' ' ' ALA . . . . . . . . . . . . . . . -145.0 155.69 43.52 Favored 'General case' 0 CA--C 1.545 0.777 0 C-N-CA 125.675 1.59 . . . . 10.0 111.916 179.928 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 107' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.254 1.299 0 C-N-CA 126.446 1.898 . . . . 10.0 112.108 179.426 . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' A' A ' 1' ' ' ARG . . . . . . . . . . . . . 43.0 ttp85 . . . . . 0 N--CA 1.489 1.522 0 N-CA-C 110.369 -0.234 . . . . 10.0 110.369 . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' A' A ' 2' ' ' VAL . . . . . . . . . . . . . 7.2 p -53.21 135.99 14.74 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.067 0 C-N-CA 125.198 1.399 . . . . 10.0 112.819 175.107 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -78.28 106.64 10.33 Favored 'General case' 0 CA--C 1.545 0.758 0 C-N-CA 124.203 1.001 . . . . 10.0 110.449 170.027 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 46.7 mt-10 -96.56 -51.16 4.43 Favored 'General case' 0 N--CA 1.475 0.781 0 C-N-CA 125.35 1.46 . . . . 10.0 110.29 175.269 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 5' ' ' ASN . . . . . . . . . . . . . 17.3 t-20 -78.21 80.02 4.64 Favored 'General case' 0 CA--C 1.545 0.787 0 C-N-CA 124.916 1.286 . . . . 10.0 109.545 169.604 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -125.22 159.62 58.77 Favored Pre-proline 0 N--CA 1.477 0.919 0 C-N-CA 127.52 2.328 . . . . 10.0 111.805 178.97 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 7' ' ' PRO . . . . . . . . . . . . . 75.8 Cg_exo -45.01 120.87 3.18 Favored 'Trans proline' 0 CA--C 1.537 0.67 0 C-N-CA 124.015 3.143 . . . . 10.0 113.522 179.162 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . 116.97 -23.49 9.95 Favored Glycine 0 CA--C 1.538 1.512 0 C-N-CA 127.623 2.535 . . . . 10.0 114.122 -170.395 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -60.09 132.59 54.42 Favored 'General case' 0 CA--C 1.546 0.818 0 CA-C-N 119.473 1.637 . . . . 10.0 112.96 -172.27 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 10' ' ' PHE . . . . . . . . . . . . . 23.2 m-85 -61.49 151.45 32.79 Favored 'General case' 0 CA--C 1.542 0.661 0 O-C-N 121.464 -0.773 . . . . 10.0 112.917 175.242 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 70.9 mt -120.52 97.84 5.5 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.492 0 C-N-CA 126.166 1.786 . . . . 10.0 106.304 169.385 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 60.2 mtpt -96.29 84.67 3.79 Favored 'General case' 0 N--CA 1.473 0.709 0 C-N-CA 125.522 1.529 . . . . 10.0 110.542 -172.766 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 26.8 mt-30 -76.65 -26.71 55.15 Favored 'General case' 0 CA--C 1.541 0.601 0 C-N-CA 124.067 0.947 . . . . 10.0 111.652 171.225 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . 80.31 11.58 84.1 Favored Glycine 0 CA--C 1.536 1.399 0 C-N-CA 125.053 1.311 . . . . 10.0 114.16 179.977 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 45.6 ttp180 -69.59 129.85 40.8 Favored 'General case' 0 N--CA 1.47 0.55 0 C-N-CA 127.108 2.163 . . . . 10.0 110.992 177.741 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 53.1 tttm -69.85 120.53 15.73 Favored 'General case' 0 N--CA 1.473 0.678 0 C-N-CA 123.94 0.896 . . . . 10.0 110.64 171.878 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 75.4 mt -90.02 -179.93 5.8 Favored 'General case' 0 CA--C 1.546 0.815 0 C-N-CA 126.425 1.89 . . . . 10.0 111.806 175.478 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 20.2 t0 -132.13 95.33 3.64 Favored 'General case' 0 CA--C 1.541 0.614 0 C-N-CA 125.718 1.607 . . . . 10.0 110.368 175.442 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . 59.3 mt -134.43 132.12 54.85 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.715 0 C-N-CA 127.455 2.302 . . . . 10.0 108.124 -175.06 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 23.6 t0 -89.3 84.45 6.48 Favored 'General case' 0 CA--C 1.539 0.526 0 CA-C-O 121.981 0.896 . . . . 10.0 110.748 172.952 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 21' ' ' PHE . . . . . . . . . . . . . 54.0 m-85 -61.77 -42.64 99.24 Favored 'General case' 0 CA--C 1.541 0.607 0 C-N-CA 126.656 1.982 . . . . 10.0 111.509 171.09 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 132.2 152.37 7.06 Favored Glycine 0 CA--C 1.533 1.166 0 C-N-CA 128.257 2.837 . . . . 10.0 109.61 -169.786 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -41.05 -51.77 3.28 Favored 'General case' 0 CA--C 1.548 0.875 0 N-CA-C 116.071 1.878 . . . . 10.0 116.071 -169.624 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 37.9 tt0 -63.11 -50.3 71.04 Favored 'General case' 0 N--CA 1.475 0.811 0 C-N-CA 125.237 1.415 . . . . 10.0 112.802 176.758 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -66.27 -37.06 92.56 Favored Glycine 0 CA--C 1.535 1.3 0 C-N-CA 124.867 1.223 . . . . 10.0 114.262 178.451 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 83.9 m-20 -56.35 -51.29 68.82 Favored 'General case' 0 CA--C 1.536 0.417 0 C-N-CA 126.045 1.738 . . . . 10.0 110.433 174.58 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 87.5 mtm180 -59.93 -44.96 94.04 Favored 'General case' 0 N--CA 1.474 0.734 0 C-N-CA 125.08 1.352 . . . . 10.0 111.763 176.292 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 28' ' ' TYR . . . . . . . . . . . . . 77.9 t80 -58.88 -53.69 55.57 Favored 'General case' 0 CA--C 1.536 0.43 0 C-N-CA 123.603 0.761 . . . . 10.0 112.346 176.05 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 29' ' ' TYR . . . . . . . . . . . . . 77.4 t80 -56.44 -51.87 66.8 Favored 'General case' 0 CA--C 1.537 0.448 0 C-N-CA 124.13 0.972 . . . . 10.0 112.251 177.145 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -49.61 -36.71 25.12 Favored 'General case' 0 CA--C 1.546 0.81 0 C-N-CA 124.38 1.072 . . . . 10.0 113.866 176.858 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -86.56 -21.97 26.58 Favored 'General case' 0 CA--C 1.552 1.039 0 N-CA-C 115.235 1.568 . . . . 10.0 115.235 177.037 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 32' ' ' ASN . . . . . . . . . . . . . 55.7 m-80 -130.63 11.53 5.27 Favored 'General case' 0 N--CA 1.477 0.903 0 N-CA-C 116.435 2.013 . . . . 10.0 116.435 -169.24 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 33' ' ' TYR . . . . . . . . . . . . . 44.8 p90 -50.4 -31.22 14.29 Favored 'General case' 0 N--CA 1.476 0.855 0 C-N-CA 125.786 1.634 . . . . 10.0 115.194 -175.218 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 34' ' ' TRP . . . . . . . . . . . . . 65.5 p-90 -50.84 -33.85 25.41 Favored 'General case' 0 CA--C 1.545 0.776 0 C-N-CA 126.181 1.793 . . . . 10.0 114.402 175.007 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 32.8 mt-30 -68.89 -35.98 77.51 Favored 'General case' 0 N--CA 1.474 0.759 0 C-N-CA 124.42 1.088 . . . . 10.0 113.667 177.742 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 36' ' ' PHE . . . . . . . . . . . . . 64.5 m-85 -75.44 157.07 84.96 Favored Pre-proline 0 CA--C 1.545 0.766 0 C-N-CA 126.456 1.903 . . . . 10.0 113.872 -169.581 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 59.7 Cg_endo -73.49 160.79 43.77 Favored 'Trans proline' 0 CA--C 1.541 0.848 0 C-N-CA 123.039 2.493 . . . . 10.0 110.95 169.616 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 7.4 t70 -112.54 -36.13 5.33 Favored 'General case' 0 N--CA 1.475 0.782 0 C-N-CA 125.283 1.433 . . . . 10.0 111.061 172.986 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . -130.66 174.25 19.84 Favored Glycine 0 CA--C 1.534 1.239 0 C-N-CA 126.034 1.778 . . . . 10.0 111.621 169.651 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 40' ' ' ILE . . . . . . . . . . . . . 97.3 mt -138.23 126.01 29.34 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.691 0 C-N-CA 125.284 1.434 . . . . 10.0 108.342 175.178 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 41' ' ' TYR . . . . . . . . . . . . . 90.9 t80 -73.48 109.7 7.2 Favored 'General case' 0 CA--C 1.536 0.418 0 C-N-CA 125.275 1.43 . . . . 10.0 109.835 171.409 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 42' ' ' TYR . . . . . . . . . . . . . 49.4 t80 -151.54 149.83 29.65 Favored 'General case' 0 N--CA 1.474 0.733 0 CA-C-N 119.167 0.894 . . . . 10.0 112.385 -179.48 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 51.5 mt-10 -135.29 71.22 1.43 Allowed 'General case' 0 N--CA 1.474 0.741 0 C-N-CA 126.034 1.734 . . . . 10.0 110.81 -175.684 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . -79.51 -57.22 3.17 Favored Glycine 0 CA--C 1.532 1.116 0 C-N-CA 124.847 1.213 . . . . 10.0 113.564 -178.742 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 45' ' ' CYS . . . . . . . . . . . . . 25.0 m -62.52 142.25 58.04 Favored 'General case' 0 CA--C 1.541 0.627 0 C-N-CA 125.48 1.512 . . . . 10.0 114.029 -178.203 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 24.8 t -146.55 -52.52 0.23 Allowed 'General case' 0 N--CA 1.472 0.651 0 C-N-CA 126.273 1.829 . . . . 10.0 111.45 178.915 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 10.8 pt-20 -141.88 162.77 34.65 Favored 'General case' 0 CA--C 1.542 0.659 0 C-N-CA 126.253 1.821 . . . . 10.0 112.106 -179.441 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -52.49 -25.01 9.06 Favored 'General case' 0 CA--C 1.546 0.79 0 C-N-CA 126.503 1.921 . . . . 10.0 116.096 -174.309 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 68.2 m-20 -61.14 -32.13 71.84 Favored 'General case' 0 CA--C 1.546 0.813 0 C-N-CA 124.162 0.985 . . . . 10.0 113.331 172.535 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . 48.0 t -73.02 124.32 29.7 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.861 0 C-N-CA 124.762 1.225 . . . . 10.0 110.166 173.117 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 82.6 p -113.31 176.7 4.91 Favored 'General case' 0 N--CA 1.478 0.966 0 C-N-CA 125.775 1.63 . . . . 10.0 112.254 -177.733 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 84.3 tttt -58.69 -54.66 44.52 Favored 'General case' 0 N--CA 1.473 0.7 0 O-C-N 121.316 -0.865 . . . . 10.0 111.97 173.358 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 12.3 pt-20 -54.13 -37.44 64.36 Favored 'General case' 0 N--CA 1.474 0.742 0 N-CA-C 112.88 0.696 . . . . 10.0 112.88 179.306 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 54' ' ' MET . . . . . . . . . . . . . 93.7 mtp -62.61 -56.72 15.23 Favored 'General case' 0 CA--C 1.538 0.496 0 C-N-CA 123.211 0.605 . . . . 10.0 111.109 169.445 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 8.3 tt -54.98 -52.83 61.88 Favored 'General case' 0 CA--C 1.535 0.38 0 C-N-CA 124.989 1.315 . . . . 10.0 113.367 -177.124 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 43.6 t -59.69 -52.02 65.93 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.965 0 CA-C-N 119.504 1.047 . . . . 10.0 111.523 -173.24 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 57' ' ' THR . . . . . . . . . . . . . 87.8 m -59.67 -48.17 82.73 Favored 'General case' 0 N--CA 1.475 0.779 0 C-N-CA 124.431 1.092 . . . . 10.0 111.936 174.614 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 42.0 m -61.47 -38.86 88.77 Favored 'General case' 0 N--CA 1.474 0.729 0 C-N-CA 123.544 0.737 . . . . 10.0 112.773 178.388 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 59' ' ' CYS . . . . . . . . . . . . . 36.7 t -59.12 -50.07 75.46 Favored 'General case' 0 CA--C 1.535 0.403 0 C-N-CA 126.598 1.959 . . . . 10.0 112.231 172.898 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 60' ' ' VAL . . . . . . . . . . . . . 41.6 t -54.67 -49.52 67.18 Favored 'Isoleucine or valine' 0 N--CA 1.479 1.004 0 C-N-CA 124.013 0.925 . . . . 10.0 111.511 171.663 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 61' ' ' ASN . . . . . . . . . . . . . 16.9 m-80 -58.53 -45.3 89.14 Favored 'General case' 0 CA--C 1.544 0.746 0 C-N-CA 124.513 1.125 . . . . 10.0 113.146 175.795 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -61.69 -45.51 93.68 Favored 'General case' 0 CA--C 1.537 0.477 0 C-N-CA 124.093 0.957 . . . . 10.0 111.537 174.855 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 63' ' ' THR . . . . . . . . . . . . . 31.4 m -55.23 -49.13 72.76 Favored 'General case' 0 N--CA 1.472 0.654 0 C-N-CA 125.362 1.465 . . . . 10.0 111.547 176.112 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 64' ' ' GLN . . . . . . . . . . . . . 77.2 mt-30 -49.92 -59.65 3.66 Favored 'General case' 0 CA--C 1.539 0.529 0 C-N-CA 124.732 1.213 . . . . 10.0 111.836 171.0 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -56.3 -40.28 74.07 Favored 'General case' 0 CA--C 1.546 0.813 0 C-N-CA 125.685 1.594 . . . . 10.0 114.153 -179.707 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -71.59 -43.93 65.37 Favored 'General case' 0 CA--C 1.543 0.677 0 C-N-CA 125.3 1.44 . . . . 10.0 114.222 -179.816 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 67' ' ' ASN . . . . . . . . . . . . . 9.3 m-80 -113.38 39.52 2.59 Favored 'General case' 0 CA--C 1.545 0.781 0 C-N-CA 124.509 1.124 . . . . 10.0 112.288 -169.668 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 68' ' ' GLN . . . . . . . . . . . . . 16.9 mm-40 -51.05 -50.53 58.46 Favored 'General case' 0 N--CA 1.473 0.721 0 C-N-CA 126.224 1.809 . . . . 10.0 113.636 -174.189 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -54.28 -48.52 71.15 Favored 'General case' 0 CA--C 1.542 0.645 0 C-N-CA 124.909 1.284 . . . . 10.0 113.074 -177.792 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 16.4 mm-40 -55.63 -55.15 35.42 Favored 'General case' 0 N--CA 1.471 0.619 0 C-N-CA 124.887 1.275 . . . . 10.0 111.307 179.209 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 71' ' ' PHE . . . . . . . . . . . . . 33.2 m-85 -59.21 -49.42 77.93 Favored 'General case' 0 CA--C 1.535 0.385 0 C-N-CA 123.923 0.889 . . . . 10.0 112.264 176.147 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 70.7 m -53.95 -48.32 70.39 Favored 'General case' 0 N--CA 1.473 0.718 0 C-N-CA 125.127 1.371 . . . . 10.0 112.88 -178.92 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 73' ' ' ARG . . . . . . . . . . . . . 89.4 mmt-85 -63.47 -52.12 62.73 Favored 'General case' 0 N--CA 1.474 0.774 0 C-N-CA 124.564 1.145 . . . . 10.0 112.326 176.089 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 37.1 mm-40 -65.9 -59.41 3.88 Favored 'General case' 0 N--CA 1.472 0.629 0 C-N-CA 124.229 1.012 . . . . 10.0 113.573 -176.735 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 23.1 ttmm -43.95 -40.02 4.39 Favored 'General case' 0 N--CA 1.481 1.112 0 C-N-CA 127.896 2.478 . . . . 10.0 115.147 -169.84 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 76' ' ' GLN . . . . . . . . . . . . . 95.7 mm-40 -53.78 -33.55 56.26 Favored 'General case' 0 CA--C 1.546 0.796 0 C-N-CA 125.713 1.605 . . . . 10.0 114.343 179.156 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 31.8 t70 -135.49 -35.04 0.82 Allowed 'General case' 0 N--CA 1.476 0.865 0 C-N-CA 125.039 1.336 . . . . 10.0 114.034 -172.715 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -77.38 63.44 2.56 Favored 'General case' 0 CA--C 1.543 0.688 0 C-N-CA 127.316 2.246 . . . . 10.0 112.578 -173.521 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 88.3 tttt -49.74 -62.28 1.65 Allowed 'General case' 0 N--CA 1.475 0.796 0 C-N-CA 127.704 2.402 . . . . 10.0 113.206 -171.934 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 39.7 tp -63.32 -44.82 93.87 Favored 'General case' 0 CA--C 1.536 0.441 0 C-N-CA 124.671 1.189 . . . . 10.0 112.166 -179.576 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 81' ' ' HIS . . . . . . . . . . . . . 16.3 t-160 -50.86 -48.22 60.17 Favored 'General case' 0 N--CA 1.471 0.603 0 C-N-CA 123.763 0.825 . . . . 10.0 112.019 -177.927 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 82' ' ' GLN . . . . . . . . . . . . . 84.0 mm-40 -47.88 -55.69 9.26 Favored 'General case' 0 N--CA 1.471 0.624 0 C-N-CA 124.207 1.003 . . . . 10.0 112.638 175.955 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 83' ' ' ARG . . . . . . . . . . . . . 10.6 mpt_? -54.48 -53.95 47.46 Favored 'General case' 0 N--CA 1.48 1.042 0 C-N-CA 124.435 1.094 . . . . 10.0 111.568 -178.553 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 84' ' ' VAL . . . . . . . . . . . . . 16.3 t -59.91 -49.98 81.85 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.772 0 C-N-CA 125.372 1.469 . . . . 10.0 111.101 178.682 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 85' ' ' LEU . . . . . . . . . . . . . 48.1 tp -60.49 -47.25 86.95 Favored 'General case' 0 N--CA 1.47 0.53 0 C-N-CA 126.089 1.756 . . . . 10.0 113.092 179.881 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 86' ' ' TRP . . . . . . . . . . . . . 68.9 m95 -60.7 -41.89 96.08 Favored 'General case' 0 N--CA 1.468 0.425 0 O-C-N 121.431 -0.793 . . . . 10.0 112.869 174.748 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 87' ' ' ARG . . . . . . . . . . . . . 14.8 tpt180 -58.33 -47.5 83.56 Favored 'General case' 0 N--CA 1.472 0.657 0 CA-C-O 118.571 -0.728 . . . . 10.0 111.636 169.748 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 88' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -50.96 -56.39 12.63 Favored 'General case' 0 N--CA 1.474 0.754 0 C-N-CA 125.363 1.465 . . . . 10.0 111.705 174.518 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 89' ' ' ILE . . . . . . . . . . . . . 81.4 mt -54.42 -51.18 51.68 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.539 0 C-N-CA 125.743 1.617 . . . . 10.0 110.796 176.29 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 40.4 ttmt -58.22 -46.07 86.55 Favored 'General case' 0 N--CA 1.472 0.671 0 C-N-CA 124.665 1.186 . . . . 10.0 113.164 177.744 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 68.5 mm-40 -52.52 -51.92 57.16 Favored 'General case' 0 N--CA 1.471 0.608 0 CA-C-N 119.526 1.057 . . . . 10.0 111.57 172.007 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 92' ' ' ILE . . . . . . . . . . . . . 96.7 mt -55.85 -54.46 26.26 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.948 0 C-N-CA 123.906 0.882 . . . . 10.0 111.474 174.581 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 93' ' ' CYS . . . . . . . . . . . . . 84.3 m -56.99 -43.75 82.04 Favored 'General case' 0 CA--C 1.547 0.85 0 C-N-CA 124.742 1.217 . . . . 10.0 112.642 -179.797 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 21.9 t -64.4 -45.37 87.9 Favored 'General case' 0 N--CA 1.475 0.784 0 C-N-CA 126.118 1.767 . . . . 10.0 113.561 174.208 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . -58.76 -49.48 77.47 Favored 'General case' 0 CA--C 1.541 0.634 0 C-N-CA 125.364 1.466 . . . . 10.0 113.67 -174.442 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 96' ' ' LYS . . . . . . . . . . . . . 18.8 ptpt -61.77 139.19 58.36 Favored 'General case' 0 N--CA 1.477 0.904 0 C-N-CA 124.3 1.04 . . . . 10.0 112.373 177.34 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 97' ' ' HIS . . . . . . . . . . . . . 2.9 m-70 -134.21 170.1 16.19 Favored 'General case' 0 N--CA 1.478 0.928 0 C-N-CA 126.523 1.929 . . . . 10.0 111.405 -178.481 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 98' ' ' CYS . . . . . . . . . . . . . 56.3 m -125.01 137.96 54.23 Favored 'General case' 0 N--CA 1.47 0.536 0 C-N-CA 125.009 1.324 . . . . 10.0 112.397 -174.545 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 99' ' ' ASP . . . . . . . . . . . . . 31.8 t70 -57.03 -44.89 83.33 Favored 'General case' 0 N--CA 1.472 0.66 0 C-N-CA 125.658 1.583 . . . . 10.0 113.8 -172.883 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 100' ' ' PHE . . . . . . . . . . . . . 9.0 p90 -71.95 -11.93 61.01 Favored 'General case' 0 CA--C 1.544 0.742 0 N-CA-C 115.166 1.543 . . . . 10.0 115.166 -176.065 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 101' ' ' TRP . . . . . . . . . . . . . 40.6 m0 -57.16 129.04 39.99 Favored 'General case' 0 N--CA 1.474 0.74 0 CA-C-N 119.915 1.234 . . . . 10.0 112.247 -179.422 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 102' ' ' LEU . . . . . . . . . . . . . 4.3 pp -143.8 175.74 9.77 Favored 'General case' 0 CA--C 1.543 0.674 0 C-N-CA 126.913 2.085 . . . . 10.0 112.297 -169.636 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 39.2 tt0 -139.49 -74.21 0.37 Allowed 'General case' 0 N--CA 1.472 0.668 0 C-N-CA 124.855 1.262 . . . . 10.0 110.955 176.727 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 104' ' ' ARG . . . . . . . . . . . . . 40.5 ttm180 -70.15 136.7 50.38 Favored 'General case' 0 N--CA 1.475 0.793 0 C-N-CA 124.785 1.234 . . . . 10.0 111.171 175.037 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 105' ' ' GLY . . . . . . . . . . . . . . . -71.22 -59.14 5.15 Favored Glycine 0 CA--C 1.535 1.302 0 C-N-CA 124.714 1.15 . . . . 10.0 112.908 177.583 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 106' ' ' ALA . . . . . . . . . . . . . . . -64.84 127.2 30.56 Favored 'General case' 0 CA--C 1.546 0.825 0 C-N-CA 124.64 1.176 . . . . 10.0 112.352 177.928 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 107' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.253 1.268 0 C-N-CA 125.373 1.469 . . . . 10.0 112.939 175.559 . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' A' A ' 1' ' ' ARG . . . . . . . . . . . . . 54.6 ttp85 . . . . . 0 N--CA 1.488 1.459 0 N-CA-C 110.131 -0.322 . . . . 10.0 110.131 . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' A' A ' 2' ' ' VAL . . . . . . . . . . . . . 65.1 t -68.51 115.75 7.46 Favored 'Isoleucine or valine' 0 N--CA 1.479 1.019 0 C-N-CA 123.784 0.834 . . . . 10.0 109.608 171.315 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -69.37 149.49 48.33 Favored 'General case' 0 CA--C 1.54 0.576 0 C-N-CA 123.979 0.911 . . . . 10.0 112.531 176.796 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 36.4 mp0 -64.49 133.63 52.83 Favored 'General case' 0 CA--C 1.538 0.482 0 C-N-CA 124.174 0.99 . . . . 10.0 110.337 169.75 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 5' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -73.49 62.12 0.73 Allowed 'General case' 0 CA--C 1.552 1.043 0 C-N-CA 124.351 1.061 . . . . 10.0 110.424 169.635 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 6.4 ptp180 -77.34 159.55 77.37 Favored Pre-proline 0 CA--C 1.543 0.702 0 C-N-CA 127.811 2.444 . . . . 10.0 111.342 178.384 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 7' ' ' PRO . . . . . . . . . . . . . 20.4 Cg_endo -55.69 120.94 9.08 Favored 'Trans proline' 0 CA--C 1.539 0.729 0 C-N-CA 122.618 2.212 . . . . 10.0 111.149 177.26 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . 118.96 -20.93 9.71 Favored Glycine 0 CA--C 1.539 1.555 0 C-N-CA 127.851 2.643 . . . . 10.0 113.418 -169.63 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -59.32 133.32 55.99 Favored 'General case' 0 CA--C 1.545 0.779 0 CA-C-N 119.433 1.616 . . . . 10.0 113.493 -171.072 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 10' ' ' PHE . . . . . . . . . . . . . 19.7 m-30 -58.35 141.25 51.81 Favored 'General case' 0 CA--C 1.541 0.631 0 C-N-CA 124.074 0.95 . . . . 10.0 111.929 170.775 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 55.6 mt -112.71 96.39 4.64 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.538 0 C-N-CA 125.643 1.577 . . . . 10.0 107.006 169.835 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 55.9 mtmt -92.47 118.46 30.99 Favored 'General case' 0 N--CA 1.472 0.656 0 C-N-CA 125.46 1.504 . . . . 10.0 110.245 -178.55 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 73.3 mt-30 -121.02 -43.61 2.44 Favored 'General case' 0 CA--C 1.539 0.546 0 C-N-CA 127.819 2.448 . . . . 10.0 111.526 -171.465 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . 85.21 55.22 2.66 Favored Glycine 0 CA--C 1.532 1.152 0 C-N-CA 125.968 1.747 . . . . 10.0 111.638 -171.055 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 51.3 ttm-85 -122.1 77.0 1.34 Allowed 'General case' 0 N--CA 1.471 0.584 0 C-N-CA 126.874 2.069 . . . . 10.0 109.269 -175.43 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 76.1 tttt -46.26 105.77 0.07 Allowed 'General case' 0 N--CA 1.475 0.793 0 C-N-CA 127.884 2.473 . . . . 10.0 112.752 -169.844 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 89.9 mt -77.63 171.79 14.39 Favored 'General case' 0 CA--C 1.543 0.679 0 C-N-CA 126.17 1.788 . . . . 10.0 112.878 -172.077 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 19.5 t0 -121.98 90.4 3.3 Favored 'General case' 0 CA--C 1.541 0.609 0 C-N-CA 125.898 1.679 . . . . 10.0 110.286 174.805 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . 74.8 mt -132.03 125.76 55.34 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.651 0 C-N-CA 127.355 2.262 . . . . 10.0 107.517 -179.78 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 24.6 t0 -83.76 83.69 7.83 Favored 'General case' 0 N--CA 1.469 0.516 0 CA-C-O 121.916 0.865 . . . . 10.0 110.432 172.143 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 21' ' ' PHE . . . . . . . . . . . . . 89.2 m-85 -60.95 -41.47 96.34 Favored 'General case' 0 CA--C 1.539 0.54 0 C-N-CA 126.487 1.915 . . . . 10.0 111.82 172.539 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 127.31 162.55 11.18 Favored Glycine 0 CA--C 1.533 1.216 0 C-N-CA 127.578 2.513 . . . . 10.0 110.469 -169.663 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -43.98 -54.86 5.05 Favored 'General case' 0 CA--C 1.546 0.812 0 N-CA-C 115.33 1.604 . . . . 10.0 115.33 -169.892 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 58.1 mt-10 -60.87 -52.13 66.36 Favored 'General case' 0 N--CA 1.474 0.736 0 C-N-CA 124.089 0.956 . . . . 10.0 111.864 177.809 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -66.97 -38.19 92.64 Favored Glycine 0 CA--C 1.528 0.849 0 C-N-CA 124.539 1.066 . . . . 10.0 114.149 -175.719 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 90.4 m-20 -56.61 -50.77 71.02 Favored 'General case' 0 CA--C 1.536 0.404 0 C-N-CA 125.485 1.514 . . . . 10.0 110.315 172.839 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 99.4 mtt180 -62.86 -47.26 84.11 Favored 'General case' 0 N--CA 1.475 0.82 0 C-N-CA 124.599 1.16 . . . . 10.0 111.395 177.938 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 28' ' ' TYR . . . . . . . . . . . . . 77.2 t80 -58.11 -53.59 56.5 Favored 'General case' 0 CA--C 1.538 0.507 0 C-N-CA 124.725 1.21 . . . . 10.0 112.296 177.731 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 29' ' ' TYR . . . . . . . . . . . . . 81.8 t80 -57.13 -51.43 69.33 Favored 'General case' 0 CA--C 1.535 0.382 0 C-N-CA 124.763 1.225 . . . . 10.0 112.153 175.846 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -50.28 -35.29 26.64 Favored 'General case' 0 CA--C 1.546 0.807 0 N-CA-C 113.794 1.035 . . . . 10.0 113.794 178.005 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -86.08 -29.76 23.12 Favored 'General case' 0 CA--C 1.552 1.032 0 C-N-CA 125.681 1.593 . . . . 10.0 115.118 175.739 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 32' ' ' ASN . . . . . . . . . . . . . 55.5 m-80 -123.61 10.9 9.12 Favored 'General case' 0 CA--C 1.548 0.891 0 N-CA-C 116.541 2.052 . . . . 10.0 116.541 -169.036 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 33' ' ' TYR . . . . . . . . . . . . . 45.9 p90 -48.05 -34.05 8.97 Favored 'General case' 0 N--CA 1.478 0.936 0 C-N-CA 126.448 1.899 . . . . 10.0 115.059 -176.602 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 34' ' ' TRP . . . . . . . . . . . . . 63.7 p-90 -50.14 -33.91 20.54 Favored 'General case' 0 CA--C 1.546 0.813 0 C-N-CA 126.017 1.727 . . . . 10.0 114.521 174.306 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 29.9 mt-30 -70.22 -37.7 75.07 Favored 'General case' 0 N--CA 1.473 0.691 0 C-N-CA 124.829 1.252 . . . . 10.0 113.789 177.103 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 36' ' ' PHE . . . . . . . . . . . . . 69.8 m-85 -72.8 156.11 90.17 Favored Pre-proline 0 CA--C 1.543 0.7 0 C-N-CA 126.04 1.736 . . . . 10.0 114.57 -169.468 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 90.5 Cg_endo -73.48 128.06 12.38 Favored 'Trans proline' 0 CA--C 1.539 0.755 0 C-N-CA 123.314 2.676 . . . . 10.0 110.355 169.503 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 9.7 m-20 -85.47 -32.68 22.13 Favored 'General case' 0 N--CA 1.472 0.632 0 C-N-CA 123.956 0.902 . . . . 10.0 111.003 173.312 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . -134.54 172.16 22.0 Favored Glycine 0 CA--C 1.536 1.402 0 C-N-CA 127.165 2.317 . . . . 10.0 110.917 169.448 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 40' ' ' ILE . . . . . . . . . . . . . 98.5 mt -136.39 124.71 35.76 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.83 0 C-N-CA 124.646 1.178 . . . . 10.0 108.906 175.112 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 41' ' ' TYR . . . . . . . . . . . . . 71.9 t80 -72.76 101.47 3.11 Favored 'General case' 0 CA--C 1.535 0.377 0 C-N-CA 124.958 1.303 . . . . 10.0 110.136 174.132 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 42' ' ' TYR . . . . . . . . . . . . . 59.9 t80 -152.78 145.78 24.53 Favored 'General case' 0 N--CA 1.469 0.492 0 C-N-CA 124.055 0.942 . . . . 10.0 111.592 176.551 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 50.6 mt-10 -128.0 86.56 2.49 Favored 'General case' 0 N--CA 1.47 0.532 0 C-N-CA 125.839 1.656 . . . . 10.0 110.238 -177.503 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . -103.23 37.84 3.52 Favored Glycine 0 CA--C 1.533 1.159 0 C-N-CA 125.075 1.321 . . . . 10.0 113.964 -176.687 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 45' ' ' CYS . . . . . . . . . . . . . 70.7 m -135.42 119.73 17.85 Favored 'General case' 0 CA--C 1.541 0.609 0 C-N-CA 125.772 1.629 . . . . 10.0 110.725 -176.287 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 38.7 p -136.87 -59.32 0.71 Allowed 'General case' 0 N--CA 1.472 0.642 0 C-N-CA 126.081 1.752 . . . . 10.0 112.146 178.639 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 12.0 pt-20 -147.1 158.79 44.05 Favored 'General case' 0 CA--C 1.542 0.667 0 C-N-CA 126.138 1.775 . . . . 10.0 112.908 -178.376 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -56.01 -19.72 13.75 Favored 'General case' 0 CA--C 1.546 0.824 0 N-CA-C 116.143 1.905 . . . . 10.0 116.143 -174.755 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 72.8 m-20 -61.96 -31.65 72.01 Favored 'General case' 0 CA--C 1.546 0.813 0 C-N-CA 123.979 0.912 . . . . 10.0 113.152 170.401 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . 47.1 t -70.28 130.35 34.59 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.865 0 C-N-CA 124.672 1.189 . . . . 10.0 109.898 170.477 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 73.5 p -112.72 170.85 7.9 Favored 'General case' 0 N--CA 1.477 0.903 0 C-N-CA 125.533 1.533 . . . . 10.0 111.532 -176.998 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 62.6 tttm -57.56 -54.55 45.53 Favored 'General case' 0 N--CA 1.473 0.718 0 O-C-N 121.619 -0.676 . . . . 10.0 112.189 176.803 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 12.8 pt-20 -53.0 -43.11 66.23 Favored 'General case' 0 CA--C 1.543 0.678 0 N-CA-C 113.009 0.744 . . . . 10.0 113.009 176.717 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 54' ' ' MET . . . . . . . . . . . . . 59.3 mtm -61.47 -44.98 96.13 Favored 'General case' 0 CA--C 1.538 0.508 0 C-N-CA 123.416 0.686 . . . . 10.0 112.826 171.925 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 3.0 tt -55.64 -59.55 4.69 Favored 'General case' 0 N--CA 1.47 0.569 0 CA-C-N 119.528 1.058 . . . . 10.0 111.358 173.656 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 56' ' ' VAL . . . . . 0.462 HG22 ' HA ' ' A' ' 94' ' ' SER . 18.5 t -54.25 -48.37 67.08 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.909 0 CA-C-N 119.364 0.984 . . . . 10.0 111.151 -177.543 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 57' ' ' THR . . . . . . . . . . . . . 57.9 m -61.3 -53.74 52.85 Favored 'General case' 0 N--CA 1.476 0.829 0 C-N-CA 124.942 1.297 . . . . 10.0 112.284 178.802 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 96.7 p -60.89 -36.94 80.53 Favored 'General case' 0 N--CA 1.472 0.673 0 O-C-N 121.491 -0.756 . . . . 10.0 112.642 177.915 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 59' ' ' CYS . . . . . . . . . . . . . 43.4 t -57.79 -51.35 69.94 Favored 'General case' 0 CA--C 1.536 0.441 0 C-N-CA 125.744 1.617 . . . . 10.0 112.646 170.843 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 60' ' ' VAL . . . . . . . . . . . . . 43.8 t -54.46 -49.11 67.86 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.071 0 CA-C-N 119.402 1.001 . . . . 10.0 111.466 172.29 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 61' ' ' ASN . . . . . . . . . . . . . 15.8 m-80 -59.45 -44.03 93.04 Favored 'General case' 0 CA--C 1.545 0.759 0 C-N-CA 124.155 0.982 . . . . 10.0 113.147 176.887 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -61.1 -49.15 78.47 Favored 'General case' 0 CA--C 1.539 0.549 0 C-N-CA 124.042 0.937 . . . . 10.0 111.11 173.823 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 63' ' ' THR . . . . . . . . . . . . . 33.1 m -52.95 -50.27 64.39 Favored 'General case' 0 N--CA 1.472 0.644 0 C-N-CA 125.779 1.632 . . . . 10.0 111.751 176.9 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 64' ' ' GLN . . . . . . . . . . . . . 79.6 mt-30 -48.36 -60.66 2.49 Favored 'General case' 0 CA--C 1.538 0.506 0 C-N-CA 125.433 1.493 . . . . 10.0 112.015 172.512 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -58.6 -38.65 78.43 Favored 'General case' 0 CA--C 1.546 0.815 0 C-N-CA 125.351 1.461 . . . . 10.0 114.165 -179.387 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -71.71 -38.61 70.5 Favored 'General case' 0 CA--C 1.542 0.659 0 N-CA-C 114.459 1.281 . . . . 10.0 114.459 179.68 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 67' ' ' ASN . . . . . . . . . . . . . 11.4 m-80 -117.82 40.14 3.19 Favored 'General case' 0 CA--C 1.546 0.811 0 C-N-CA 124.242 1.017 . . . . 10.0 112.411 -169.824 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 68' ' ' GLN . . . . . . . . . . . . . 37.8 mm-40 -48.96 -52.88 22.33 Favored 'General case' 0 N--CA 1.475 0.776 0 C-N-CA 126.394 1.878 . . . . 10.0 113.086 -179.69 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -53.18 -42.99 66.77 Favored 'General case' 0 CA--C 1.542 0.656 0 C-N-CA 125.222 1.409 . . . . 10.0 113.191 179.849 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 28.6 mm-40 -59.33 -58.68 7.54 Favored 'General case' 0 CA--C 1.537 0.444 0 C-N-CA 124.243 1.017 . . . . 10.0 110.725 175.473 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 71' ' ' PHE . . . . . . . . . . . . . 37.2 m-85 -58.32 -28.91 65.47 Favored 'General case' 0 CA--C 1.54 0.58 0 N-CA-C 114.468 1.284 . . . . 10.0 114.468 -178.956 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 72.7 m -62.32 -56.11 21.58 Favored 'General case' 0 N--CA 1.473 0.708 0 CA-C-N 119.105 0.866 . . . . 10.0 112.497 169.841 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 73' ' ' ARG . . . . . . . . . . . . . 68.4 mtm-85 -63.98 -58.6 6.22 Favored 'General case' 0 N--CA 1.478 0.934 0 C-N-CA 124.133 0.973 . . . . 10.0 112.556 178.808 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 54.9 mm-40 -74.49 43.67 0.19 Allowed 'General case' 0 CA--C 1.545 0.771 0 C-N-CA 128.688 2.795 . . . . 10.0 113.418 -169.418 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 41.6 ttmt -155.31 -62.47 0.12 Allowed 'General case' 0 N--CA 1.468 0.459 0 C-N-CA 129.582 3.153 . . . . 10.0 109.458 -173.747 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 76' ' ' GLN . . . . . . . . . . . . . 89.7 mm-40 -65.37 -52.79 51.24 Favored 'General case' 0 CA--C 1.54 0.558 0 C-N-CA 125.433 1.493 . . . . 10.0 111.472 173.617 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 25.1 t70 -71.5 -39.17 71.0 Favored 'General case' 0 CA--C 1.542 0.641 0 C-N-CA 124.181 0.993 . . . . 10.0 112.561 176.724 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 6.9 t -132.31 97.74 4.2 Favored 'General case' 0 N--CA 1.471 0.625 0 C-N-CA 124.599 1.159 . . . . 10.0 113.321 -175.676 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 88.1 tttt -60.39 -46.72 88.96 Favored 'General case' 0 N--CA 1.475 0.798 0 C-N-CA 125.942 1.697 . . . . 10.0 112.029 173.72 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -52.51 -49.51 64.65 Favored 'General case' 0 N--CA 1.472 0.67 0 C-N-CA 125.893 1.677 . . . . 10.0 111.145 177.736 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 81' ' ' HIS . . . . . . . . . . . . . 6.4 t-160 -51.42 -48.41 62.69 Favored 'General case' 0 N--CA 1.466 0.373 0 C-N-CA 125.591 1.556 . . . . 10.0 113.55 -170.691 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 82' ' ' GLN . . . . . . . . . . . . . 61.4 mm-40 -44.37 -60.84 1.75 Allowed 'General case' 0 N--CA 1.477 0.886 0 C-N-CA 125.055 1.342 . . . . 10.0 113.742 -178.011 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 83' ' ' ARG . . . . . . . . . . . . . 61.0 mtm180 -52.35 -51.75 57.11 Favored 'General case' 0 N--CA 1.479 1.001 0 C-N-CA 124.572 1.149 . . . . 10.0 112.223 -178.129 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 84' ' ' VAL . . . . . . . . . . . . . 3.4 t -59.71 -54.2 37.91 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.721 0 C-N-CA 125.893 1.677 . . . . 10.0 110.969 178.026 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 85' ' ' LEU . . . . . . . . . . . . . 33.8 tp -56.11 -51.75 66.79 Favored 'General case' 0 CA--C 1.536 0.406 0 C-N-CA 126.126 1.77 . . . . 10.0 112.312 -179.832 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 86' ' ' TRP . . . . . . . . . . . . . 58.6 m95 -59.48 -43.43 93.29 Favored 'General case' 0 N--CA 1.467 0.422 0 N-CA-C 113.446 0.906 . . . . 10.0 113.446 175.952 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 87' ' ' ARG . . . . . . . . . . . . . 14.4 tpt180 -56.67 -50.57 71.7 Favored 'General case' 0 N--CA 1.472 0.654 0 CA-C-N 118.864 0.756 . . . . 10.0 111.297 171.538 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 88' ' ' LEU . . . . . . . . . . . . . 1.2 tt -57.13 -52.79 63.88 Favored 'General case' 0 CA--C 1.544 0.736 0 C-N-CA 124.392 1.077 . . . . 10.0 112.011 177.573 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 89' ' ' ILE . . . . . . . . . . . . . 84.2 mt -49.94 -51.35 16.85 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.733 0 C-N-CA 124.86 1.264 . . . . 10.0 110.519 172.998 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 85.4 tttt -59.56 -46.44 88.9 Favored 'General case' 0 N--CA 1.471 0.585 0 CA-C-O 118.004 -0.998 . . . . 10.0 113.224 177.104 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 59.4 mm-40 -52.88 -50.68 63.36 Favored 'General case' 0 N--CA 1.474 0.774 0 CA-C-N 120.16 1.345 . . . . 10.0 111.811 172.33 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 92' ' ' ILE . . . . . . . . . . . . . 96.1 mt -57.54 -56.08 17.41 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.869 0 C-N-CA 124.225 1.01 . . . . 10.0 111.349 174.309 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 93' ' ' CYS . . . . . . . . . . . . . 68.9 m -57.3 -40.15 77.24 Favored 'General case' 0 CA--C 1.548 0.873 0 C-N-CA 124.701 1.2 . . . . 10.0 112.678 -179.774 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 94' ' ' SER . . . . . 0.462 ' HA ' HG22 ' A' ' 56' ' ' VAL . 16.1 t -64.06 -40.22 95.8 Favored 'General case' 0 N--CA 1.474 0.743 0 C-N-CA 126.445 1.898 . . . . 10.0 113.596 173.368 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . -59.15 -34.69 72.38 Favored 'General case' 0 CA--C 1.544 0.742 0 C-N-CA 124.001 0.92 . . . . 10.0 113.193 176.928 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 96' ' ' LYS . . . . . . . . . . . . . 28.1 mttm -55.59 130.25 42.23 Favored 'General case' 0 N--CA 1.478 0.969 0 C-N-CA 125.036 1.334 . . . . 10.0 111.949 177.573 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 97' ' ' HIS . . . . . 0.441 ' HA ' ' CZ3' ' A' ' 101' ' ' TRP . 26.6 m80 -131.88 154.5 49.14 Favored 'General case' 0 N--CA 1.473 0.722 0 C-N-CA 125.753 1.621 . . . . 10.0 111.908 175.181 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 98' ' ' CYS . . . . . . . . . . . . . 37.7 m -110.54 132.69 53.97 Favored 'General case' 0 CA--C 1.539 0.556 0 C-N-CA 124.934 1.294 . . . . 10.0 111.04 173.579 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 99' ' ' ASP . . . . . . . . . . . . . 32.2 t70 -58.29 -39.04 78.25 Favored 'General case' 0 N--CA 1.474 0.729 0 C-N-CA 124.835 1.254 . . . . 10.0 113.433 -177.801 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 100' ' ' PHE . . . . . . . . . . . . . 5.3 p90 -68.26 -11.32 59.18 Favored 'General case' 0 CA--C 1.545 0.769 0 N-CA-C 115.492 1.664 . . . . 10.0 115.492 -178.458 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 101' ' ' TRP . . . . . 0.441 ' CZ3' ' HA ' ' A' ' 97' ' ' HIS . 33.2 m0 -59.4 118.37 5.92 Favored 'General case' 0 N--CA 1.472 0.638 0 CA-C-N 120.038 1.29 . . . . 10.0 112.7 -177.993 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 102' ' ' LEU . . . . . . . . . . . . . 51.2 mt -81.8 150.91 27.64 Favored 'General case' 0 CA--C 1.54 0.566 0 C-N-CA 126.004 1.722 . . . . 10.0 111.289 -177.964 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 45.9 mt-10 -70.17 -55.12 10.16 Favored 'General case' 0 N--CA 1.474 0.738 0 C-N-CA 123.764 0.825 . . . . 10.0 111.488 175.881 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 104' ' ' ARG . . . . . . . . . . . . . 90.6 mmt-85 -141.9 -59.31 0.47 Allowed 'General case' 0 N--CA 1.477 0.911 0 C-N-CA 126.822 2.049 . . . . 10.0 110.865 176.1 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 105' ' ' GLY . . . . . . . . . . . . . . . -176.48 -164.22 30.16 Favored Glycine 0 CA--C 1.535 1.329 0 C-N-CA 126.057 1.789 . . . . 10.0 112.444 178.473 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 106' ' ' ALA . . . . . . . . . . . . . . . -64.49 151.08 45.33 Favored 'General case' 0 CA--C 1.547 0.861 0 C-N-CA 124.352 1.061 . . . . 10.0 112.875 176.558 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 107' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.252 1.219 0 C-N-CA 126.596 1.959 . . . . 10.0 112.086 179.549 . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' A' A ' 1' ' ' ARG . . . . . . . . . . . . . 80.1 mtp85 . . . . . 0 N--CA 1.49 1.565 0 CA-C-O 118.939 -0.553 . . . . 10.0 109.707 . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' A' A ' 2' ' ' VAL . . . . . . . . . . . . . 13.6 p -69.32 138.9 21.3 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.055 0 CA-C-N 119.541 1.064 . . . . 10.0 111.169 172.006 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -81.41 114.12 19.95 Favored 'General case' 0 CA--C 1.54 0.589 0 C-N-CA 123.739 0.816 . . . . 10.0 111.167 172.598 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 46.0 mt-10 -70.99 129.59 39.4 Favored 'General case' 0 N--CA 1.469 0.508 0 N-CA-C 109.301 -0.629 . . . . 10.0 109.301 169.551 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 5' ' ' ASN . . . . . . . . . . . . . 55.1 t30 -73.4 69.95 1.2 Allowed 'General case' 0 CA--C 1.549 0.911 0 C-N-CA 124.643 1.177 . . . . 10.0 112.259 -176.849 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 15.4 ptt-85 -78.46 150.84 77.11 Favored Pre-proline 0 N--CA 1.474 0.737 0 C-N-CA 128.156 2.582 . . . . 10.0 111.977 176.683 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 7' ' ' PRO . . . . . . . . . . . . . 45.7 Cg_endo -61.51 118.49 5.37 Favored 'Trans proline' 0 CA--C 1.539 0.728 0 C-N-CA 122.53 2.153 . . . . 10.0 110.14 175.208 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . 113.77 -10.68 23.29 Favored Glycine 0 CA--C 1.539 1.539 0 C-N-CA 126.515 2.007 . . . . 10.0 113.94 -169.779 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -62.26 130.77 46.88 Favored 'General case' 0 CA--C 1.544 0.738 0 CA-C-N 119.602 1.701 . . . . 10.0 112.067 -179.633 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 10' ' ' PHE . . . . . . . . . . . . . 28.2 m-85 -62.27 151.42 36.47 Favored 'General case' 0 CA--C 1.54 0.559 0 C-N-CA 123.466 0.706 . . . . 10.0 112.073 172.988 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 71.8 mt -121.14 115.45 46.76 Favored 'Isoleucine or valine' 0 C--O 1.236 0.368 0 N-CA-C 106.594 -1.632 . . . . 10.0 106.594 169.612 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 57.4 mtmt -117.6 85.83 2.41 Favored 'General case' 0 N--CA 1.471 0.612 0 C-N-CA 126.282 1.833 . . . . 10.0 109.767 -175.514 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 35.8 mt-30 -76.82 -30.9 56.57 Favored 'General case' 0 CA--C 1.541 0.599 0 C-N-CA 126.518 1.927 . . . . 10.0 111.15 171.664 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . 87.47 62.56 1.47 Allowed Glycine 0 CA--C 1.529 0.964 0 C-N-CA 125.314 1.435 . . . . 10.0 110.229 -174.915 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 37.3 ttp85 -128.39 106.87 9.3 Favored 'General case' 0 N--CA 1.47 0.552 0 C-N-CA 126.865 2.066 . . . . 10.0 110.262 -169.703 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 75.4 tttt -69.87 104.96 2.63 Favored 'General case' 0 N--CA 1.473 0.693 0 C-N-CA 125.68 1.592 . . . . 10.0 110.761 -178.172 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 86.8 mt -75.14 173.7 10.42 Favored 'General case' 0 CA--C 1.543 0.709 0 C-N-CA 125.724 1.61 . . . . 10.0 112.812 -177.449 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 19.5 t0 -126.2 93.32 3.78 Favored 'General case' 0 CA--C 1.541 0.628 0 C-N-CA 125.852 1.661 . . . . 10.0 110.087 172.758 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . 88.7 mt -132.62 134.52 58.61 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.719 0 C-N-CA 127.44 2.296 . . . . 10.0 108.34 -179.121 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 24.4 t0 -85.23 102.43 13.32 Favored 'General case' 0 CA--C 1.538 0.508 0 CA-C-O 121.727 0.775 . . . . 10.0 109.594 169.361 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 21' ' ' PHE . . . . . . . . . . . . . 74.0 m-85 -81.9 -31.42 31.42 Favored 'General case' 0 CA--C 1.542 0.637 0 C-N-CA 126.907 2.083 . . . . 10.0 111.774 170.363 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 119.18 155.45 9.8 Favored Glycine 0 CA--C 1.533 1.184 0 C-N-CA 127.849 2.643 . . . . 10.0 109.754 -169.554 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -41.33 -56.08 2.55 Favored 'General case' 0 CA--C 1.548 0.891 0 N-CA-C 115.546 1.684 . . . . 10.0 115.546 -169.695 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 40.3 tt0 -60.72 -46.8 89.03 Favored 'General case' 0 CA--C 1.544 0.729 0 C-N-CA 125.026 1.33 . . . . 10.0 112.433 178.464 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -68.38 -40.19 87.13 Favored Glycine 0 CA--C 1.533 1.177 0 C-N-CA 125.258 1.408 . . . . 10.0 114.249 179.582 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 92.2 m-20 -55.25 -49.61 71.58 Favored 'General case' 0 CA--C 1.535 0.383 0 C-N-CA 126.253 1.821 . . . . 10.0 110.436 173.897 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 94.4 mtt-85 -60.46 -45.81 92.36 Favored 'General case' 0 N--CA 1.474 0.749 0 C-N-CA 124.845 1.258 . . . . 10.0 111.769 175.917 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 28' ' ' TYR . . . . . . . . . . . . . 73.4 t80 -59.7 -53.37 58.73 Favored 'General case' 0 CA--C 1.536 0.442 0 C-N-CA 123.945 0.898 . . . . 10.0 112.343 177.805 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 29' ' ' TYR . . . . . . . . . . . . . 79.5 t80 -56.05 -52.72 63.25 Favored 'General case' 0 CA--C 1.535 0.386 0 C-N-CA 124.145 0.978 . . . . 10.0 112.006 175.494 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -50.45 -32.8 18.88 Favored 'General case' 0 CA--C 1.546 0.809 0 N-CA-C 114.209 1.188 . . . . 10.0 114.209 178.686 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -88.75 -28.63 20.38 Favored 'General case' 0 CA--C 1.551 1.003 0 C-N-CA 125.741 1.616 . . . . 10.0 115.068 176.236 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 32' ' ' ASN . . . . . . . . . . . . . 55.7 m-80 -122.97 7.63 9.28 Favored 'General case' 0 CA--C 1.549 0.911 0 N-CA-C 116.289 1.959 . . . . 10.0 116.289 -169.101 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 33' ' ' TYR . . . . . . . . . . . . . 45.6 p90 -45.57 -34.21 3.23 Favored 'General case' 0 N--CA 1.476 0.859 0 C-N-CA 127.417 2.287 . . . . 10.0 115.505 -176.589 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 34' ' ' TRP . . . . . . . . . . . . . 63.3 p-90 -51.94 -34.31 41.35 Favored 'General case' 0 CA--C 1.546 0.8 0 C-N-CA 126.012 1.725 . . . . 10.0 114.497 175.532 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 31.1 mt-30 -67.84 -42.53 81.29 Favored 'General case' 0 N--CA 1.475 0.799 0 C-N-CA 124.21 1.004 . . . . 10.0 112.833 176.225 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 36' ' ' PHE . . . . . . . . . . . . . 76.4 m-85 -69.97 154.61 94.51 Favored Pre-proline 0 CA--C 1.542 0.663 0 C-N-CA 126.547 1.939 . . . . 10.0 114.086 -169.741 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 65.8 Cg_endo -72.9 153.13 52.85 Favored 'Trans proline' 0 CA--C 1.539 0.77 0 C-N-CA 123.024 2.482 . . . . 10.0 109.835 169.021 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 4.1 p30 -115.49 -29.04 6.63 Favored 'General case' 0 N--CA 1.474 0.729 0 C-N-CA 123.9 0.88 . . . . 10.0 111.492 169.882 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . -122.91 166.55 15.29 Favored Glycine 0 CA--C 1.539 1.558 0 C-N-CA 125.477 1.513 . . . . 10.0 110.907 168.36 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 40' ' ' ILE . . . . . . . . . . . . . 97.3 mt -138.71 125.41 25.47 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.956 0 C-N-CA 125.041 1.337 . . . . 10.0 108.492 171.941 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 41' ' ' TYR . . . . . . . . . . . . . 89.7 t80 -74.37 117.18 15.89 Favored 'General case' 0 CA--C 1.536 0.433 0 C-N-CA 124.262 1.025 . . . . 10.0 110.001 169.933 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 42' ' ' TYR . . . . . . . . . . . . . 67.8 t80 -152.9 156.24 38.58 Favored 'General case' 0 CA--C 1.542 0.64 0 C-N-CA 124.715 1.206 . . . . 10.0 111.408 179.591 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 46.5 mt-10 -124.8 95.46 4.52 Favored 'General case' 0 CA--C 1.539 0.546 0 C-N-CA 125.826 1.65 . . . . 10.0 110.072 -177.568 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . -104.91 -64.76 0.66 Allowed Glycine 0 CA--C 1.53 0.997 0 C-N-CA 125.225 1.393 . . . . 10.0 113.838 -170.897 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 45' ' ' CYS . . . . . . . . . . . . . 64.8 m -57.62 117.37 4.13 Favored 'General case' 0 CA--C 1.544 0.748 0 C-N-CA 125.264 1.426 . . . . 10.0 112.001 -178.103 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 23.3 t -140.76 -60.19 0.51 Allowed 'General case' 0 N--CA 1.472 0.64 0 C-N-CA 125.594 1.558 . . . . 10.0 111.981 -175.488 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 11.2 pt-20 -142.53 156.58 45.14 Favored 'General case' 0 N--CA 1.472 0.638 0 C-N-CA 125.074 1.35 . . . . 10.0 112.716 178.963 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -51.84 -31.82 29.27 Favored 'General case' 0 CA--C 1.544 0.721 0 C-N-CA 126.261 1.825 . . . . 10.0 115.265 -175.683 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 79.3 m-20 -64.36 -29.37 70.45 Favored 'General case' 0 CA--C 1.544 0.732 0 C-N-CA 124.767 1.227 . . . . 10.0 113.63 177.737 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . 64.5 t -65.19 111.3 1.3 Allowed 'Isoleucine or valine' 0 N--CA 1.477 0.879 0 C-N-CA 124.498 1.119 . . . . 10.0 109.175 172.365 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 72.3 p -85.0 174.84 9.44 Favored 'General case' 0 N--CA 1.479 1.019 0 C-N-CA 124.545 1.138 . . . . 10.0 112.029 175.187 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 88.2 tttt -60.57 -51.16 70.61 Favored 'General case' 0 N--CA 1.475 0.781 0 O-C-N 121.208 -0.932 . . . . 10.0 110.333 169.488 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 2.3 mp0 -47.51 -50.25 23.89 Favored 'General case' 0 CA--C 1.538 0.483 0 C-N-CA 125.097 1.359 . . . . 10.0 111.792 176.276 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 54' ' ' MET . . . . . . . . . . . . . 95.7 mtp -56.55 -58.78 6.57 Favored 'General case' 0 CA--C 1.536 0.432 0 C-N-CA 124.32 1.048 . . . . 10.0 112.336 171.216 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 6.9 tt -56.62 -54.09 50.05 Favored 'General case' 0 N--CA 1.468 0.442 0 C-N-CA 123.965 0.906 . . . . 10.0 112.32 -174.192 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 62.7 t -56.58 -48.32 80.65 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.779 0 C-N-CA 125.672 1.589 . . . . 10.0 111.053 179.803 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 57' ' ' THR . . . . . . . . . . . . . 87.8 m -60.08 -51.44 69.61 Favored 'General case' 0 N--CA 1.478 0.95 0 C-N-CA 124.355 1.062 . . . . 10.0 111.862 176.459 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 69.5 m -60.21 -36.3 77.37 Favored 'General case' 0 N--CA 1.469 0.52 0 C-N-CA 124.204 1.002 . . . . 10.0 112.845 176.58 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 59' ' ' CYS . . . . . . . . . . . . . 28.7 t -59.07 -50.2 74.97 Favored 'General case' 0 CA--C 1.539 0.521 0 C-N-CA 125.163 1.385 . . . . 10.0 112.648 170.751 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 60' ' ' VAL . . . . . . . . . . . . . 47.1 t -55.2 -49.35 72.9 Favored 'Isoleucine or valine' 0 N--CA 1.479 1.003 0 C-N-CA 123.818 0.847 . . . . 10.0 111.24 172.33 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 61' ' ' ASN . . . . . . . . . . . . . 15.7 m-80 -59.32 -44.0 92.62 Favored 'General case' 0 CA--C 1.545 0.759 0 C-N-CA 124.4 1.08 . . . . 10.0 113.103 176.5 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -61.48 -47.55 85.16 Favored 'General case' 0 CA--C 1.536 0.427 0 C-N-CA 124.151 0.981 . . . . 10.0 111.212 174.74 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 63' ' ' THR . . . . . . . . . . . . . 27.1 m -54.89 -48.98 72.3 Favored 'General case' 0 N--CA 1.472 0.669 0 C-N-CA 124.963 1.305 . . . . 10.0 111.513 175.465 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 64' ' ' GLN . . . . . . . . . . . . . 77.1 mt-30 -51.52 -64.11 0.92 Allowed 'General case' 0 CA--C 1.538 0.506 0 C-N-CA 124.813 1.245 . . . . 10.0 111.5 170.687 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -51.58 -44.02 62.65 Favored 'General case' 0 CA--C 1.544 0.75 0 C-N-CA 126.073 1.749 . . . . 10.0 113.882 -177.994 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -66.87 -28.62 68.48 Favored 'General case' 0 CA--C 1.543 0.685 0 C-N-CA 125.136 1.374 . . . . 10.0 114.381 177.652 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 67' ' ' ASN . . . . . . . . . . . . . 18.6 m-80 -132.12 38.32 3.51 Favored 'General case' 0 CA--C 1.547 0.832 0 CA-C-N 119.641 1.11 . . . . 10.0 113.117 -170.435 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 68' ' ' GLN . . . . . . . . . . . . . 16.4 mm-40 -54.38 -52.85 60.38 Favored 'General case' 0 N--CA 1.475 0.805 0 C-N-CA 125.025 1.33 . . . . 10.0 113.008 -173.162 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -57.9 -46.56 84.75 Favored 'General case' 0 CA--C 1.543 0.681 0 C-N-CA 124.728 1.211 . . . . 10.0 112.741 178.99 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 33.8 mm-40 -54.27 -48.52 71.12 Favored 'General case' 0 N--CA 1.472 0.67 0 C-N-CA 125.085 1.354 . . . . 10.0 111.697 -179.942 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 71' ' ' PHE . . . . . . . . . . . . . 52.7 m-85 -64.01 -61.14 2.46 Favored 'General case' 0 CA--C 1.536 0.433 0 C-N-CA 123.598 0.759 . . . . 10.0 111.877 171.183 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 70.2 m -52.11 -47.49 65.28 Favored 'General case' 0 N--CA 1.474 0.757 0 C-N-CA 125.95 1.7 . . . . 10.0 114.584 -169.816 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 73' ' ' ARG . . . . . . . . . . . . . 29.8 mmt85 -60.81 -47.6 85.62 Favored 'General case' 0 N--CA 1.476 0.842 0 C-N-CA 124.512 1.125 . . . . 10.0 112.466 -179.953 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 14.5 mt-10 -68.52 -46.69 68.88 Favored 'General case' 0 N--CA 1.471 0.599 0 C-N-CA 123.89 0.876 . . . . 10.0 113.341 175.474 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 40.2 ttpt -45.31 -31.53 1.63 Allowed 'General case' 0 N--CA 1.481 1.122 0 C-N-CA 127.844 2.457 . . . . 10.0 115.093 -175.243 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 76' ' ' GLN . . . . . . . . . . . . . 77.6 mm-40 -51.71 -35.14 41.79 Favored 'General case' 0 CA--C 1.545 0.77 0 C-N-CA 125.589 1.556 . . . . 10.0 113.828 174.921 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 31.8 t70 -136.72 -36.78 0.69 Allowed 'General case' 0 N--CA 1.475 0.775 0 C-N-CA 125.633 1.573 . . . . 10.0 114.029 -173.504 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -77.42 53.68 1.07 Allowed 'General case' 0 CA--C 1.547 0.829 0 C-N-CA 127.363 2.265 . . . . 10.0 113.309 -171.176 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 16.4 tppt? -56.75 -51.38 69.09 Favored 'General case' 0 N--CA 1.476 0.831 0 C-N-CA 126.514 1.926 . . . . 10.0 112.969 -174.22 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 38.2 tp -57.44 -45.39 84.74 Favored 'General case' 0 N--CA 1.469 0.507 0 C-N-CA 124.38 1.072 . . . . 10.0 111.828 175.326 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 81' ' ' HIS . . . . . . . . . . . . . 14.1 t-160 -56.86 -53.45 57.74 Favored 'General case' 0 N--CA 1.469 0.505 0 CA-C-O 118.185 -0.912 . . . . 10.0 111.35 175.049 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 82' ' ' GLN . . . . . . . . . . . . . 95.6 mm-40 -48.93 -56.41 8.93 Favored 'General case' 0 N--CA 1.473 0.691 0 C-N-CA 124.432 1.093 . . . . 10.0 112.071 176.093 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 83' ' ' ARG . . . . . . . . . . . . . 51.4 mtp180 -48.21 -57.14 6.34 Favored 'General case' 0 N--CA 1.479 1.023 0 C-N-CA 125.491 1.516 . . . . 10.0 112.735 178.277 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 84' ' ' VAL . . . . . . . . . . . . . 56.3 t -61.73 -51.48 72.16 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.872 0 C-N-CA 125.611 1.565 . . . . 10.0 111.237 178.834 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 85' ' ' LEU . . . . . . . . . . . . . 49.5 tp -55.71 -47.55 76.67 Favored 'General case' 0 N--CA 1.469 0.502 0 C-N-CA 126.203 1.801 . . . . 10.0 112.813 -179.495 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 86' ' ' TRP . . . . . . . . . . . . . 63.2 m95 -62.17 -43.38 98.95 Favored 'General case' 0 N--CA 1.468 0.439 0 N-CA-C 113.786 1.032 . . . . 10.0 113.786 176.7 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 87' ' ' ARG . . . . . . . . . . . . . 24.2 tpt180 -55.45 -46.81 76.76 Favored 'General case' 0 N--CA 1.479 0.979 0 C-N-CA 123.836 0.855 . . . . 10.0 111.467 170.204 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 88' ' ' LEU . . . . . . . . . . . . . 1.9 tt -57.47 -57.14 13.99 Favored 'General case' 0 CA--C 1.546 0.796 0 C-N-CA 124.712 1.205 . . . . 10.0 112.087 174.781 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 89' ' ' ILE . . . . . . . . . . . . . 86.9 mt -50.88 -49.16 27.6 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.818 0 C-N-CA 125.038 1.335 . . . . 10.0 110.913 176.167 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 24.1 tptm -58.23 -45.96 86.8 Favored 'General case' 0 N--CA 1.47 0.539 0 C-N-CA 124.344 1.058 . . . . 10.0 112.905 176.971 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 21.4 mm-40 -56.58 -47.27 79.93 Favored 'General case' 0 N--CA 1.473 0.681 0 CA-C-N 119.624 1.102 . . . . 10.0 112.579 172.433 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 92' ' ' ILE . . . . . . . . . . . . . 97.4 mt -56.22 -54.12 31.48 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.922 0 C-N-CA 123.731 0.813 . . . . 10.0 110.997 172.987 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 93' ' ' CYS . . . . . . . . . . . . . 93.5 m -58.23 -46.43 85.92 Favored 'General case' 0 CA--C 1.545 0.76 0 C-N-CA 123.752 0.821 . . . . 10.0 112.351 179.031 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 21.6 t -52.65 -41.53 63.86 Favored 'General case' 0 N--CA 1.476 0.855 0 C-N-CA 125.724 1.61 . . . . 10.0 113.472 175.567 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . -60.87 -27.01 67.81 Favored 'General case' 0 CA--C 1.548 0.903 0 N-CA-C 114.229 1.196 . . . . 10.0 114.229 177.994 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 96' ' ' LYS . . . . . . . . . . . . . 43.2 mttm -69.05 106.26 2.72 Favored 'General case' 0 N--CA 1.475 0.823 0 C-N-CA 125.266 1.426 . . . . 10.0 111.559 -177.887 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 97' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -123.64 148.51 46.38 Favored 'General case' 0 N--CA 1.469 0.511 0 C-N-CA 126.291 1.836 . . . . 10.0 114.132 -173.978 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 98' ' ' CYS . . . . . . . . . . . . . 32.8 m -113.83 135.32 54.09 Favored 'General case' 0 N--CA 1.47 0.551 0 C-N-CA 124.615 1.166 . . . . 10.0 112.429 -177.289 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 99' ' ' ASP . . . . . . . . . . . . . 32.9 t70 -59.58 -38.65 81.77 Favored 'General case' 0 CA--C 1.542 0.652 0 C-N-CA 125.021 1.328 . . . . 10.0 113.063 177.536 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 100' ' ' PHE . . . . . . . . . . . . . 5.8 p90 -66.74 -15.23 63.4 Favored 'General case' 0 CA--C 1.543 0.695 0 N-CA-C 115.534 1.679 . . . . 10.0 115.534 -176.631 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 101' ' ' TRP . . . . . . . . . . . . . 31.4 m0 -57.82 129.07 40.24 Favored 'General case' 0 N--CA 1.473 0.675 0 CA-C-N 120.02 1.282 . . . . 10.0 114.035 -174.114 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 102' ' ' LEU . . . . . . . . . . . . . 2.3 pt? -146.98 179.09 7.85 Favored 'General case' 0 CA--C 1.545 0.759 0 C-N-CA 128.014 2.526 . . . . 10.0 111.369 -177.611 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 39.4 tt0 -63.08 121.1 12.77 Favored 'General case' 0 CA--C 1.546 0.792 0 C-N-CA 124.032 0.933 . . . . 10.0 111.525 170.437 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 104' ' ' ARG . . . . . . . . . . . . . 9.1 mmm180 -134.75 151.92 51.36 Favored 'General case' 0 N--CA 1.477 0.924 0 C-N-CA 126.277 1.831 . . . . 10.0 111.797 -179.727 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 105' ' ' GLY . . . . . . . . . . . . . . . 179.46 -176.72 47.9 Favored Glycine 0 CA--C 1.536 1.377 0 C-N-CA 125.731 1.634 . . . . 10.0 113.177 -179.404 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 106' ' ' ALA . . . . . . . . . . . . . . . -147.35 163.52 36.19 Favored 'General case' 0 CA--C 1.548 0.87 0 C-N-CA 126.216 1.806 . . . . 10.0 111.698 176.928 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 107' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.253 1.247 0 C-N-CA 126.404 1.882 . . . . 10.0 112.132 178.962 . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' A' A ' 1' ' ' ARG . . . . . . . . . . . . . 9.6 ptm180 . . . . . 0 N--CA 1.49 1.563 0 N-CA-C 111.395 0.146 . . . . 10.0 111.395 . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' A' A ' 2' ' ' VAL . . . . . . . . . . . . . 7.2 p -62.8 148.75 10.76 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.056 0 C-N-CA 124.398 1.079 . . . . 10.0 111.909 174.587 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -143.24 -176.0 4.75 Favored 'General case' 0 CA--C 1.545 0.762 0 C-N-CA 125.475 1.51 . . . . 10.0 112.272 -178.19 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 13.0 pt-20 -66.84 -15.44 63.62 Favored 'General case' 0 N--CA 1.475 0.798 0 C-N-CA 126.055 1.742 . . . . 10.0 113.966 172.48 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 5' ' ' ASN . . . . . . . . . . . . . 1.0 OUTLIER -121.92 59.56 0.99 Allowed 'General case' 0 CA--C 1.544 0.735 0 C-N-CA 126.327 1.851 . . . . 10.0 109.03 177.845 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 24.8 ptt-85 -86.4 146.37 41.95 Favored Pre-proline 0 N--CA 1.474 0.773 0 C-N-CA 127.925 2.49 . . . . 10.0 112.069 176.869 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 7' ' ' PRO . . . . . . . . . . . . . 73.4 Cg_exo -49.12 117.59 2.94 Favored 'Trans proline' 0 CA--C 1.54 0.799 0 C-N-CA 123.789 2.993 . . . . 10.0 113.087 176.42 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . 115.44 -20.37 13.82 Favored Glycine 0 CA--C 1.538 1.478 0 C-N-CA 127.252 2.358 . . . . 10.0 113.968 -170.681 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -59.86 134.99 57.55 Favored 'General case' 0 CA--C 1.544 0.732 0 CA-C-N 119.505 1.652 . . . . 10.0 113.19 -172.11 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 10' ' ' PHE . . . . . . . . . . . . . 21.1 m-85 -60.91 148.4 39.79 Favored 'General case' 0 CA--C 1.54 0.588 0 C-N-CA 123.598 0.759 . . . . 10.0 112.874 173.547 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 68.4 mt -118.67 98.23 6.21 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.519 0 C-N-CA 125.952 1.701 . . . . 10.0 106.562 169.623 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 85.6 mttt -93.1 97.5 10.72 Favored 'General case' 0 N--CA 1.473 0.701 0 C-N-CA 125.153 1.381 . . . . 10.0 110.383 -177.2 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 27.0 mt-30 -90.18 -16.1 30.16 Favored 'General case' 0 N--CA 1.472 0.667 0 C-N-CA 124.449 1.1 . . . . 10.0 112.486 174.548 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . 78.02 7.47 87.56 Favored Glycine 0 CA--C 1.537 1.439 0 C-N-CA 125.027 1.299 . . . . 10.0 114.429 -178.535 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 42.7 ttp180 -70.4 125.04 25.68 Favored 'General case' 0 N--CA 1.471 0.581 0 C-N-CA 126.711 2.004 . . . . 10.0 111.109 178.478 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 59.5 tttm -72.0 107.72 4.86 Favored 'General case' 0 N--CA 1.473 0.705 0 C-N-CA 124.83 1.252 . . . . 10.0 110.322 173.174 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 95.4 mt -75.28 172.75 11.88 Favored 'General case' 0 CA--C 1.544 0.713 0 C-N-CA 125.767 1.627 . . . . 10.0 112.538 178.233 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 19.1 t0 -123.09 91.06 3.41 Favored 'General case' 0 CA--C 1.541 0.625 0 C-N-CA 125.97 1.708 . . . . 10.0 110.191 175.141 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . 70.9 mt -133.14 126.32 52.91 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.634 0 C-N-CA 127.241 2.216 . . . . 10.0 107.804 -178.058 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 23.2 t0 -83.96 86.18 7.22 Favored 'General case' 0 CA--C 1.537 0.473 0 CA-C-O 122.026 0.917 . . . . 10.0 110.223 170.037 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 21' ' ' PHE . . . . . . . . . . . . . 86.3 m-85 -62.08 -46.4 89.24 Favored 'General case' 0 CA--C 1.539 0.543 0 C-N-CA 125.999 1.72 . . . . 10.0 110.944 170.32 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 132.7 162.65 10.34 Favored Glycine 0 CA--C 1.532 1.141 0 C-N-CA 127.359 2.409 . . . . 10.0 110.36 -169.578 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -42.96 -55.75 3.61 Favored 'General case' 0 CA--C 1.545 0.787 0 N-CA-C 115.414 1.635 . . . . 10.0 115.414 -169.805 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 8.4 mm-40 -64.12 -50.13 69.47 Favored 'General case' 0 N--CA 1.473 0.704 0 O-C-N 121.508 -0.745 . . . . 10.0 112.112 178.401 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -64.51 -39.6 96.97 Favored Glycine 0 CA--C 1.529 0.945 0 C-N-CA 124.291 0.948 . . . . 10.0 114.002 -177.058 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 89.3 m-20 -56.56 -51.14 69.73 Favored 'General case' 0 CA--C 1.535 0.392 0 C-N-CA 125.904 1.682 . . . . 10.0 110.251 172.937 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 69.3 mtm180 -63.72 -43.2 97.24 Favored 'General case' 0 N--CA 1.474 0.767 0 C-N-CA 123.599 0.76 . . . . 10.0 112.03 177.836 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 28' ' ' TYR . . . . . . . . . . . . . 77.0 t80 -59.54 -53.47 57.75 Favored 'General case' 0 CA--C 1.537 0.474 0 C-N-CA 123.996 0.918 . . . . 10.0 111.772 176.784 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 29' ' ' TYR . . . . . . . . . . . . . 77.4 t80 -57.12 -52.25 66.04 Favored 'General case' 0 CA--C 1.536 0.415 0 C-N-CA 124.752 1.221 . . . . 10.0 112.14 177.216 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -49.68 -36.6 25.59 Favored 'General case' 0 CA--C 1.547 0.836 0 N-CA-C 113.952 1.093 . . . . 10.0 113.952 176.813 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -85.36 -20.58 29.7 Favored 'General case' 0 CA--C 1.551 1.0 0 N-CA-C 115.219 1.563 . . . . 10.0 115.219 176.734 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 32' ' ' ASN . . . . . . . . . . . . . 60.9 m-80 -131.53 8.44 4.59 Favored 'General case' 0 N--CA 1.477 0.893 0 N-CA-C 116.65 2.093 . . . . 10.0 116.65 -169.185 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 33' ' ' TYR . . . . . . . . . . . . . 50.2 p90 -50.77 -29.64 12.06 Favored 'General case' 0 N--CA 1.478 0.971 0 C-N-CA 125.887 1.675 . . . . 10.0 115.269 -174.532 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 34' ' ' TRP . . . . . . . . . . . . . 64.8 p-90 -50.98 -34.64 29.85 Favored 'General case' 0 CA--C 1.545 0.781 0 C-N-CA 125.959 1.704 . . . . 10.0 114.335 173.335 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 31.3 mt-30 -70.46 -36.74 74.08 Favored 'General case' 0 N--CA 1.474 0.774 0 C-N-CA 124.676 1.191 . . . . 10.0 113.825 177.675 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 36' ' ' PHE . . . . . . . . . . . . . 78.0 m-85 -74.34 157.94 85.89 Favored Pre-proline 0 CA--C 1.546 0.812 0 C-N-CA 126.71 2.004 . . . . 10.0 114.976 -169.297 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 60.4 Cg_endo -73.37 156.55 50.4 Favored 'Trans proline' 0 CA--C 1.541 0.872 0 C-N-CA 123.719 2.946 . . . . 10.0 111.524 169.661 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 11.9 t70 -109.86 -38.28 5.4 Favored 'General case' 0 N--CA 1.473 0.676 0 C-N-CA 125.726 1.61 . . . . 10.0 111.03 171.232 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . -128.23 175.29 18.57 Favored Glycine 0 CA--C 1.535 1.312 0 C-N-CA 126.006 1.765 . . . . 10.0 111.993 169.795 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 40' ' ' ILE . . . . . . . . . . . . . 96.6 mt -135.32 125.61 43.78 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.679 0 C-N-CA 125.335 1.454 . . . . 10.0 108.524 174.611 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 41' ' ' TYR . . . . . . . . . . . . . 88.8 t80 -72.52 97.74 2.16 Favored 'General case' 0 CA--C 1.535 0.398 0 C-N-CA 124.222 1.009 . . . . 10.0 109.586 169.98 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 42' ' ' TYR . . . . . . . . . . . . . 63.4 t80 -150.73 133.31 15.68 Favored 'General case' 0 CA--C 1.534 0.362 0 C-N-CA 123.819 0.848 . . . . 10.0 111.337 174.675 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 48.7 mt-10 -128.97 64.98 1.45 Allowed 'General case' 0 CA--C 1.54 0.574 0 C-N-CA 125.747 1.619 . . . . 10.0 110.222 -175.764 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . -60.98 -44.85 97.67 Favored Glycine 0 CA--C 1.533 1.208 0 C-N-CA 125.22 1.391 . . . . 10.0 113.237 177.323 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 45' ' ' CYS . . . . . . . . . . . . . 56.7 m -61.11 135.49 57.78 Favored 'General case' 0 CA--C 1.541 0.605 0 C-N-CA 126.102 1.761 . . . . 10.0 113.757 179.404 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 22.8 t -147.3 -47.23 0.17 Allowed 'General case' 0 N--CA 1.473 0.675 0 C-N-CA 126.343 1.857 . . . . 10.0 111.218 176.907 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 11.4 pt-20 -137.06 158.53 44.25 Favored 'General case' 0 CA--C 1.542 0.641 0 C-N-CA 126.577 1.951 . . . . 10.0 111.852 179.71 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -52.61 -25.65 11.3 Favored 'General case' 0 CA--C 1.546 0.79 0 C-N-CA 126.202 1.801 . . . . 10.0 115.594 -175.206 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 74.6 m-20 -61.49 -30.78 70.83 Favored 'General case' 0 CA--C 1.544 0.738 0 C-N-CA 124.466 1.106 . . . . 10.0 113.27 174.07 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . 61.6 t -71.19 108.16 2.7 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.833 0 C-N-CA 124.359 1.064 . . . . 10.0 109.752 172.392 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 82.6 p -89.67 174.56 7.67 Favored 'General case' 0 N--CA 1.475 0.782 0 C-N-CA 124.78 1.232 . . . . 10.0 112.246 179.753 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 85.0 tttt -58.88 -57.04 14.79 Favored 'General case' 0 N--CA 1.472 0.628 0 C-N-CA 123.705 0.802 . . . . 10.0 111.434 169.807 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 12.2 pt-20 -51.79 -40.19 59.94 Favored 'General case' 0 N--CA 1.474 0.745 0 C-N-CA 124.412 1.085 . . . . 10.0 113.056 177.365 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 54' ' ' MET . . . . . . . . . . . . . 88.6 mtp -60.13 -54.17 49.13 Favored 'General case' 0 N--CA 1.47 0.573 0 C-N-CA 123.399 0.68 . . . . 10.0 111.492 169.331 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 8.3 tt -56.27 -49.74 73.38 Favored 'General case' 0 CA--C 1.533 0.309 0 CA-C-O 117.819 -1.086 . . . . 10.0 113.163 -178.977 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 56' ' ' VAL . . . . . 0.487 HG22 ' HA ' ' A' ' 94' ' ' SER . 22.6 t -55.58 -52.22 49.69 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.076 0 CA-C-N 120.431 1.468 . . . . 10.0 111.052 -177.455 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 57' ' ' THR . . . . . . . . . . . . . 31.8 m -59.99 -50.44 73.75 Favored 'General case' 0 N--CA 1.473 0.721 0 C-N-CA 124.976 1.311 . . . . 10.0 111.636 177.681 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 21.7 m -62.32 -38.4 89.29 Favored 'General case' 0 N--CA 1.472 0.627 0 C-N-CA 124.088 0.955 . . . . 10.0 112.569 179.676 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 59' ' ' CYS . . . . . . . . . . . . . 39.5 t -59.56 -50.05 75.41 Favored 'General case' 0 CA--C 1.534 0.355 0 C-N-CA 126.631 1.972 . . . . 10.0 112.253 173.427 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 60' ' ' VAL . . . . . . . . . . . . . 52.0 t -53.95 -50.01 56.14 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.028 0 CA-C-N 119.17 0.895 . . . . 10.0 111.37 171.74 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 61' ' ' ASN . . . . . . . . . . . . . 20.9 m-80 -58.79 -46.11 88.31 Favored 'General case' 0 CA--C 1.545 0.773 0 C-N-CA 124.58 1.152 . . . . 10.0 113.192 176.46 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -61.0 -47.58 85.82 Favored 'General case' 0 CA--C 1.537 0.479 0 C-N-CA 124.177 0.991 . . . . 10.0 111.271 175.179 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 63' ' ' THR . . . . . . . . . . . . . 31.0 m -55.18 -49.03 72.92 Favored 'General case' 0 N--CA 1.471 0.605 0 C-N-CA 125.287 1.435 . . . . 10.0 111.532 177.215 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 64' ' ' GLN . . . . . . . . . . . . . 66.5 mt-30 -49.56 -60.35 2.94 Favored 'General case' 0 N--CA 1.47 0.559 0 C-N-CA 124.821 1.248 . . . . 10.0 112.006 170.865 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -56.7 -42.05 78.43 Favored 'General case' 0 CA--C 1.544 0.724 0 C-N-CA 125.633 1.573 . . . . 10.0 113.817 -178.735 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -70.21 -46.5 64.41 Favored 'General case' 0 CA--C 1.54 0.574 0 C-N-CA 124.792 1.237 . . . . 10.0 113.879 -179.856 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 67' ' ' ASN . . . . . . . . . . . . . 9.7 m-80 -109.22 38.87 2.19 Favored 'General case' 0 CA--C 1.544 0.726 0 C-N-CA 124.445 1.098 . . . . 10.0 112.199 -169.692 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 68' ' ' GLN . . . . . . . . . . . . . 57.1 mt-30 -51.35 -48.07 62.57 Favored 'General case' 0 N--CA 1.471 0.622 0 C-N-CA 125.534 1.533 . . . . 10.0 112.912 -178.256 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -56.48 -46.33 80.49 Favored 'General case' 0 CA--C 1.543 0.684 0 C-N-CA 125.003 1.321 . . . . 10.0 113.32 179.724 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 8.1 mm-40 -56.07 -55.26 35.1 Favored 'General case' 0 N--CA 1.473 0.697 0 C-N-CA 124.986 1.314 . . . . 10.0 111.234 177.805 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 71' ' ' PHE . . . . . . . . . . . . . 25.2 m-85 -59.62 -50.58 73.33 Favored 'General case' 0 CA--C 1.536 0.441 0 C-N-CA 123.95 0.9 . . . . 10.0 112.0 176.603 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 70.4 m -54.61 -50.71 67.43 Favored 'General case' 0 N--CA 1.474 0.763 0 C-N-CA 125.206 1.403 . . . . 10.0 113.231 -179.487 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 73' ' ' ARG . . . . . . . . . . . . . 26.1 mtm105 -58.25 -53.55 57.06 Favored 'General case' 0 N--CA 1.475 0.818 0 C-N-CA 124.551 1.14 . . . . 10.0 112.41 177.017 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 42.1 mm-40 -69.45 -59.55 2.91 Favored 'General case' 0 CA--C 1.541 0.612 0 C-N-CA 124.28 1.032 . . . . 10.0 113.742 -175.896 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 85.5 tttt -46.17 -35.05 4.74 Favored 'General case' 0 N--CA 1.481 1.12 0 C-N-CA 127.65 2.38 . . . . 10.0 116.167 -169.701 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 76' ' ' GLN . . . . . . . . . . . . . 87.4 mm-40 -54.98 -27.61 45.35 Favored 'General case' 0 CA--C 1.546 0.802 0 C-N-CA 124.871 1.268 . . . . 10.0 114.252 176.999 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 32.2 t70 -135.76 -40.31 0.7 Allowed 'General case' 0 N--CA 1.475 0.778 0 C-N-CA 125.502 1.521 . . . . 10.0 113.549 -178.907 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -78.59 61.38 2.92 Favored 'General case' 0 CA--C 1.545 0.763 0 C-N-CA 127.714 2.406 . . . . 10.0 113.288 -169.993 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 88.0 tttt -53.75 -55.03 29.91 Favored 'General case' 0 N--CA 1.476 0.873 0 C-N-CA 126.826 2.05 . . . . 10.0 112.869 -176.853 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -55.58 -49.97 71.33 Favored 'General case' 0 N--CA 1.472 0.647 0 C-N-CA 124.95 1.3 . . . . 10.0 111.08 177.502 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 81' ' ' HIS . . . . . . . . . . . . . 13.0 t-160 -53.36 -54.0 42.94 Favored 'General case' 0 N--CA 1.468 0.451 0 C-N-CA 124.132 0.973 . . . . 10.0 112.147 -179.65 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 82' ' ' GLN . . . . . . . . . . . . . 93.7 mm-40 -50.87 -54.73 21.42 Favored 'General case' 0 N--CA 1.472 0.653 0 CA-C-N 118.891 0.769 . . . . 10.0 112.389 179.182 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 83' ' ' ARG . . . . . . . . . . . . . 3.6 tmt_? -50.59 -55.02 18.18 Favored 'General case' 0 N--CA 1.474 0.771 0 C-N-CA 125.043 1.337 . . . . 10.0 111.745 179.81 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 84' ' ' VAL . . . . . . . . . . . . . 44.7 t -60.43 -51.95 67.07 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.975 0 C-N-CA 126.085 1.754 . . . . 10.0 111.475 177.553 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 85' ' ' LEU . . . . . . . . . . . . . 50.3 tp -55.22 -49.19 72.59 Favored 'General case' 0 CA--C 1.537 0.478 0 C-N-CA 126.112 1.765 . . . . 10.0 112.722 179.016 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 86' ' ' TRP . . . . . . . . . . . . . 71.7 m95 -61.09 -42.63 98.86 Favored 'General case' 0 N--CA 1.468 0.471 0 N-CA-C 113.663 0.986 . . . . 10.0 113.663 175.678 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 87' ' ' ARG . . . . . . . . . . . . . 13.8 tpt180 -55.88 -50.21 71.26 Favored 'General case' 0 N--CA 1.475 0.778 0 CA-C-N 118.591 0.632 . . . . 10.0 111.267 169.895 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 88' ' ' LEU . . . . . . . . . . . . . 2.2 tt -55.55 -52.37 63.96 Favored 'General case' 0 CA--C 1.544 0.747 0 C-N-CA 124.78 1.232 . . . . 10.0 111.958 176.38 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 89' ' ' ILE . . . . . . . . . . . . . 72.9 mt -50.39 -51.05 19.64 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.703 0 C-N-CA 124.813 1.245 . . . . 10.0 110.938 173.742 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 39.4 ttmt -59.75 -44.84 93.65 Favored 'General case' 0 N--CA 1.472 0.66 0 C-N-CA 124.068 0.947 . . . . 10.0 113.27 176.242 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 76.7 mm-40 -52.24 -50.1 62.69 Favored 'General case' 0 N--CA 1.474 0.727 0 CA-C-N 119.74 1.154 . . . . 10.0 111.803 171.061 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 92' ' ' ILE . . . . . . . . . . . . . 97.4 mt -58.28 -56.23 17.41 Favored 'Isoleucine or valine' 0 N--CA 1.479 0.976 0 CA-C-N 119.422 1.01 . . . . 10.0 111.463 174.274 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 93' ' ' CYS . . . . . . . . . . . . . 92.4 m -56.74 -43.21 80.47 Favored 'General case' 0 CA--C 1.545 0.755 0 C-N-CA 124.715 1.206 . . . . 10.0 112.898 -177.399 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 94' ' ' SER . . . . . 0.487 ' HA ' HG22 ' A' ' 56' ' ' VAL . 78.9 p -71.43 -37.56 71.44 Favored 'General case' 0 N--CA 1.475 0.822 0 N-CA-C 114.219 1.192 . . . . 10.0 114.219 174.372 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . -64.16 -52.08 60.77 Favored 'General case' 0 CA--C 1.541 0.602 0 C-N-CA 124.324 1.049 . . . . 10.0 113.24 177.63 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 96' ' ' LYS . . . . . . . . . . . . . 6.9 ptmm? -60.51 136.08 57.94 Favored 'General case' 0 N--CA 1.478 0.956 0 C-N-CA 123.871 0.869 . . . . 10.0 112.792 -174.055 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 97' ' ' HIS . . . . . . . . . . . . . 10.7 m80 -124.37 168.24 13.29 Favored 'General case' 0 N--CA 1.481 1.082 0 C-N-CA 126.5 1.92 . . . . 10.0 113.254 -172.185 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 98' ' ' CYS . . . . . . . . . . . . . 57.2 m -127.64 138.03 52.71 Favored 'General case' 0 CA--C 1.538 0.512 0 C-N-CA 126.213 1.805 . . . . 10.0 111.857 -179.479 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 99' ' ' ASP . . . . . . . . . . . . . 31.5 t70 -57.97 -45.15 87.17 Favored 'General case' 0 N--CA 1.472 0.642 0 C-N-CA 125.423 1.489 . . . . 10.0 113.697 -173.177 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 100' ' ' PHE . . . . . . . . . . . . . 9.3 p90 -72.18 -12.13 61.04 Favored 'General case' 0 CA--C 1.542 0.671 0 N-CA-C 115.231 1.567 . . . . 10.0 115.231 -175.379 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 101' ' ' TRP . . . . . . . . . . . . . 32.3 m0 -55.96 119.16 5.41 Favored 'General case' 0 N--CA 1.474 0.763 0 CA-C-N 119.995 1.271 . . . . 10.0 112.792 -176.937 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 102' ' ' LEU . . . . . . . . . . . . . 72.2 mt -79.31 158.6 27.46 Favored 'General case' 0 CA--C 1.542 0.644 0 C-N-CA 126.392 1.877 . . . . 10.0 112.451 -170.508 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 38.4 tt0 -65.04 139.17 58.71 Favored 'General case' 0 CA--C 1.546 0.821 0 C-N-CA 124.561 1.145 . . . . 10.0 111.891 174.801 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 104' ' ' ARG . . . . . . . . . . . . . 80.2 mtp180 -130.92 151.42 51.35 Favored 'General case' 0 N--CA 1.478 0.963 0 C-N-CA 126.371 1.868 . . . . 10.0 111.32 179.34 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 105' ' ' GLY . . . . . . . . . . . . . . . -174.48 173.41 46.05 Favored Glycine 0 CA--C 1.535 1.326 0 C-N-CA 125.324 1.44 . . . . 10.0 113.184 -179.768 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 106' ' ' ALA . . . . . . . . . . . . . . . -146.65 165.26 30.11 Favored 'General case' 0 CA--C 1.547 0.855 0 C-N-CA 125.656 1.582 . . . . 10.0 112.312 -179.037 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 107' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.253 1.273 0 C-N-CA 125.697 1.599 . . . . 10.0 113.144 176.53 . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' A' A ' 1' ' ' ARG . . . . . . . . . . . . . 44.5 ttm105 . . . . . 0 N--CA 1.489 1.488 0 N-CA-C 110.126 -0.324 . . . . 10.0 110.126 . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' A' A ' 2' ' ' VAL . . . . . . . . . . . . . 59.5 t -65.01 124.03 19.07 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.082 0 C-N-CA 124.859 1.264 . . . . 10.0 110.64 178.934 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -70.04 158.07 36.36 Favored 'General case' 0 CA--C 1.543 0.692 0 C-N-CA 124.71 1.204 . . . . 10.0 113.27 178.404 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 10.4 pt-20 -67.5 130.71 43.91 Favored 'General case' 0 CA--C 1.541 0.614 0 C-N-CA 123.566 0.746 . . . . 10.0 111.259 169.738 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 5' ' ' ASN . . . . . . . . . . . . . 49.2 t30 -76.75 64.19 2.29 Favored 'General case' 0 CA--C 1.55 0.952 0 C-N-CA 124.408 1.083 . . . . 10.0 111.804 177.798 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 12.3 ptp180 -76.28 151.14 83.34 Favored Pre-proline 0 N--CA 1.477 0.888 0 C-N-CA 124.901 1.281 . . . . 10.0 111.745 171.3 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 7' ' ' PRO . . . . . . . . . . . . . 74.0 Cg_exo -48.84 121.12 6.15 Favored 'Trans proline' 0 CA--C 1.539 0.75 0 C-N-CA 123.403 2.735 . . . . 10.0 112.341 172.377 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . 112.4 -18.16 23.24 Favored Glycine 0 CA--C 1.538 1.477 0 C-N-CA 126.597 2.046 . . . . 10.0 114.462 -170.482 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -61.36 134.11 56.56 Favored 'General case' 0 CA--C 1.546 0.8 0 CA-C-N 119.609 1.704 . . . . 10.0 113.019 -174.055 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 10' ' ' PHE . . . . . . . . . . . . . 23.0 m-85 -61.54 150.84 34.74 Favored 'General case' 0 CA--C 1.542 0.669 0 C-N-CA 124.042 0.937 . . . . 10.0 112.884 175.027 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 81.6 mt -123.94 116.27 47.49 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.426 0 C-N-CA 125.8 1.64 . . . . 10.0 106.836 169.655 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 92.3 mttt -123.68 106.89 10.91 Favored 'General case' 0 N--CA 1.472 0.659 0 C-N-CA 126.496 1.918 . . . . 10.0 110.284 -172.918 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 34.3 mt-30 -120.55 -0.89 10.19 Favored 'General case' 0 CA--C 1.545 0.763 0 C-N-CA 128.097 2.559 . . . . 10.0 112.595 -169.972 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . 66.75 37.17 92.17 Favored Glycine 0 CA--C 1.535 1.306 0 C-N-CA 125.133 1.349 . . . . 10.0 112.786 -174.116 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 33.0 ttp85 -103.91 93.96 5.16 Favored 'General case' 0 N--CA 1.471 0.62 0 C-N-CA 126.192 1.797 . . . . 10.0 110.893 -171.476 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 72.6 tttt -64.32 124.08 20.8 Favored 'General case' 0 N--CA 1.473 0.7 0 C-N-CA 125.765 1.626 . . . . 10.0 110.17 174.217 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 2.7 pp -134.5 165.91 24.09 Favored 'General case' 0 N--CA 1.474 0.736 0 C-N-CA 124.734 1.214 . . . . 10.0 113.569 -174.494 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 22.3 t70 -100.08 106.94 18.73 Favored 'General case' 0 CA--C 1.543 0.707 0 C-N-CA 124.711 1.205 . . . . 10.0 113.261 -169.663 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . 73.4 mt -135.78 131.13 50.12 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.778 0 C-N-CA 127.43 2.292 . . . . 10.0 108.076 172.409 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 22.4 t0 -87.48 85.45 7.12 Favored 'General case' 0 N--CA 1.471 0.577 0 CA-C-O 121.982 0.896 . . . . 10.0 110.683 171.457 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 21' ' ' PHE . . . . . . . . . . . . . 79.6 m-85 -63.48 -41.74 98.57 Favored 'General case' 0 CA--C 1.541 0.598 0 C-N-CA 126.725 2.01 . . . . 10.0 112.008 172.796 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 130.76 159.28 9.56 Favored Glycine 0 CA--C 1.532 1.139 0 C-N-CA 127.479 2.466 . . . . 10.0 110.303 -169.582 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -42.21 -57.11 2.64 Favored 'General case' 0 CA--C 1.547 0.851 0 N-CA-C 115.398 1.629 . . . . 10.0 115.398 -169.739 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 46.9 mt-10 -63.61 -48.04 78.96 Favored 'General case' 0 N--CA 1.474 0.773 0 C-N-CA 124.221 1.008 . . . . 10.0 112.284 178.754 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -65.17 -39.26 96.06 Favored Glycine 0 CA--C 1.532 1.142 0 C-N-CA 124.539 1.066 . . . . 10.0 114.183 -179.368 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 91.0 m-20 -57.11 -52.14 66.48 Favored 'General case' 0 CA--C 1.534 0.364 0 C-N-CA 125.995 1.718 . . . . 10.0 110.212 173.752 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 80.2 mtp180 -58.92 -46.47 87.84 Favored 'General case' 0 N--CA 1.474 0.751 0 C-N-CA 125.056 1.342 . . . . 10.0 111.691 176.103 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 28' ' ' TYR . . . . . . . . . . . . . 79.8 t80 -59.22 -54.62 44.77 Favored 'General case' 0 CA--C 1.536 0.415 0 C-N-CA 124.403 1.081 . . . . 10.0 111.976 178.106 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 29' ' ' TYR . . . . . . . . . . . . . 87.1 t80 -56.32 -51.4 68.38 Favored 'General case' 0 CA--C 1.535 0.39 0 C-N-CA 124.319 1.048 . . . . 10.0 112.324 175.662 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -51.1 -34.03 28.73 Favored 'General case' 0 CA--C 1.546 0.797 0 N-CA-C 113.678 0.992 . . . . 10.0 113.678 178.954 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -88.23 -28.55 21.07 Favored 'General case' 0 CA--C 1.552 1.035 0 C-N-CA 125.836 1.654 . . . . 10.0 115.087 176.026 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 32' ' ' ASN . . . . . . . . . . . . . 52.2 m-80 -124.41 12.47 8.75 Favored 'General case' 0 CA--C 1.548 0.9 0 N-CA-C 116.263 1.949 . . . . 10.0 116.263 -169.231 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 33' ' ' TYR . . . . . . . . . . . . . 53.4 p90 -47.91 -34.68 9.37 Favored 'General case' 0 N--CA 1.476 0.859 0 C-N-CA 126.828 2.051 . . . . 10.0 114.957 -177.21 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 34' ' ' TRP . . . . . . . . . . . . . 66.5 p-90 -49.89 -33.95 18.78 Favored 'General case' 0 CA--C 1.545 0.765 0 C-N-CA 126.356 1.862 . . . . 10.0 114.388 176.112 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 32.1 mt-30 -68.97 -38.58 79.45 Favored 'General case' 0 N--CA 1.472 0.654 0 C-N-CA 124.634 1.174 . . . . 10.0 113.756 177.575 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 36' ' ' PHE . . . . . . . . . . . . . 72.5 m-85 -73.64 151.6 89.24 Favored Pre-proline 0 CA--C 1.545 0.764 0 C-N-CA 126.161 1.784 . . . . 10.0 115.2 -169.008 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 83.1 Cg_endo -74.76 116.74 4.7 Favored 'Trans proline' 0 CA--C 1.537 0.652 0 C-N-CA 123.692 2.928 . . . . 10.0 108.898 168.798 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 4.2 p30 -80.57 -30.3 37.0 Favored 'General case' 0 N--CA 1.473 0.687 0 O-C-N 121.353 -0.842 . . . . 10.0 111.764 173.877 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . -124.55 167.42 16.88 Favored Glycine 0 CA--C 1.536 1.355 0 C-N-CA 125.037 1.303 . . . . 10.0 111.742 169.194 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 40' ' ' ILE . . . . . . . . . . . . . 86.0 mt -138.66 125.19 25.25 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.764 0 C-N-CA 124.947 1.299 . . . . 10.0 108.442 172.509 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 41' ' ' TYR . . . . . . . . . . . . . 75.0 t80 -71.85 102.94 3.0 Favored 'General case' 0 CA--C 1.536 0.424 0 C-N-CA 123.695 0.798 . . . . 10.0 109.832 169.892 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 42' ' ' TYR . . . . . . . . . . . . . 87.4 t80 -156.61 137.56 13.51 Favored 'General case' 0 C--O 1.236 0.361 0 C-N-CA 124.878 1.271 . . . . 10.0 110.172 173.171 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 45.4 mt-10 -133.01 76.16 1.67 Allowed 'General case' 0 CA--C 1.54 0.558 0 C-N-CA 125.569 1.548 . . . . 10.0 110.494 -175.245 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . -72.48 -30.42 64.48 Favored Glycine 0 CA--C 1.535 1.293 0 C-N-CA 125.091 1.329 . . . . 10.0 114.235 -179.782 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 45' ' ' CYS . . . . . . . . . . . . . 74.7 m -58.29 121.14 10.04 Favored 'General case' 0 CA--C 1.543 0.688 0 C-N-CA 125.858 1.663 . . . . 10.0 112.796 -178.137 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 16.5 p -139.94 -59.47 0.55 Allowed 'General case' 0 N--CA 1.473 0.693 0 C-N-CA 126.189 1.796 . . . . 10.0 111.855 176.912 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 11.9 pt-20 -144.91 156.1 43.8 Favored 'General case' 0 N--CA 1.473 0.693 0 C-N-CA 125.679 1.592 . . . . 10.0 112.79 179.679 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -55.05 -23.02 18.02 Favored 'General case' 0 CA--C 1.543 0.704 0 N-CA-C 115.742 1.756 . . . . 10.0 115.742 -175.414 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 73.9 m-20 -59.57 -31.39 69.4 Favored 'General case' 0 CA--C 1.545 0.77 0 C-N-CA 123.774 0.83 . . . . 10.0 112.944 171.943 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . 60.4 t -67.84 109.88 1.75 Allowed 'Isoleucine or valine' 0 N--CA 1.474 0.758 0 C-N-CA 124.717 1.207 . . . . 10.0 109.345 169.89 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 41.9 p -80.7 172.01 14.3 Favored 'General case' 0 N--CA 1.475 0.784 0 C-N-CA 123.591 0.756 . . . . 10.0 111.513 174.452 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 83.8 tttt -60.53 -49.56 77.08 Favored 'General case' 0 N--CA 1.471 0.599 0 O-C-N 121.368 -0.832 . . . . 10.0 111.429 169.823 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 44.4 mt-10 -51.58 -47.77 63.39 Favored 'General case' 0 N--CA 1.473 0.705 0 C-N-CA 123.849 0.86 . . . . 10.0 112.216 175.756 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 54' ' ' MET . . . . . . . . . . . . . 94.8 mtp -55.29 -55.61 29.49 Favored 'General case' 0 N--CA 1.469 0.485 0 C-N-CA 124.098 0.959 . . . . 10.0 112.228 171.303 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 9.5 tt -58.54 -54.02 51.79 Favored 'General case' 0 N--CA 1.466 0.374 0 C-N-CA 123.954 0.901 . . . . 10.0 112.883 -177.746 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 29.3 t -58.87 -45.98 91.42 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.922 0 C-N-CA 124.034 0.934 . . . . 10.0 110.732 -177.238 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 57' ' ' THR . . . . . . . . . . . . . 61.4 m -57.62 -51.75 68.25 Favored 'General case' 0 N--CA 1.477 0.886 0 C-N-CA 124.367 1.067 . . . . 10.0 111.919 172.77 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 48.6 m -60.2 -40.93 91.81 Favored 'General case' 0 N--CA 1.474 0.75 0 C-N-CA 124.522 1.129 . . . . 10.0 112.683 179.057 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 59' ' ' CYS . . . . . . . . . . . . . 43.0 t -59.39 -50.24 74.74 Favored 'General case' 0 CA--C 1.536 0.436 0 C-N-CA 126.204 1.801 . . . . 10.0 112.381 172.991 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 60' ' ' VAL . . . . . . . . . . . . . 39.9 t -56.34 -43.84 78.26 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.95 0 C-N-CA 124.488 1.115 . . . . 10.0 111.785 172.638 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 61' ' ' ASN . . . . . . . . . . . . . 12.6 m-80 -61.31 -47.27 86.71 Favored 'General case' 0 CA--C 1.544 0.724 0 C-N-CA 124.414 1.086 . . . . 10.0 112.956 173.26 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -60.09 -46.5 89.4 Favored 'General case' 0 CA--C 1.537 0.473 0 C-N-CA 124.251 1.02 . . . . 10.0 111.496 175.968 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 63' ' ' THR . . . . . . . . . . . . . 30.9 m -55.04 -50.94 67.84 Favored 'General case' 0 N--CA 1.473 0.695 0 C-N-CA 125.264 1.425 . . . . 10.0 111.369 176.356 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 64' ' ' GLN . . . . . . . . . . . . . 42.2 mt-30 -51.21 -59.49 4.14 Favored 'General case' 0 CA--C 1.539 0.533 0 C-N-CA 124.222 1.009 . . . . 10.0 111.663 171.927 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -55.7 -42.85 75.83 Favored 'General case' 0 CA--C 1.544 0.727 0 C-N-CA 126.06 1.744 . . . . 10.0 113.971 -177.405 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -69.26 -34.95 75.56 Favored 'General case' 0 CA--C 1.544 0.716 0 C-N-CA 124.692 1.197 . . . . 10.0 113.984 178.543 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 67' ' ' ASN . . . . . . . . . . . . . 11.5 m-80 -122.68 41.09 3.53 Favored 'General case' 0 CA--C 1.548 0.899 0 C-N-CA 124.281 1.032 . . . . 10.0 112.568 -170.2 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 68' ' ' GLN . . . . . . . . . . . . . 61.4 mt-30 -55.63 -54.14 47.78 Favored 'General case' 0 N--CA 1.475 0.776 0 C-N-CA 125.398 1.479 . . . . 10.0 112.923 -174.468 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -55.89 -45.82 78.49 Favored 'General case' 0 CA--C 1.541 0.598 0 C-N-CA 124.828 1.251 . . . . 10.0 112.612 -179.677 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 21.7 mp0 -57.19 -54.58 45.13 Favored 'General case' 0 CA--C 1.537 0.47 0 C-N-CA 125.688 1.595 . . . . 10.0 111.381 -179.631 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 71' ' ' PHE . . . . . . . . . . . . . 47.2 m-85 -58.93 -53.17 61.38 Favored 'General case' 0 N--CA 1.468 0.451 0 C-N-CA 123.687 0.795 . . . . 10.0 112.264 174.043 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 32.2 t -52.11 -57.77 8.57 Favored 'General case' 0 N--CA 1.469 0.518 0 C-N-CA 125.352 1.461 . . . . 10.0 112.638 -177.357 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 73' ' ' ARG . . . . . . . . . . . . . 76.2 mtp85 -56.9 -49.08 76.66 Favored 'General case' 0 N--CA 1.476 0.833 0 C-N-CA 125.831 1.652 . . . . 10.0 112.664 179.942 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 50.9 tp10 -57.92 -55.24 37.43 Favored 'General case' 0 CA--C 1.543 0.682 0 C-N-CA 124.903 1.281 . . . . 10.0 111.913 177.654 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 61.3 tttm -58.4 -19.84 39.32 Favored 'General case' 0 N--CA 1.475 0.814 0 C-N-CA 127.115 2.166 . . . . 10.0 115.109 -176.707 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 76' ' ' GLN . . . . . . . . . . . . . 76.9 mm-40 -55.53 -36.09 66.39 Favored 'General case' 0 N--CA 1.476 0.858 0 CA-C-N 119.514 1.052 . . . . 10.0 113.175 172.966 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 31.8 t70 -126.01 -41.42 1.95 Allowed 'General case' 0 CA--C 1.542 0.66 0 C-N-CA 125.552 1.541 . . . . 10.0 113.056 -174.467 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 1.8 t -66.65 145.13 55.9 Favored 'General case' 0 CA--C 1.537 0.476 0 C-N-CA 125.451 1.5 . . . . 10.0 113.536 -175.798 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 65.4 tttm -121.33 -77.76 0.59 Allowed 'General case' 0 N--CA 1.476 0.844 0 C-N-CA 125.838 1.655 . . . . 10.0 111.944 -178.104 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 51.8 tp -56.3 -40.91 75.08 Favored 'General case' 0 N--CA 1.473 0.702 0 C-N-CA 124.801 1.241 . . . . 10.0 112.654 -177.83 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 81' ' ' HIS . . . . . . . . . . . . . 13.9 t-160 -49.78 -51.66 37.67 Favored 'General case' 0 N--CA 1.47 0.535 0 C-N-CA 123.916 0.887 . . . . 10.0 112.252 -178.523 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 82' ' ' GLN . . . . . . . . . . . . . 99.2 mm-40 -50.49 -54.39 22.59 Favored 'General case' 0 N--CA 1.472 0.634 0 C-N-CA 124.682 1.193 . . . . 10.0 112.118 177.999 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 83' ' ' ARG . . . . . . . . . . . . . 53.2 tpt85 -53.27 -47.22 69.3 Favored 'General case' 0 N--CA 1.477 0.9 0 C-N-CA 124.876 1.27 . . . . 10.0 112.973 -179.765 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 84' ' ' VAL . . . . . . . . . . . . . 25.2 t -67.27 -52.65 40.33 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.864 0 C-N-CA 125.959 1.703 . . . . 10.0 110.939 177.088 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 85' ' ' LEU . . . . . . . . . . . . . 56.1 tp -54.46 -51.32 65.35 Favored 'General case' 0 N--CA 1.467 0.422 0 C-N-CA 127.096 2.158 . . . . 10.0 112.559 -179.568 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 86' ' ' TRP . . . . . . . . . . . . . 73.7 m95 -60.72 -43.63 97.63 Favored 'General case' 0 N--CA 1.465 0.309 0 N-CA-C 113.456 0.91 . . . . 10.0 113.456 176.684 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 87' ' ' ARG . . . . . . . . . . . . . 13.8 tpt180 -54.23 -49.3 69.77 Favored 'General case' 0 N--CA 1.476 0.834 0 CA-C-N 118.981 0.809 . . . . 10.0 111.183 170.186 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 88' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -55.4 -51.26 67.44 Favored 'General case' 0 CA--C 1.545 0.752 0 C-N-CA 124.354 1.062 . . . . 10.0 112.145 175.851 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 89' ' ' ILE . . . . . . . . . . . . . 90.7 mt -52.61 -52.51 26.31 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.738 0 C-N-CA 124.683 1.193 . . . . 10.0 110.931 173.962 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 12.5 mptt -55.3 -48.31 74.28 Favored 'General case' 0 N--CA 1.476 0.832 0 CA-C-N 119.2 0.909 . . . . 10.0 113.057 174.871 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 62.5 mm-40 -54.22 -49.31 69.71 Favored 'General case' 0 N--CA 1.473 0.719 0 CA-C-N 119.462 1.028 . . . . 10.0 112.128 175.013 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 92' ' ' ILE . . . . . . . . . . . . . 96.7 mt -57.64 -52.71 54.08 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.863 0 C-N-CA 124.0 0.92 . . . . 10.0 111.364 173.629 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 93' ' ' CYS . . . . . . . . . . . . . 68.3 m -57.61 -41.13 80.64 Favored 'General case' 0 CA--C 1.546 0.824 0 C-N-CA 124.33 1.052 . . . . 10.0 112.689 179.72 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 33.1 t -60.05 -47.09 87.32 Favored 'General case' 0 N--CA 1.473 0.678 0 C-N-CA 126.373 1.869 . . . . 10.0 112.682 170.728 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . -60.52 -40.07 90.11 Favored 'General case' 0 CA--C 1.544 0.735 0 C-N-CA 125.425 1.49 . . . . 10.0 114.555 -175.218 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 96' ' ' LYS . . . . . . . . . . . . . 1.2 ptpm? -72.52 55.51 0.35 Allowed 'General case' 0 N--CA 1.485 1.321 0 C-N-CA 125.896 1.678 . . . . 10.0 113.948 -179.781 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 97' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -64.4 143.44 57.9 Favored 'General case' 0 N--CA 1.472 0.67 0 C-N-CA 126.889 2.076 . . . . 10.0 113.903 -179.173 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 98' ' ' CYS . . . . . . . . . . . . . 55.8 m -80.53 140.29 35.91 Favored 'General case' 0 CA--C 1.539 0.522 0 C-N-CA 123.635 0.774 . . . . 10.0 112.8 178.077 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 99' ' ' ASP . . . . . . . . . . . . . 32.1 t70 -62.48 -39.43 93.43 Favored 'General case' 0 CA--C 1.543 0.703 0 C-N-CA 124.866 1.266 . . . . 10.0 113.015 176.409 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 100' ' ' PHE . . . . . . . . . . . . . 7.0 p90 -69.15 -15.45 63.41 Favored 'General case' 0 CA--C 1.543 0.701 0 N-CA-C 115.449 1.648 . . . . 10.0 115.449 -177.12 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 101' ' ' TRP . . . . . . . . . . . . . 46.6 m0 -58.41 136.27 57.42 Favored 'General case' 0 N--CA 1.474 0.731 0 CA-C-N 119.917 1.235 . . . . 10.0 111.497 175.905 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 102' ' ' LEU . . . . . . . . . . . . . 2.6 pt? -137.24 164.19 29.12 Favored 'General case' 0 CA--C 1.541 0.631 0 C-N-CA 126.269 1.828 . . . . 10.0 113.761 -169.049 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 49.5 mt-10 -70.8 115.87 10.45 Favored 'General case' 0 N--CA 1.477 0.894 0 C-N-CA 124.574 1.149 . . . . 10.0 110.32 171.134 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 104' ' ' ARG . . . . . . . . . . . . . 35.3 ptt180 -153.0 170.92 19.22 Favored 'General case' 0 N--CA 1.474 0.735 0 C-N-CA 125.522 1.529 . . . . 10.0 112.448 -177.088 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 105' ' ' GLY . . . . . . . . . . . . . . . -166.42 -161.03 14.55 Favored Glycine 0 CA--C 1.535 1.328 0 C-N-CA 125.708 1.623 . . . . 10.0 112.602 178.834 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 106' ' ' ALA . . . . . . . . . . . . . . . -141.12 155.29 46.13 Favored 'General case' 0 CA--C 1.545 0.781 0 C-N-CA 125.465 1.506 . . . . 10.0 112.184 -179.212 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 107' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.253 1.271 0 C-N-CA 126.754 2.022 . . . . 10.0 112.0 -179.148 . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' A' A ' 1' ' ' ARG . . . . . . . . . . . . . 1.1 tmt_? . . . . . 0 N--CA 1.489 1.51 0 N-CA-C 109.188 -0.671 . . . . 10.0 109.188 . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' A' A ' 2' ' ' VAL . . . . . . . . . . . . . 7.5 p -68.34 150.44 10.83 Favored 'Isoleucine or valine' 0 N--CA 1.484 1.226 0 C-N-CA 124.857 1.263 . . . . 10.0 112.097 179.164 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -66.8 135.09 53.41 Favored 'General case' 0 CA--C 1.544 0.749 0 O-C-N 121.219 -0.925 . . . . 10.0 111.642 172.319 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 1.4 pm0 -66.6 -17.27 64.74 Favored 'General case' 0 N--CA 1.476 0.842 0 C-N-CA 124.814 1.246 . . . . 10.0 113.628 174.011 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 5' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER -127.67 59.96 1.44 Allowed 'General case' 0 CA--C 1.547 0.838 0 C-N-CA 126.339 1.856 . . . . 10.0 109.478 169.972 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 7.9 ptm180 -69.66 159.89 81.95 Favored Pre-proline 0 N--CA 1.477 0.883 0 C-N-CA 125.099 1.36 . . . . 10.0 112.631 174.632 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 7' ' ' PRO . . . . . . . . . . . . . 87.9 Cg_exo -47.61 122.78 7.29 Favored 'Trans proline' 0 CA--C 1.538 0.683 0 C-N-CA 123.608 2.872 . . . . 10.0 112.326 169.915 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . 115.75 -21.22 12.71 Favored Glycine 0 CA--C 1.537 1.459 0 C-N-CA 127.326 2.393 . . . . 10.0 113.69 -169.851 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -60.44 134.44 57.07 Favored 'General case' 0 CA--C 1.546 0.807 0 CA-C-N 119.465 1.632 . . . . 10.0 113.462 -172.117 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 10' ' ' PHE . . . . . . . . . . . . . 20.5 m-85 -60.86 148.96 37.62 Favored 'General case' 0 CA--C 1.542 0.638 0 C-N-CA 124.156 0.982 . . . . 10.0 113.262 174.742 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 66.1 mt -122.45 97.22 4.63 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.504 0 C-N-CA 126.118 1.767 . . . . 10.0 107.111 169.654 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 93.0 mttt -92.17 85.44 5.46 Favored 'General case' 0 N--CA 1.473 0.697 0 C-N-CA 125.049 1.34 . . . . 10.0 111.197 -176.407 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 27.2 mt-30 -76.94 -27.75 54.96 Favored 'General case' 0 N--CA 1.473 0.676 0 C-N-CA 123.624 0.77 . . . . 10.0 111.339 169.729 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . 76.88 17.42 79.86 Favored Glycine 0 CA--C 1.536 1.369 0 C-N-CA 125.044 1.307 . . . . 10.0 113.993 -179.052 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 38.6 ttp180 -69.77 132.31 45.89 Favored 'General case' 0 N--CA 1.47 0.574 0 C-N-CA 126.562 1.945 . . . . 10.0 110.727 176.29 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 73.6 tttt -77.27 99.53 5.53 Favored 'General case' 0 N--CA 1.473 0.698 0 C-N-CA 124.983 1.313 . . . . 10.0 110.691 178.287 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 90.7 mt -74.1 174.89 8.03 Favored 'General case' 0 CA--C 1.544 0.748 0 C-N-CA 126.014 1.726 . . . . 10.0 112.854 -178.783 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 19.2 t0 -125.4 93.84 3.98 Favored 'General case' 0 CA--C 1.542 0.635 0 C-N-CA 125.94 1.696 . . . . 10.0 110.337 174.789 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . 85.7 mt -134.37 134.69 54.71 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.693 0 C-N-CA 127.411 2.285 . . . . 10.0 108.602 -179.11 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 24.2 t0 -85.97 101.12 12.62 Favored 'General case' 0 CA--C 1.537 0.474 0 CA-C-O 121.823 0.821 . . . . 10.0 109.226 169.247 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 21' ' ' PHE . . . . . . . . . . . . . 82.3 m-85 -80.41 -36.86 33.2 Favored 'General case' 0 CA--C 1.539 0.548 0 C-N-CA 126.594 1.957 . . . . 10.0 111.521 171.82 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 124.15 165.71 12.3 Favored Glycine 0 CA--C 1.534 1.259 0 C-N-CA 127.463 2.459 . . . . 10.0 110.698 -169.731 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -48.58 -47.14 39.88 Favored 'General case' 0 CA--C 1.545 0.788 0 N-CA-C 115.266 1.58 . . . . 10.0 115.266 -170.195 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 35.3 mt-10 -62.68 -55.45 26.69 Favored 'General case' 0 N--CA 1.473 0.687 0 C-N-CA 125.82 1.648 . . . . 10.0 111.498 175.333 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -68.69 -36.86 83.74 Favored Glycine 0 CA--C 1.528 0.894 0 C-N-CA 125.031 1.3 . . . . 10.0 114.141 -173.793 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 91.3 m-20 -57.26 -51.15 70.52 Favored 'General case' 0 CA--C 1.536 0.409 0 C-N-CA 125.476 1.511 . . . . 10.0 109.997 173.799 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 77.2 mtt85 -59.98 -47.48 85.66 Favored 'General case' 0 N--CA 1.477 0.876 0 C-N-CA 124.369 1.067 . . . . 10.0 112.127 175.462 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 28' ' ' TYR . . . . . . . . . . . . . 75.5 t80 -59.36 -54.42 46.99 Favored 'General case' 0 CA--C 1.536 0.435 0 C-N-CA 124.246 1.019 . . . . 10.0 112.407 178.526 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 29' ' ' TYR . . . . . . . . . . . . . 77.1 t80 -56.63 -50.94 70.55 Favored 'General case' 0 CA--C 1.533 0.323 0 C-N-CA 124.692 1.197 . . . . 10.0 112.104 177.785 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -49.65 -31.59 11.27 Favored 'General case' 0 CA--C 1.547 0.836 0 N-CA-C 114.089 1.144 . . . . 10.0 114.089 176.545 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -92.26 -25.93 18.39 Favored 'General case' 0 CA--C 1.552 1.04 0 C-N-CA 126.086 1.754 . . . . 10.0 115.17 176.812 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 32' ' ' ASN . . . . . . . . . . . . . 57.7 m-80 -124.96 6.76 7.98 Favored 'General case' 0 N--CA 1.478 0.97 0 N-CA-C 116.238 1.94 . . . . 10.0 116.238 -169.314 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 33' ' ' TYR . . . . . . . . . . . . . 52.3 p90 -45.04 -36.18 3.37 Favored 'General case' 0 N--CA 1.477 0.886 0 C-N-CA 127.461 2.304 . . . . 10.0 115.375 -176.841 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 34' ' ' TRP . . . . . . . . . . . . . 62.5 p-90 -49.83 -35.25 22.34 Favored 'General case' 0 CA--C 1.546 0.804 0 C-N-CA 126.466 1.906 . . . . 10.0 114.688 176.628 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 32.0 mt-30 -70.2 -35.47 73.95 Favored 'General case' 0 N--CA 1.475 0.819 0 N-CA-C 114.244 1.202 . . . . 10.0 114.244 179.139 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 36' ' ' PHE . . . . . . . . . . . . . 76.8 m-85 -72.65 155.05 91.27 Favored Pre-proline 0 CA--C 1.544 0.749 0 C-N-CA 126.331 1.852 . . . . 10.0 115.341 -168.945 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 83.8 Cg_endo -73.41 135.15 21.84 Favored 'Trans proline' 0 CA--C 1.541 0.861 0 C-N-CA 123.492 2.795 . . . . 10.0 110.241 169.457 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 5.4 t70 -86.08 -37.15 19.16 Favored 'General case' 0 CA--C 1.541 0.633 0 C-N-CA 124.875 1.27 . . . . 10.0 111.381 171.615 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . -133.19 173.93 20.84 Favored Glycine 0 CA--C 1.531 1.082 0 C-N-CA 125.788 1.661 . . . . 10.0 112.161 173.273 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 40' ' ' ILE . . . . . . . . . . . . . 96.1 mt -135.84 123.82 36.56 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.575 0 C-N-CA 125.216 1.406 . . . . 10.0 108.32 175.887 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 41' ' ' TYR . . . . . . . . . . . . . 85.9 t80 -70.44 105.7 3.15 Favored 'General case' 0 CA--C 1.535 0.375 0 C-N-CA 124.907 1.283 . . . . 10.0 109.704 172.695 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 42' ' ' TYR . . . . . . . . . . . . . 61.3 t80 -152.47 144.12 23.51 Favored 'General case' 0 CA--C 1.538 0.482 0 C-N-CA 123.773 0.829 . . . . 10.0 111.934 179.263 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 53.2 mt-10 -132.71 84.07 2.12 Favored 'General case' 0 N--CA 1.471 0.614 0 C-N-CA 125.806 1.643 . . . . 10.0 110.362 -176.83 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . -84.19 -56.84 2.48 Favored Glycine 0 CA--C 1.534 1.23 0 C-N-CA 124.961 1.267 . . . . 10.0 113.624 -176.466 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 45' ' ' CYS . . . . . . . . . . . . . 20.0 m -63.46 141.9 58.59 Favored 'General case' 0 CA--C 1.54 0.586 0 C-N-CA 125.524 1.53 . . . . 10.0 114.14 -176.24 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 50.5 p -145.52 -52.61 0.27 Allowed 'General case' 0 N--CA 1.471 0.62 0 C-N-CA 126.769 2.027 . . . . 10.0 111.362 178.343 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 11.2 pt-20 -139.63 162.14 35.82 Favored 'General case' 0 CA--C 1.542 0.65 0 C-N-CA 126.822 2.049 . . . . 10.0 112.454 178.58 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -51.3 -28.51 12.24 Favored 'General case' 0 CA--C 1.545 0.771 0 C-N-CA 126.56 1.944 . . . . 10.0 115.769 -174.891 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 72.0 m-20 -62.2 -29.82 70.64 Favored 'General case' 0 CA--C 1.546 0.798 0 C-N-CA 124.516 1.126 . . . . 10.0 113.503 175.515 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . 59.4 t -69.95 112.33 4.66 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.882 0 C-N-CA 124.627 1.171 . . . . 10.0 109.75 172.97 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 34.5 p -90.24 172.94 8.43 Favored 'General case' 0 N--CA 1.478 0.959 0 C-N-CA 123.862 0.865 . . . . 10.0 112.321 -179.842 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 82.2 tttt -62.27 -48.38 80.17 Favored 'General case' 0 N--CA 1.472 0.648 0 O-C-N 121.411 -0.806 . . . . 10.0 111.679 169.765 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 44.7 mt-10 -52.6 -46.22 66.87 Favored 'General case' 0 N--CA 1.473 0.677 0 C-N-CA 124.157 0.983 . . . . 10.0 112.072 175.65 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 54' ' ' MET . . . . . . . . . . . . . 94.0 mtp -55.82 -58.81 6.29 Favored 'General case' 0 CA--C 1.536 0.439 0 C-N-CA 124.121 0.968 . . . . 10.0 111.832 169.975 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 9.7 tt -58.18 -54.23 49.37 Favored 'General case' 0 CA--C 1.535 0.383 0 C-N-CA 124.253 1.021 . . . . 10.0 113.37 -174.729 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 84.5 t -56.03 -48.78 78.34 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.918 0 C-N-CA 124.947 1.299 . . . . 10.0 110.627 -177.312 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 57' ' ' THR . . . . . . . . . . . . . 35.4 m -61.63 -49.14 77.77 Favored 'General case' 0 N--CA 1.476 0.87 0 C-N-CA 124.761 1.225 . . . . 10.0 111.822 175.817 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 49.3 m -60.7 -37.61 82.24 Favored 'General case' 0 N--CA 1.472 0.643 0 C-N-CA 124.206 1.003 . . . . 10.0 112.591 178.286 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 59' ' ' CYS . . . . . . . . . . . . . 31.6 t -58.12 -50.39 73.66 Favored 'General case' 0 CA--C 1.538 0.518 0 C-N-CA 125.951 1.7 . . . . 10.0 112.425 171.58 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 60' ' ' VAL . . . . . . . . . . . . . 50.6 t -56.31 -43.53 77.22 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.122 0 O-C-N 121.172 -0.955 . . . . 10.0 111.96 173.19 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 61' ' ' ASN . . . . . . . . . . . . . 19.2 m-80 -63.29 -46.5 86.46 Favored 'General case' 0 CA--C 1.544 0.739 0 C-N-CA 124.481 1.113 . . . . 10.0 112.967 174.43 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -60.65 -45.13 95.24 Favored 'General case' 0 CA--C 1.537 0.472 0 C-N-CA 124.554 1.141 . . . . 10.0 111.488 176.271 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 63' ' ' THR . . . . . . . . . . . . . 29.1 m -55.78 -48.59 75.05 Favored 'General case' 0 N--CA 1.472 0.632 0 C-N-CA 125.16 1.384 . . . . 10.0 111.558 177.072 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 64' ' ' GLN . . . . . . . . . . . . . 42.6 mt-30 -51.24 -59.22 4.44 Favored 'General case' 0 N--CA 1.469 0.487 0 C-N-CA 124.108 0.963 . . . . 10.0 111.666 171.463 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -56.36 -42.82 78.42 Favored 'General case' 0 CA--C 1.546 0.789 0 C-N-CA 125.898 1.679 . . . . 10.0 114.025 -178.221 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -68.8 -42.71 76.96 Favored 'General case' 0 CA--C 1.542 0.639 0 C-N-CA 125.044 1.338 . . . . 10.0 114.022 178.377 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 67' ' ' ASN . . . . . . . . . . . . . 8.4 m-80 -114.89 37.27 3.52 Favored 'General case' 0 CA--C 1.544 0.718 0 C-N-CA 124.21 1.004 . . . . 10.0 112.583 -169.849 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 68' ' ' GLN . . . . . . . . . . . . . 60.3 mt-30 -50.16 -52.77 32.63 Favored 'General case' 0 N--CA 1.474 0.744 0 C-N-CA 125.921 1.688 . . . . 10.0 112.224 -179.342 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -51.55 -52.01 50.69 Favored 'General case' 0 CA--C 1.54 0.575 0 C-N-CA 125.286 1.434 . . . . 10.0 112.742 178.538 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 6.4 mm-40 -57.19 -48.21 79.34 Favored 'General case' 0 N--CA 1.473 0.693 0 C-N-CA 124.996 1.318 . . . . 10.0 112.847 -179.259 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 71' ' ' PHE . . . . . . . . . . . . . 37.0 m-85 -60.67 -58.26 9.23 Favored 'General case' 0 CA--C 1.537 0.472 0 C-N-CA 122.797 0.439 . . . . 10.0 111.409 174.27 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 66.7 m -56.11 -51.51 67.67 Favored 'General case' 0 N--CA 1.472 0.643 0 C-N-CA 125.231 1.412 . . . . 10.0 114.047 -176.551 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 73' ' ' ARG . . . . . . . . . . . . . 7.1 ppt_? -58.84 -46.13 88.41 Favored 'General case' 0 N--CA 1.479 0.993 0 C-N-CA 124.605 1.162 . . . . 10.0 113.142 -176.472 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 18.2 mt-10 -64.98 -52.12 57.98 Favored 'General case' 0 N--CA 1.467 0.416 0 C-N-CA 123.822 0.849 . . . . 10.0 112.851 173.25 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 58.5 tptt -48.41 -26.67 2.2 Favored 'General case' 0 N--CA 1.482 1.143 0 C-N-CA 126.875 2.07 . . . . 10.0 115.188 -175.33 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 76' ' ' GLN . . . . . . . . . . . . . 73.0 mm-40 -53.34 -32.45 49.16 Favored 'General case' 0 CA--C 1.546 0.803 0 C-N-CA 124.711 1.204 . . . . 10.0 113.8 172.873 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 32.1 t70 -135.25 -44.27 0.7 Allowed 'General case' 0 CA--C 1.545 0.766 0 C-N-CA 126.061 1.744 . . . . 10.0 113.223 -176.051 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 6.8 t -62.19 135.97 57.73 Favored 'General case' 0 N--CA 1.47 0.545 0 C-N-CA 126.546 1.939 . . . . 10.0 112.647 -179.499 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 40.3 ttpt -120.4 -76.38 0.58 Allowed 'General case' 0 N--CA 1.476 0.837 0 C-N-CA 125.817 1.647 . . . . 10.0 111.751 -174.337 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 42.6 tp -57.74 -38.18 74.89 Favored 'General case' 0 N--CA 1.471 0.611 0 C-N-CA 124.508 1.123 . . . . 10.0 112.851 -177.288 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 81' ' ' HIS . . . . . . . . . . . . . 16.9 t-160 -50.43 -48.57 56.25 Favored 'General case' 0 N--CA 1.471 0.577 0 CA-C-N 118.959 0.8 . . . . 10.0 112.55 -178.886 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 82' ' ' GLN . . . . . . . . . . . . . 87.8 mm-40 -51.73 -52.67 46.75 Favored 'General case' 0 N--CA 1.471 0.601 0 C-N-CA 124.641 1.176 . . . . 10.0 111.974 -179.89 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 83' ' ' ARG . . . . . . . . . . . . . 76.6 mtp180 -51.13 -55.37 18.12 Favored 'General case' 0 N--CA 1.48 1.065 0 C-N-CA 125.453 1.501 . . . . 10.0 111.748 178.006 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 84' ' ' VAL . . . . . . . . . . . . . 18.8 t -60.45 -52.93 55.71 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.807 0 C-N-CA 126.086 1.755 . . . . 10.0 111.121 178.801 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 85' ' ' LEU . . . . . . . . . . . . . 49.0 tp -54.31 -49.8 68.83 Favored 'General case' 0 CA--C 1.538 0.49 0 C-N-CA 126.5 1.92 . . . . 10.0 112.619 178.706 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 86' ' ' TRP . . . . . . . . . . . . . 68.0 m95 -61.81 -43.31 99.11 Favored 'General case' 0 N--CA 1.469 0.523 0 N-CA-C 113.845 1.054 . . . . 10.0 113.845 176.363 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 87' ' ' ARG . . . . . . . . . . . . . 26.2 tpt180 -55.17 -47.93 74.5 Favored 'General case' 0 N--CA 1.476 0.854 0 C-N-CA 123.529 0.732 . . . . 10.0 111.396 169.971 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 88' ' ' LEU . . . . . . . . . . . . . 1.3 tt -57.91 -54.39 47.45 Favored 'General case' 0 CA--C 1.546 0.794 0 C-N-CA 124.677 1.191 . . . . 10.0 112.139 175.117 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 89' ' ' ILE . . . . . . . . . . . . . 76.5 mt -50.14 -51.63 16.85 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.855 0 C-N-CA 125.202 1.401 . . . . 10.0 110.86 174.617 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 86.5 tttt -58.82 -45.59 89.64 Favored 'General case' 0 N--CA 1.469 0.482 0 C-N-CA 124.11 0.964 . . . . 10.0 112.747 177.198 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 18.4 mm-40 -56.64 -47.06 80.54 Favored 'General case' 0 CA--C 1.542 0.651 0 CA-C-N 119.73 1.15 . . . . 10.0 112.553 172.476 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 92' ' ' ILE . . . . . . . . . . . . . 93.3 mt -55.35 -55.9 14.45 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.958 0 C-N-CA 123.892 0.877 . . . . 10.0 110.791 172.224 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 93' ' ' CYS . . . . . . . . . . . . . 90.2 m -56.12 -46.83 79.02 Favored 'General case' 0 CA--C 1.543 0.708 0 C-N-CA 123.726 0.81 . . . . 10.0 112.164 179.032 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 57.5 m -57.78 -37.02 72.96 Favored 'General case' 0 N--CA 1.476 0.829 0 C-N-CA 126.132 1.773 . . . . 10.0 113.813 176.432 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . -66.11 -28.02 68.49 Favored 'General case' 0 CA--C 1.548 0.874 0 N-CA-C 113.97 1.1 . . . . 10.0 113.97 177.572 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 96' ' ' LYS . . . . . . . . . . . . . 41.8 mttm -59.97 120.07 8.96 Favored 'General case' 0 N--CA 1.477 0.92 0 C-N-CA 125.01 1.324 . . . . 10.0 111.83 -177.66 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 97' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -126.19 146.8 49.82 Favored 'General case' 0 N--CA 1.468 0.448 0 C-N-CA 126.696 1.998 . . . . 10.0 113.449 -174.036 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 98' ' ' CYS . . . . . . . . . . . . . 56.1 m -128.84 129.1 45.14 Favored 'General case' 0 N--CA 1.47 0.536 0 C-N-CA 124.863 1.265 . . . . 10.0 111.367 -177.25 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 99' ' ' ASP . . . . . . . . . . . . . 12.8 m-20 -57.58 -36.98 72.43 Favored 'General case' 0 N--CA 1.472 0.626 0 C-N-CA 125.36 1.464 . . . . 10.0 113.756 -174.006 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 100' ' ' PHE . . . . . . . . . . . . . 5.4 p90 -70.29 -15.76 62.93 Favored 'General case' 0 CA--C 1.542 0.653 0 N-CA-C 115.249 1.574 . . . . 10.0 115.249 -177.923 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 101' ' ' TRP . . . . . . . . . . . . . 43.9 m0 -59.49 119.44 7.51 Favored 'General case' 0 N--CA 1.472 0.663 0 CA-C-N 119.862 1.21 . . . . 10.0 111.981 179.686 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 102' ' ' LEU . . . . . . . . . . . . . 5.6 mp -73.18 152.24 41.19 Favored 'General case' 0 CA--C 1.542 0.652 0 C-N-CA 125.448 1.499 . . . . 10.0 112.594 -170.681 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 31.9 tt0 -140.09 -65.48 0.46 Allowed 'General case' 0 N--CA 1.473 0.694 0 C-N-CA 125.768 1.627 . . . . 10.0 110.471 174.137 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 104' ' ' ARG . . . . . . . . . . . . . 20.4 ptp180 -123.43 6.63 8.98 Favored 'General case' 0 N--CA 1.48 1.057 0 C-N-CA 126.681 1.992 . . . . 10.0 113.764 -178.501 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 105' ' ' GLY . . . . . . . . . . . . . . . 179.78 174.05 45.37 Favored Glycine 0 CA--C 1.536 1.361 0 C-N-CA 127.288 2.375 . . . . 10.0 112.056 -179.331 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 106' ' ' ALA . . . . . . . . . . . . . . . -90.61 -178.06 5.19 Favored 'General case' 0 CA--C 1.55 0.95 0 C-N-CA 125.394 1.478 . . . . 10.0 112.828 177.558 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 107' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.254 1.323 0 C-N-CA 126.811 2.044 . . . . 10.0 112.005 179.424 . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' A' A ' 1' ' ' ARG . . . . . . . . . . . . . 95.9 mtt-85 . . . . . 0 N--CA 1.49 1.534 0 CA-C-O 120.517 0.198 . . . . 10.0 110.67 . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' A' A ' 2' ' ' VAL . . . . . . . . . . . . . 7.3 p -62.17 155.29 4.87 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.091 0 C-N-CA 124.86 1.264 . . . . 10.0 111.733 171.296 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -56.78 145.2 30.06 Favored 'General case' 0 CA--C 1.544 0.744 0 C-N-CA 124.135 0.974 . . . . 10.0 112.215 171.781 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 13.1 pt-20 -84.66 -16.42 41.95 Favored 'General case' 0 N--CA 1.475 0.8 0 C-N-CA 125.047 1.339 . . . . 10.0 113.5 178.901 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 5' ' ' ASN . . . . . . . . . . . . . 56.5 t30 -126.96 64.53 1.3 Allowed 'General case' 0 CA--C 1.542 0.64 0 C-N-CA 126.553 1.941 . . . . 10.0 109.987 -179.076 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 67.2 mtm-85 -66.16 143.82 98.51 Favored Pre-proline 0 N--CA 1.475 0.81 0 C-N-CA 126.972 2.109 . . . . 10.0 111.391 178.165 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 7' ' ' PRO . . . . . . . . . . . . . 51.8 Cg_exo -53.79 116.09 2.78 Favored 'Trans proline' 0 CA--C 1.542 0.879 0 C-N-CA 122.656 2.237 . . . . 10.0 110.78 169.467 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . 112.62 -14.73 24.7 Favored Glycine 0 CA--C 1.538 1.515 0 C-N-CA 126.393 1.949 . . . . 10.0 114.223 -169.891 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -61.74 134.76 57.14 Favored 'General case' 0 CA--C 1.542 0.636 0 CA-C-N 119.803 1.801 . . . . 10.0 113.469 -171.135 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 10' ' ' PHE . . . . . . . . . . . . . 20.8 m-30 -58.06 145.56 36.03 Favored 'General case' 0 CA--C 1.539 0.554 0 C-N-CA 124.809 1.244 . . . . 10.0 112.69 171.135 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 57.8 mt -121.23 117.57 53.23 Favored 'Isoleucine or valine' 0 C--O 1.237 0.432 0 C-N-CA 125.71 1.604 . . . . 10.0 107.183 169.899 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 86.2 mttt -117.01 80.53 1.5 Allowed 'General case' 0 N--CA 1.472 0.649 0 C-N-CA 125.783 1.633 . . . . 10.0 110.04 -174.646 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 35.9 mt-30 -74.88 -42.38 57.98 Favored 'General case' 0 CA--C 1.538 0.5 0 C-N-CA 125.971 1.708 . . . . 10.0 110.481 171.932 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . 101.64 68.19 0.82 Allowed Glycine 0 CA--C 1.529 0.962 0 C-N-CA 125.682 1.61 . . . . 10.0 110.768 -178.154 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 43.8 ttp85 -135.55 109.32 8.07 Favored 'General case' 0 N--CA 1.47 0.538 0 C-N-CA 126.746 2.019 . . . . 10.0 110.295 -169.677 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 77.1 tttt -70.97 121.46 18.19 Favored 'General case' 0 N--CA 1.475 0.778 0 C-N-CA 125.658 1.583 . . . . 10.0 111.184 -177.636 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 73.6 mt -95.9 177.53 5.73 Favored 'General case' 0 CA--C 1.545 0.782 0 C-N-CA 125.882 1.673 . . . . 10.0 112.72 -175.524 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 18.2 t0 -126.99 90.4 3.15 Favored 'General case' 0 CA--C 1.543 0.684 0 C-N-CA 126.166 1.786 . . . . 10.0 110.819 179.855 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . 56.6 mt -136.01 130.23 48.38 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.746 0 C-N-CA 127.415 2.286 . . . . 10.0 108.482 -175.935 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 23.0 t0 -90.48 86.0 6.31 Favored 'General case' 0 CA--C 1.539 0.524 0 CA-C-O 121.959 0.885 . . . . 10.0 110.82 173.241 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 21' ' ' PHE . . . . . . . . . . . . . 80.0 m-85 -62.84 -42.58 99.8 Favored 'General case' 0 CA--C 1.54 0.576 0 C-N-CA 126.711 2.004 . . . . 10.0 111.778 171.077 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 133.32 154.48 7.45 Favored Glycine 0 CA--C 1.533 1.168 0 C-N-CA 127.914 2.673 . . . . 10.0 109.608 -169.69 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -40.11 -58.31 1.48 Allowed 'General case' 0 CA--C 1.547 0.864 0 N-CA-C 115.49 1.663 . . . . 10.0 115.49 -169.518 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 34.6 tt0 -66.57 -42.57 86.81 Favored 'General case' 0 CA--C 1.545 0.781 0 C-N-CA 124.15 0.98 . . . . 10.0 112.916 -179.698 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -66.12 -39.85 94.79 Favored Glycine 0 CA--C 1.535 1.295 0 C-N-CA 124.562 1.077 . . . . 10.0 113.847 176.679 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 86.1 m-20 -56.18 -50.34 71.47 Favored 'General case' 0 CA--C 1.535 0.366 0 C-N-CA 126.069 1.747 . . . . 10.0 110.313 172.306 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 66.8 mtp180 -58.81 -45.98 88.66 Favored 'General case' 0 N--CA 1.474 0.728 0 C-N-CA 125.115 1.366 . . . . 10.0 111.389 176.291 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 28' ' ' TYR . . . . . . . . . . . . . 74.7 t80 -60.03 -54.42 46.18 Favored 'General case' 0 CA--C 1.537 0.459 0 C-N-CA 124.059 0.944 . . . . 10.0 112.044 177.545 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 29' ' ' TYR . . . . . . . . . . . . . 85.2 t80 -55.2 -51.7 65.69 Favored 'General case' 0 CA--C 1.537 0.478 0 C-N-CA 124.164 0.985 . . . . 10.0 112.228 175.175 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -51.22 -36.48 41.86 Favored 'General case' 0 CA--C 1.546 0.793 0 C-N-CA 124.496 1.118 . . . . 10.0 113.802 178.587 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -86.83 -23.51 25.29 Favored 'General case' 0 CA--C 1.55 0.957 0 N-CA-C 115.009 1.485 . . . . 10.0 115.009 176.606 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 32' ' ' ASN . . . . . . . . . . . . . 60.6 m-80 -125.9 8.77 7.48 Favored 'General case' 0 CA--C 1.547 0.832 0 N-CA-C 116.475 2.028 . . . . 10.0 116.475 -169.227 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 33' ' ' TYR . . . . . . . . . . . . . 51.7 p90 -49.17 -29.1 5.02 Favored 'General case' 0 N--CA 1.479 0.98 0 C-N-CA 126.144 1.778 . . . . 10.0 115.217 -176.921 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 34' ' ' TRP . . . . . . . . . . . . . 63.7 p-90 -52.57 -35.75 54.51 Favored 'General case' 0 CA--C 1.546 0.816 0 C-N-CA 125.95 1.7 . . . . 10.0 114.367 171.994 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 29.5 mt-30 -69.99 -41.17 74.75 Favored 'General case' 0 N--CA 1.475 0.784 0 C-N-CA 124.147 0.979 . . . . 10.0 112.916 176.229 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 36' ' ' PHE . . . . . . . . . . . . . 86.9 m-85 -71.07 154.76 93.94 Favored Pre-proline 0 CA--C 1.547 0.835 0 C-N-CA 126.129 1.772 . . . . 10.0 114.385 -169.752 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 92.2 Cg_endo -74.0 131.9 16.14 Favored 'Trans proline' 0 CA--C 1.537 0.671 0 C-N-CA 123.665 2.91 . . . . 10.0 110.328 169.377 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 4.2 p30 -94.25 -30.03 14.78 Favored 'General case' 0 N--CA 1.473 0.676 0 O-C-N 121.326 -0.859 . . . . 10.0 111.758 170.024 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . -120.82 165.19 14.02 Favored Glycine 0 CA--C 1.536 1.401 0 C-N-CA 125.184 1.373 . . . . 10.0 111.772 169.204 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 40' ' ' ILE . . . . . . . . . . . . . 87.1 mt -136.46 123.89 33.11 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.841 0 C-N-CA 124.936 1.295 . . . . 10.0 108.828 171.688 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 41' ' ' TYR . . . . . . . . . . . . . 89.9 t80 -73.95 114.15 11.93 Favored 'General case' 0 CA--C 1.535 0.396 0 C-N-CA 124.943 1.297 . . . . 10.0 109.91 171.315 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 42' ' ' TYR . . . . . . . . . . . . . 40.6 t80 -153.94 153.18 31.56 Favored 'General case' 0 CA--C 1.541 0.624 0 C-N-CA 124.124 0.969 . . . . 10.0 111.606 176.875 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 47.2 mt-10 -126.75 59.95 1.37 Allowed 'General case' 0 N--CA 1.474 0.731 0 C-N-CA 125.845 1.658 . . . . 10.0 110.659 -174.102 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . -74.24 -31.55 59.24 Favored Glycine 0 CA--C 1.532 1.103 0 C-N-CA 125.06 1.314 . . . . 10.0 115.154 -174.716 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 45' ' ' CYS . . . . . . . . . . . . . 84.7 m -75.06 74.28 2.24 Favored 'General case' 0 CA--C 1.544 0.717 0 C-N-CA 125.285 1.434 . . . . 10.0 112.675 -174.657 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 23.0 t -77.6 -55.48 5.32 Favored 'General case' 0 CA--C 1.537 0.459 0 C-N-CA 125.282 1.433 . . . . 10.0 112.139 176.558 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 14.5 pt-20 -154.99 154.37 32.43 Favored 'General case' 0 N--CA 1.471 0.61 0 C-N-CA 125.13 1.372 . . . . 10.0 113.249 -169.837 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -52.11 -27.75 15.26 Favored 'General case' 0 CA--C 1.547 0.852 0 N-CA-C 115.11 1.522 . . . . 10.0 115.11 179.399 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 77.1 m-20 -65.96 -29.74 70.19 Favored 'General case' 0 CA--C 1.546 0.791 0 C-N-CA 124.689 1.196 . . . . 10.0 113.673 174.977 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . 0.8 OUTLIER -66.74 125.31 23.81 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.812 0 CA-C-N 119.502 1.046 . . . . 10.0 109.673 174.885 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 74.9 p -93.16 171.52 8.89 Favored 'General case' 0 N--CA 1.475 0.784 0 C-N-CA 124.571 1.148 . . . . 10.0 110.782 -179.98 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 85.6 tttt -57.97 -51.68 68.63 Favored 'General case' 0 N--CA 1.47 0.575 0 O-C-N 121.641 -0.662 . . . . 10.0 110.623 169.582 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 28.0 mm-40 -49.9 -50.37 46.38 Favored 'General case' 0 N--CA 1.473 0.707 0 C-N-CA 124.157 0.983 . . . . 10.0 112.256 177.363 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 54' ' ' MET . . . . . . . . . . . . . 60.0 mtm -60.08 -48.6 81.03 Favored 'General case' 0 CA--C 1.537 0.454 0 N-CA-C 112.99 0.737 . . . . 10.0 112.99 172.84 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 9.6 tt -59.4 -52.04 67.32 Favored 'General case' 0 N--CA 1.467 0.423 0 CA-C-N 119.664 1.12 . . . . 10.0 112.558 179.887 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 40.1 t -58.22 -48.62 84.22 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.917 0 C-N-CA 124.567 1.147 . . . . 10.0 110.78 -179.721 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 57' ' ' THR . . . . . . . . . . . . . 61.8 m -56.78 -51.33 69.33 Favored 'General case' 0 N--CA 1.477 0.916 0 C-N-CA 124.386 1.074 . . . . 10.0 111.794 174.669 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 45.3 m -62.35 -39.99 94.94 Favored 'General case' 0 N--CA 1.472 0.667 0 C-N-CA 124.264 1.025 . . . . 10.0 112.605 178.893 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 59' ' ' CYS . . . . . . . . . . . . . 44.7 t -58.47 -49.55 76.91 Favored 'General case' 0 CA--C 1.536 0.42 0 C-N-CA 126.217 1.807 . . . . 10.0 112.26 172.965 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 60' ' ' VAL . . . . . . . . . . . . . 44.0 t -54.94 -48.36 75.2 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.896 0 C-N-CA 124.317 1.047 . . . . 10.0 111.519 171.744 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 61' ' ' ASN . . . . . . . . . . . . . 17.8 m-80 -59.76 -44.94 93.61 Favored 'General case' 0 CA--C 1.546 0.796 0 C-N-CA 124.596 1.158 . . . . 10.0 113.476 175.223 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -61.0 -47.23 87.42 Favored 'General case' 0 CA--C 1.539 0.551 0 C-N-CA 124.265 1.026 . . . . 10.0 111.311 174.635 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 63' ' ' THR . . . . . . . . . . . . . 37.0 m -54.8 -49.72 70.29 Favored 'General case' 0 N--CA 1.47 0.555 0 C-N-CA 125.19 1.396 . . . . 10.0 111.655 177.078 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 64' ' ' GLN . . . . . . . . . . . . . 55.5 mt-30 -46.88 -60.31 2.51 Favored 'General case' 0 N--CA 1.474 0.751 0 C-N-CA 125.075 1.35 . . . . 10.0 111.976 172.28 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -56.19 -43.51 78.53 Favored 'General case' 0 CA--C 1.543 0.676 0 C-N-CA 125.403 1.481 . . . . 10.0 113.468 -179.55 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -74.53 -30.96 61.98 Favored 'General case' 0 CA--C 1.545 0.778 0 N-CA-C 115.207 1.558 . . . . 10.0 115.207 -176.775 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 67' ' ' ASN . . . . . . . . . . . . . 6.8 m-80 -125.34 39.38 3.98 Favored 'General case' 0 N--CA 1.48 1.054 0 CA-C-N 120.179 1.354 . . . . 10.0 113.214 -170.295 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 68' ' ' GLN . . . . . . . . . . . . . 70.5 mt-30 -51.81 -39.1 58.14 Favored 'General case' 0 N--CA 1.476 0.832 0 C-N-CA 126.345 1.858 . . . . 10.0 115.032 -172.559 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -51.42 -58.86 5.09 Favored 'General case' 0 CA--C 1.544 0.748 0 C-N-CA 125.216 1.406 . . . . 10.0 113.47 -176.614 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 44.1 mt-10 -62.81 -27.27 69.2 Favored 'General case' 0 N--CA 1.476 0.833 0 C-N-CA 123.907 0.883 . . . . 10.0 113.176 179.891 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 71' ' ' PHE . . . . . . . . . . . . . 13.5 m-85 -83.55 1.29 42.73 Favored 'General case' 0 CA--C 1.544 0.712 0 C-N-CA 124.862 1.265 . . . . 10.0 114.346 175.214 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 31.0 t -132.93 -58.8 0.9 Allowed 'General case' 0 N--CA 1.472 0.653 0 C-N-CA 124.637 1.175 . . . . 10.0 113.231 -170.694 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 73' ' ' ARG . . . . . . . . . . . . . 38.8 mmt180 -61.98 -52.04 65.63 Favored 'General case' 0 N--CA 1.475 0.786 0 C-N-CA 125.123 1.369 . . . . 10.0 112.926 -172.9 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 11.4 pt-20 -89.97 -25.25 20.98 Favored 'General case' 0 N--CA 1.475 0.816 0 N-CA-C 114.316 1.228 . . . . 10.0 114.316 -175.792 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 79.0 tttt -34.22 -52.74 0.48 Allowed 'General case' 0 N--CA 1.48 1.066 0 C-N-CA 128.803 2.841 . . . . 10.0 115.452 -174.116 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 76' ' ' GLN . . . . . . . . . . . . . 4.5 mp0 -54.88 -46.83 74.82 Favored 'General case' 0 CA--C 1.542 0.639 0 C-N-CA 125.892 1.677 . . . . 10.0 112.547 -175.017 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 33.1 t70 -84.62 -48.66 9.27 Favored 'General case' 0 CA--C 1.542 0.656 0 C-N-CA 125.122 1.369 . . . . 10.0 111.991 174.565 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 2.7 t -80.62 49.96 1.25 Allowed 'General case' 0 CA--C 1.543 0.698 0 C-N-CA 127.519 2.327 . . . . 10.0 112.787 -171.816 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 99.5 mttt -57.26 -55.3 36.5 Favored 'General case' 0 N--CA 1.476 0.85 0 C-N-CA 126.291 1.836 . . . . 10.0 112.848 -172.57 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 59.0 tp -56.53 -43.32 79.72 Favored 'General case' 0 N--CA 1.469 0.512 0 C-N-CA 124.691 1.196 . . . . 10.0 112.067 177.88 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 81' ' ' HIS . . . . . . . . . . . . . 17.0 t-160 -51.81 -51.56 55.56 Favored 'General case' 0 N--CA 1.468 0.428 0 CA-C-O 118.378 -0.82 . . . . 10.0 111.025 177.846 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 82' ' ' GLN . . . . . . . . . . . . . 95.3 mm-40 -51.57 -51.08 58.39 Favored 'General case' 0 N--CA 1.471 0.584 0 C-N-CA 123.84 0.856 . . . . 10.0 112.386 176.778 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 83' ' ' ARG . . . . . . . . . . . . . 47.5 mmt-85 -56.65 -55.02 39.34 Favored 'General case' 0 N--CA 1.479 1.012 0 C-N-CA 124.078 0.951 . . . . 10.0 111.972 -178.648 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 84' ' ' VAL . . . . . . . . . . . . . 44.9 t -59.75 -49.79 82.49 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.806 0 C-N-CA 125.689 1.595 . . . . 10.0 110.793 177.78 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 85' ' ' LEU . . . . . . . . . . . . . 50.4 tp -56.29 -49.72 73.47 Favored 'General case' 0 N--CA 1.469 0.482 0 C-N-CA 126.394 1.878 . . . . 10.0 112.501 178.301 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 86' ' ' TRP . . . . . . . . . . . . . 53.2 m95 -61.6 -44.24 97.37 Favored 'General case' 0 N--CA 1.468 0.467 0 N-CA-C 113.803 1.038 . . . . 10.0 113.803 175.672 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 87' ' ' ARG . . . . . . . . . . . . . 13.8 tpt180 -55.16 -50.58 68.94 Favored 'General case' 0 N--CA 1.473 0.697 0 CA-C-N 118.762 0.71 . . . . 10.0 111.081 171.196 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 88' ' ' LEU . . . . . . . . . . . . . 52.4 tp -55.95 -50.72 70.0 Favored 'General case' 0 CA--C 1.54 0.592 0 C-N-CA 124.472 1.109 . . . . 10.0 112.796 175.947 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 89' ' ' ILE . . . . . . . . . . . . . 62.9 mt -51.61 -51.22 27.34 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.684 0 C-N-CA 124.262 1.025 . . . . 10.0 110.632 174.143 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 94.5 mttt -58.31 -45.81 87.31 Favored 'General case' 0 N--CA 1.472 0.665 0 C-N-CA 124.212 1.005 . . . . 10.0 113.219 176.049 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 67.2 mm-40 -53.97 -50.71 65.91 Favored 'General case' 0 N--CA 1.474 0.743 0 CA-C-N 119.538 1.063 . . . . 10.0 112.046 171.686 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 92' ' ' ILE . . . . . . . . . . . . . 96.8 mt -58.65 -51.18 75.04 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.94 0 C-N-CA 124.383 1.073 . . . . 10.0 111.558 175.471 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 93' ' ' CYS . . . . . . . . . . . . . 66.5 m -57.36 -41.83 80.9 Favored 'General case' 0 CA--C 1.546 0.806 0 C-N-CA 124.505 1.122 . . . . 10.0 112.4 177.919 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 23.8 t -61.7 -45.22 94.93 Favored 'General case' 0 N--CA 1.474 0.73 0 C-N-CA 126.027 1.731 . . . . 10.0 112.747 171.318 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . -60.47 -48.32 82.26 Favored 'General case' 0 CA--C 1.543 0.688 0 C-N-CA 125.513 1.525 . . . . 10.0 113.713 -177.033 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 96' ' ' LYS . . . . . . . . . . . . . 1.5 ptpm? -61.72 139.73 58.28 Favored 'General case' 0 N--CA 1.481 1.117 0 C-N-CA 123.555 0.742 . . . . 10.0 111.701 173.79 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 97' ' ' HIS . . . . . . . . . . . . . 2.2 m-70 -138.02 167.49 21.67 Favored 'General case' 0 N--CA 1.479 1.014 0 C-N-CA 126.592 1.957 . . . . 10.0 112.04 -173.535 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 98' ' ' CYS . . . . . . . . . . . . . 33.7 m -112.04 131.49 55.39 Favored 'General case' 0 N--CA 1.469 0.511 0 C-N-CA 125.151 1.38 . . . . 10.0 111.652 174.78 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 99' ' ' ASP . . . . . . . . . . . . . 16.5 m-20 -60.32 -36.63 78.37 Favored 'General case' 0 N--CA 1.473 0.692 0 C-N-CA 124.705 1.202 . . . . 10.0 113.243 179.665 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 100' ' ' PHE . . . . . . . . . . . . . 2.0 p90 -69.79 -11.87 61.19 Favored 'General case' 0 CA--C 1.544 0.737 0 N-CA-C 115.341 1.608 . . . . 10.0 115.341 -178.907 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 101' ' ' TRP . . . . . . . . . . . . . 25.3 m0 -59.0 141.14 54.72 Favored 'General case' 0 N--CA 1.471 0.62 0 CA-C-N 119.675 1.125 . . . . 10.0 113.075 -177.819 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 102' ' ' LEU . . . . . . . . . . . . . 2.5 pt? -140.86 158.35 44.08 Favored 'General case' 0 CA--C 1.541 0.617 0 C-N-CA 127.021 2.128 . . . . 10.0 112.255 -169.755 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 8.0 tp10 -64.31 -52.94 56.03 Favored 'General case' 0 CA--C 1.544 0.73 0 C-N-CA 124.836 1.254 . . . . 10.0 112.689 -174.899 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 104' ' ' ARG . . . . . . . . . . . . . 38.2 mtm105 -138.12 -77.07 0.38 Allowed 'General case' 0 N--CA 1.478 0.931 0 C-N-CA 125.771 1.628 . . . . 10.0 112.027 -179.055 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 105' ' ' GLY . . . . . . . . . . . . . . . 179.6 -67.76 0.07 OUTLIER Glycine 0 CA--C 1.532 1.137 0 C-N-CA 125.134 1.35 . . . . 10.0 112.857 -173.322 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 106' ' ' ALA . . . . . . . . . . . . . . . -142.23 161.64 37.51 Favored 'General case' 0 CA--C 1.546 0.811 0 C-N-CA 125.618 1.567 . . . . 10.0 112.719 -177.476 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 107' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.255 1.366 0 C-N-CA 126.583 1.953 . . . . 10.0 112.044 -179.712 . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' A' A ' 1' ' ' ARG . . . . . . . . . . . . . 48.0 ptt85 . . . . . 0 N--CA 1.491 1.601 0 N-CA-C 111.769 0.285 . . . . 10.0 111.769 . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' A' A ' 2' ' ' VAL . . . . . . . . . . . . . 87.6 t -63.44 137.39 24.76 Favored 'Isoleucine or valine' 0 N--CA 1.479 1.022 0 C-N-CA 124.802 1.241 . . . . 10.0 110.151 169.772 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -72.63 130.74 41.27 Favored 'General case' 0 CA--C 1.543 0.688 0 C-N-CA 124.106 0.962 . . . . 10.0 111.764 173.388 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 2.9 pm0 -64.55 -16.29 62.38 Favored 'General case' 0 CA--C 1.543 0.675 0 C-N-CA 126.689 1.995 . . . . 10.0 113.861 174.142 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 5' ' ' ASN . . . . . . . . . . . . . 52.8 t30 -135.66 59.76 1.71 Allowed 'General case' 0 CA--C 1.545 0.771 0 C-N-CA 126.382 1.873 . . . . 10.0 110.113 174.889 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 26.2 ptt-85 -71.26 150.55 94.36 Favored Pre-proline 0 N--CA 1.475 0.796 0 C-N-CA 127.203 2.201 . . . . 10.0 112.25 173.195 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 7' ' ' PRO . . . . . . . . . . . . . 41.2 Cg_endo -61.66 119.3 6.36 Favored 'Trans proline' 0 CA--C 1.538 0.724 0 C-N-CA 122.925 2.417 . . . . 10.0 111.104 179.198 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . 116.32 -16.29 14.96 Favored Glycine 0 CA--C 1.539 1.537 0 C-N-CA 127.156 2.312 . . . . 10.0 113.671 -169.971 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -61.13 133.53 56.1 Favored 'General case' 0 CA--C 1.546 0.798 0 CA-C-N 119.599 1.699 . . . . 10.0 113.722 -171.004 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 10' ' ' PHE . . . . . . . . . . . . . 13.3 m-30 -57.64 142.83 43.57 Favored 'General case' 0 CA--C 1.543 0.695 0 C-N-CA 125.417 1.487 . . . . 10.0 113.043 172.315 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 52.6 mt -120.79 95.39 3.53 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.576 0 C-N-CA 125.523 1.529 . . . . 10.0 107.468 169.725 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 89.0 mttt -86.89 123.67 32.27 Favored 'General case' 0 N--CA 1.473 0.702 0 C-N-CA 125.265 1.426 . . . . 10.0 109.672 177.256 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 75.5 mt-30 -120.75 -41.48 2.57 Favored 'General case' 0 N--CA 1.474 0.735 0 C-N-CA 124.569 1.147 . . . . 10.0 112.836 -171.717 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . 90.41 42.58 5.15 Favored Glycine 0 CA--C 1.533 1.175 0 C-N-CA 126.114 1.816 . . . . 10.0 111.257 -169.912 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 69.4 ttp85 -121.12 84.97 2.32 Favored 'General case' 0 N--CA 1.473 0.678 0 C-N-CA 126.564 1.946 . . . . 10.0 109.957 -171.028 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 76.0 tttt -55.23 111.62 0.9 Allowed 'General case' 0 N--CA 1.475 0.806 0 C-N-CA 126.717 2.007 . . . . 10.0 112.355 -171.548 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 79.0 mt -85.15 179.1 7.31 Favored 'General case' 0 CA--C 1.545 0.775 0 C-N-CA 126.409 1.883 . . . . 10.0 112.687 -174.741 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 19.8 t0 -129.58 92.17 3.29 Favored 'General case' 0 CA--C 1.543 0.711 0 C-N-CA 125.895 1.678 . . . . 10.0 110.71 175.657 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . 51.0 mt -134.3 138.73 49.44 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.759 0 C-N-CA 127.959 2.504 . . . . 10.0 108.452 179.677 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 26.7 t0 -86.24 112.03 20.98 Favored 'General case' 0 CA--C 1.538 0.509 0 CA-C-O 121.373 0.606 . . . . 10.0 110.185 169.465 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 21' ' ' PHE . . . . . . . . . . . . . 72.6 m-85 -98.62 -3.6 35.78 Favored 'General case' 0 CA--C 1.543 0.708 0 C-N-CA 127.998 2.519 . . . . 10.0 112.675 173.995 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 88.97 152.87 26.45 Favored Glycine 0 CA--C 1.536 1.376 0 C-N-CA 125.723 1.63 . . . . 10.0 110.043 -168.822 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -40.72 -56.62 2.11 Favored 'General case' 0 CA--C 1.547 0.855 0 N-CA-C 115.678 1.733 . . . . 10.0 115.678 -169.605 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 37.2 tt0 -61.78 -44.91 95.94 Favored 'General case' 0 CA--C 1.545 0.75 0 C-N-CA 124.675 1.19 . . . . 10.0 112.505 179.793 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -66.92 -39.17 93.29 Favored Glycine 0 CA--C 1.535 1.327 0 C-N-CA 124.748 1.166 . . . . 10.0 113.905 176.027 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 95.4 m-20 -57.79 -49.13 77.64 Favored 'General case' 0 CA--C 1.534 0.34 0 C-N-CA 125.652 1.581 . . . . 10.0 110.683 174.764 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 98.7 mtt180 -57.47 -46.13 84.03 Favored 'General case' 0 N--CA 1.475 0.811 0 C-N-CA 124.499 1.119 . . . . 10.0 111.62 174.555 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 28' ' ' TYR . . . . . . . . . . . . . 71.0 t80 -60.48 -53.46 57.25 Favored 'General case' 0 CA--C 1.537 0.444 0 C-N-CA 124.04 0.936 . . . . 10.0 112.359 178.175 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 29' ' ' TYR . . . . . . . . . . . . . 76.2 t80 -56.2 -52.11 65.61 Favored 'General case' 0 N--CA 1.468 0.439 0 C-N-CA 123.898 0.879 . . . . 10.0 112.19 175.555 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -49.68 -36.57 25.43 Favored 'General case' 0 CA--C 1.545 0.754 0 C-N-CA 124.373 1.069 . . . . 10.0 113.79 178.636 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -87.21 -28.19 22.54 Favored 'General case' 0 CA--C 1.551 1.006 0 C-N-CA 125.696 1.598 . . . . 10.0 115.166 176.738 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 32' ' ' ASN . . . . . . . . . . . . . 55.9 m-80 -122.9 8.79 9.36 Favored 'General case' 0 N--CA 1.477 0.881 0 N-CA-C 116.534 2.05 . . . . 10.0 116.534 -169.12 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 33' ' ' TYR . . . . . . . . . . . . . 52.9 p90 -46.35 -36.76 6.66 Favored 'General case' 0 N--CA 1.477 0.89 0 C-N-CA 126.466 1.907 . . . . 10.0 115.069 -176.401 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 34' ' ' TRP . . . . . . . . . . . . . 63.7 p-90 -48.6 -33.67 10.21 Favored 'General case' 0 CA--C 1.546 0.809 0 C-N-CA 126.24 1.816 . . . . 10.0 114.632 174.92 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 29.8 mt-30 -71.73 -30.29 65.46 Favored 'General case' 0 N--CA 1.472 0.653 0 C-N-CA 125.061 1.344 . . . . 10.0 114.571 177.296 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 36' ' ' PHE . . . . . . . . . . . . . 64.7 m-85 -78.47 153.31 78.86 Favored Pre-proline 0 CA--C 1.544 0.741 0 N-CA-C 115.178 1.547 . . . . 10.0 115.178 -168.808 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 84.1 Cg_endo -74.18 103.64 1.71 Allowed 'Trans proline' 0 CA--C 1.539 0.765 0 C-N-CA 123.979 3.12 . . . . 10.0 110.029 169.636 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 69.2 m-20 -70.04 -22.5 63.08 Favored 'General case' 0 CA--C 1.545 0.775 0 O-C-N 121.218 -0.926 . . . . 10.0 112.261 176.326 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . -139.08 170.69 23.97 Favored Glycine 0 CA--C 1.537 1.415 0 C-N-CA 127.208 2.337 . . . . 10.0 111.083 169.468 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 40' ' ' ILE . . . . . . . . . . . . . 91.6 mt -137.45 125.58 32.39 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.858 0 C-N-CA 124.63 1.172 . . . . 10.0 109.046 176.56 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 41' ' ' TYR . . . . . . . . . . . . . 91.2 t80 -74.16 106.62 5.91 Favored 'General case' 0 CA--C 1.534 0.362 0 C-N-CA 124.102 0.961 . . . . 10.0 109.879 171.005 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 42' ' ' TYR . . . . . . . . . . . . . 55.1 t80 -154.73 141.62 19.15 Favored 'General case' 0 N--CA 1.467 0.409 0 C-N-CA 123.791 0.836 . . . . 10.0 111.886 175.747 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 51.8 mt-10 -119.94 95.83 4.92 Favored 'General case' 0 N--CA 1.469 0.505 0 C-N-CA 125.868 1.667 . . . . 10.0 109.57 178.79 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . -83.59 -69.09 1.39 Allowed Glycine 0 CA--C 1.527 0.825 0 C-N-CA 124.625 1.107 . . . . 10.0 114.421 -169.811 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 45' ' ' CYS . . . . . . . . . . . . . 26.7 p -70.68 140.21 51.43 Favored 'General case' 0 CA--C 1.544 0.712 0 N-CA-C 113.069 0.766 . . . . 10.0 113.069 -173.058 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 62.1 m -124.82 -28.16 3.54 Favored 'General case' 0 N--CA 1.479 0.991 0 C-N-CA 125.787 1.635 . . . . 10.0 113.675 178.617 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 47' ' ' GLU . . . . . 0.449 ' O ' HG12 ' A' ' 50' ' ' VAL . 13.0 pt-20 -147.73 150.57 34.55 Favored 'General case' 0 N--CA 1.472 0.672 0 C-N-CA 126.035 1.734 . . . . 10.0 111.668 -177.826 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -54.01 -26.61 27.18 Favored 'General case' 0 CA--C 1.549 0.931 0 N-CA-C 115.175 1.546 . . . . 10.0 115.175 -175.314 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 77.2 m-20 -65.25 -29.29 70.07 Favored 'General case' 0 CA--C 1.546 0.799 0 C-N-CA 125.401 1.48 . . . . 10.0 113.836 176.997 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 50' ' ' VAL . . . . . 0.449 HG12 ' O ' ' A' ' 47' ' ' GLU . 5.0 p -62.89 136.1 26.41 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.892 0 C-N-CA 124.084 0.954 . . . . 10.0 111.857 -176.962 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 73.5 p -101.49 167.89 9.86 Favored 'General case' 0 N--CA 1.474 0.747 0 C-N-CA 124.46 1.104 . . . . 10.0 111.794 -173.838 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 87.3 tttt -59.33 -47.98 83.36 Favored 'General case' 0 N--CA 1.469 0.515 0 C-N-CA 123.197 0.599 . . . . 10.0 110.684 169.837 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 2.4 mp0 -48.34 -51.58 25.5 Favored 'General case' 0 CA--C 1.54 0.591 0 C-N-CA 124.828 1.251 . . . . 10.0 112.273 173.732 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 54' ' ' MET . . . . . . . . . . . . . 31.3 mtm -56.77 -56.61 19.31 Favored 'General case' 0 N--CA 1.469 0.497 0 C-N-CA 123.818 0.847 . . . . 10.0 112.606 171.64 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 9.7 tt -55.42 -53.73 52.63 Favored 'General case' 0 N--CA 1.471 0.58 0 C-N-CA 124.689 1.196 . . . . 10.0 112.979 -177.192 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 60.7 t -60.4 -48.97 86.14 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.812 0 C-N-CA 125.444 1.498 . . . . 10.0 111.208 -177.364 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 57' ' ' THR . . . . . . . . . . . . . 48.0 m -59.69 -49.04 79.31 Favored 'General case' 0 N--CA 1.476 0.863 0 C-N-CA 124.047 0.939 . . . . 10.0 111.542 175.86 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 38.8 m -60.38 -39.73 88.31 Favored 'General case' 0 N--CA 1.472 0.626 0 C-N-CA 124.165 0.986 . . . . 10.0 112.349 177.519 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 59' ' ' CYS . . . . . . . . . . . . . 39.7 t -58.19 -49.58 76.56 Favored 'General case' 0 CA--C 1.537 0.446 0 C-N-CA 125.557 1.543 . . . . 10.0 112.877 173.329 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 60' ' ' VAL . . . . . . . . . . . . . 54.5 t -55.36 -49.96 68.9 Favored 'Isoleucine or valine' 0 N--CA 1.479 0.977 0 CA-C-N 119.076 0.853 . . . . 10.0 111.267 172.051 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 61' ' ' ASN . . . . . . . . . . . . . 16.4 m-80 -57.83 -45.21 86.51 Favored 'General case' 0 CA--C 1.545 0.762 0 C-N-CA 124.528 1.131 . . . . 10.0 113.189 176.551 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -62.09 -48.09 81.74 Favored 'General case' 0 CA--C 1.536 0.44 0 C-N-CA 124.064 0.945 . . . . 10.0 111.366 175.396 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 63' ' ' THR . . . . . . . . . . . . . 30.8 m -54.71 -49.64 70.23 Favored 'General case' 0 N--CA 1.471 0.589 0 C-N-CA 124.98 1.312 . . . . 10.0 111.58 176.316 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 64' ' ' GLN . . . . . . . . . . . . . 81.8 mt-30 -48.8 -60.0 3.1 Favored 'General case' 0 N--CA 1.471 0.585 0 C-N-CA 125.531 1.532 . . . . 10.0 112.133 172.17 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -56.82 -43.0 80.6 Favored 'General case' 0 CA--C 1.545 0.765 0 C-N-CA 125.317 1.447 . . . . 10.0 113.577 179.681 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -69.06 -39.83 78.9 Favored 'General case' 0 CA--C 1.543 0.701 0 C-N-CA 124.969 1.308 . . . . 10.0 114.433 -178.832 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 67' ' ' ASN . . . . . . . . . . . . . 8.3 m-80 -118.12 39.69 3.34 Favored 'General case' 0 N--CA 1.475 0.794 0 C-N-CA 124.162 0.985 . . . . 10.0 112.71 -169.72 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 68' ' ' GLN . . . . . . . . . . . . . 64.1 mt-30 -52.44 -44.86 65.72 Favored 'General case' 0 N--CA 1.475 0.781 0 C-N-CA 125.61 1.564 . . . . 10.0 112.861 179.427 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -54.28 -49.33 69.84 Favored 'General case' 0 CA--C 1.542 0.659 0 C-N-CA 124.944 1.298 . . . . 10.0 112.636 175.609 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 11.1 mm-40 -59.79 -48.34 82.08 Favored 'General case' 0 N--CA 1.47 0.573 0 C-N-CA 124.192 0.997 . . . . 10.0 111.973 178.1 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 71' ' ' PHE . . . . . . . . . . . . . 25.7 m-85 -65.48 -24.13 67.08 Favored 'General case' 0 N--CA 1.472 0.658 0 N-CA-C 113.919 1.081 . . . . 10.0 113.919 176.541 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 21.7 t -71.33 -56.71 5.44 Favored 'General case' 0 N--CA 1.47 0.542 0 C-N-CA 124.234 1.013 . . . . 10.0 110.575 169.384 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 73' ' ' ARG . . . . . . . . . . . . . 91.4 mtt180 -55.52 -61.39 2.38 Favored 'General case' 0 N--CA 1.476 0.858 0 C-N-CA 127.351 2.261 . . . . 10.0 113.294 179.628 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 77.3 mm-40 -87.13 52.11 2.42 Favored 'General case' 0 N--CA 1.468 0.452 0 C-N-CA 126.454 1.902 . . . . 10.0 112.84 -169.34 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 4.8 ttpm? -147.32 -53.19 0.21 Allowed 'General case' 0 N--CA 1.472 0.646 0 C-N-CA 125.104 1.362 . . . . 10.0 113.225 -176.994 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 76' ' ' GLN . . . . . . . . . . . . . 13.8 mm100 -57.02 -61.94 2.09 Favored 'General case' 0 N--CA 1.472 0.659 0 C-N-CA 124.613 1.165 . . . . 10.0 111.911 -172.085 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 31.4 t70 -82.79 -51.61 7.5 Favored 'General case' 0 CA--C 1.542 0.635 0 C-N-CA 124.363 1.065 . . . . 10.0 110.995 169.85 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 16.6 m -75.72 55.55 0.87 Allowed 'General case' 0 CA--C 1.544 0.729 0 C-N-CA 126.648 1.979 . . . . 10.0 113.322 -177.035 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 64.3 mttp -54.2 -50.99 65.81 Favored 'General case' 0 N--CA 1.479 0.982 0 C-N-CA 125.853 1.661 . . . . 10.0 113.036 -176.833 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 50.3 tp -57.45 -35.16 69.76 Favored 'General case' 0 N--CA 1.472 0.647 0 C-N-CA 125.295 1.438 . . . . 10.0 113.122 177.613 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 81' ' ' HIS . . . . . . . . . . . . . 6.9 t-160 -53.25 -46.16 69.09 Favored 'General case' 0 N--CA 1.469 0.52 0 C-N-CA 124.004 0.922 . . . . 10.0 111.82 -178.368 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 82' ' ' GLN . . . . . . . . . . . . . 85.0 mm-40 -48.06 -55.63 9.71 Favored 'General case' 0 N--CA 1.474 0.775 0 C-N-CA 124.431 1.092 . . . . 10.0 113.227 177.742 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 83' ' ' ARG . . . . . . . . . . . . . 48.3 ttt85 -46.95 -60.07 2.68 Favored 'General case' 0 N--CA 1.481 1.096 0 C-N-CA 124.839 1.256 . . . . 10.0 111.502 177.761 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 84' ' ' VAL . . . . . . . . . . . . . 12.7 t -60.91 -50.47 80.4 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.505 0 C-N-CA 125.941 1.696 . . . . 10.0 110.687 -176.823 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 85' ' ' LEU . . . . . . . . . . . . . 29.9 tp -57.12 -50.39 72.95 Favored 'General case' 0 CA--C 1.539 0.522 0 C-N-CA 126.194 1.798 . . . . 10.0 112.363 178.935 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 86' ' ' TRP . . . . . . . . . . . . . 66.8 m95 -62.17 -44.77 95.86 Favored 'General case' 0 N--CA 1.469 0.496 0 N-CA-C 113.696 0.998 . . . . 10.0 113.696 175.734 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 87' ' ' ARG . . . . . . . . . . . . . 25.5 tpt180 -54.6 -49.32 70.74 Favored 'General case' 0 N--CA 1.474 0.728 0 C-N-CA 123.426 0.69 . . . . 10.0 111.015 172.788 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 88' ' ' LEU . . . . . . . . . . . . . 57.4 tp -57.42 -54.0 51.74 Favored 'General case' 0 CA--C 1.54 0.593 0 C-N-CA 124.19 0.996 . . . . 10.0 112.831 174.091 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 89' ' ' ILE . . . . . . . . . . . . . 68.3 mt -51.04 -52.69 17.05 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.825 0 C-N-CA 124.333 1.053 . . . . 10.0 110.758 176.749 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 95.9 mttt -59.72 -45.14 93.07 Favored 'General case' 0 N--CA 1.47 0.536 0 C-N-CA 124.538 1.135 . . . . 10.0 112.968 178.105 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 22.3 mm-40 -56.1 -49.01 75.06 Favored 'General case' 0 CA--C 1.541 0.601 0 CA-C-N 119.316 0.962 . . . . 10.0 112.376 171.417 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 92' ' ' ILE . . . . . . . . . . . . . 90.5 mt -57.07 -52.36 57.12 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.955 0 C-N-CA 124.537 1.135 . . . . 10.0 111.449 174.434 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 93' ' ' CYS . . . . . . . . . . . . . 83.0 m -55.94 -46.44 78.52 Favored 'General case' 0 CA--C 1.543 0.693 0 C-N-CA 124.293 1.037 . . . . 10.0 112.065 177.479 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 56.1 m -60.03 -44.73 94.43 Favored 'General case' 0 N--CA 1.476 0.841 0 C-N-CA 125.699 1.6 . . . . 10.0 112.99 174.054 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . -64.28 -50.89 66.1 Favored 'General case' 0 CA--C 1.54 0.565 0 C-N-CA 125.488 1.515 . . . . 10.0 113.032 -178.416 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 96' ' ' LYS . . . . . . . . . . . . . 7.5 ptmm? -67.52 92.28 0.31 Allowed 'General case' 0 N--CA 1.476 0.874 0 C-N-CA 124.343 1.057 . . . . 10.0 112.935 -173.107 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 97' ' ' HIS . . . . . . . . . . . . . 6.4 m80 -73.17 153.5 40.68 Favored 'General case' 0 N--CA 1.476 0.831 0 C-N-CA 124.893 1.277 . . . . 10.0 112.343 179.898 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 98' ' ' CYS . . . . . . . . . . . . . 38.4 t -70.11 147.29 50.13 Favored 'General case' 0 CA--C 1.544 0.74 0 C-N-CA 123.335 0.654 . . . . 10.0 111.243 169.376 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 99' ' ' ASP . . . . . . . . . . . . . 31.7 t70 -65.22 -43.62 90.89 Favored 'General case' 0 CA--C 1.545 0.768 0 C-N-CA 124.584 1.154 . . . . 10.0 113.533 176.36 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 100' ' ' PHE . . . . . . . . . . . . . 9.1 p90 -101.35 8.14 42.43 Favored 'General case' 0 CA--C 1.546 0.798 0 N-CA-C 115.884 1.809 . . . . 10.0 115.884 -169.572 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 101' ' ' TRP . . . . . . . . . . . . . 7.9 m0 -56.49 126.07 24.89 Favored 'General case' 0 N--CA 1.475 0.817 0 CA-C-N 120.004 1.275 . . . . 10.0 112.767 177.79 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 102' ' ' LEU . . . . . . . . . . . . . 75.9 mt -74.51 157.37 35.64 Favored 'General case' 0 CA--C 1.541 0.634 0 C-N-CA 126.064 1.746 . . . . 10.0 111.713 179.024 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 13.0 pt-20 -60.58 -37.76 82.37 Favored 'General case' 0 N--CA 1.476 0.831 0 C-N-CA 124.029 0.932 . . . . 10.0 113.247 176.252 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 104' ' ' ARG . . . . . . . . . . . . . 99.9 mtt180 -141.3 149.54 41.37 Favored 'General case' 0 N--CA 1.476 0.84 0 C-N-CA 127.776 2.43 . . . . 10.0 110.263 175.071 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 105' ' ' GLY . . . . . . . . . . . . . . . -178.96 -177.15 47.35 Favored Glycine 0 CA--C 1.535 1.321 0 C-N-CA 124.323 0.963 . . . . 10.0 113.944 -178.835 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 106' ' ' ALA . . . . . . . . . . . . . . . -145.87 176.85 9.37 Favored 'General case' 0 CA--C 1.548 0.882 0 C-N-CA 126.232 1.813 . . . . 10.0 112.024 -179.47 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 107' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.255 1.353 0 C-N-CA 126.593 1.957 . . . . 10.0 111.95 179.592 . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' A' A ' 1' ' ' ARG . . . . . . . . . . . . . 14.2 ptm180 . . . . . 0 N--CA 1.491 1.582 0 N-CA-C 111.301 0.112 . . . . 10.0 111.301 . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' A' A ' 2' ' ' VAL . . . . . . . . . . . . . 11.9 p -62.23 -49.33 84.43 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.114 0 C-N-CA 125.004 1.322 . . . . 10.0 113.207 -177.037 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -152.42 155.21 37.12 Favored 'General case' 0 CA--C 1.538 0.498 0 C-N-CA 125.647 1.579 . . . . 10.0 111.518 -177.047 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 1.1 pm0 -68.19 -19.55 64.78 Favored 'General case' 0 CA--C 1.542 0.642 0 C-N-CA 125.025 1.33 . . . . 10.0 113.683 172.467 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 5' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER -139.06 59.77 1.61 Allowed 'General case' 0 CA--C 1.547 0.846 0 C-N-CA 125.816 1.647 . . . . 10.0 110.684 -179.868 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 7.4 ptm180 -74.1 161.87 76.48 Favored Pre-proline 0 N--CA 1.478 0.944 0 C-N-CA 125.005 1.322 . . . . 10.0 112.122 170.263 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 7' ' ' PRO . . . . . . . . . . . . . 80.8 Cg_exo -46.91 122.4 6.09 Favored 'Trans proline' 0 CA--C 1.537 0.655 0 C-N-CA 123.483 2.788 . . . . 10.0 112.483 169.97 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . 116.4 -21.13 11.96 Favored Glycine 0 CA--C 1.539 1.538 0 C-N-CA 127.558 2.504 . . . . 10.0 113.476 -169.672 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -59.31 135.03 57.52 Favored 'General case' 0 CA--C 1.545 0.785 0 CA-C-N 119.183 1.492 . . . . 10.0 114.149 -170.292 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 10' ' ' PHE . . . . . . . . . . . . . 15.4 m-30 -58.54 143.09 47.08 Favored 'General case' 0 CA--C 1.542 0.637 0 C-N-CA 125.834 1.654 . . . . 10.0 113.261 173.893 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 35.8 mt -126.26 93.28 2.25 Favored 'Isoleucine or valine' 0 CA--C 1.537 0.453 0 C-N-CA 125.183 1.393 . . . . 10.0 107.247 169.548 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 92.7 mttt -86.92 116.89 25.29 Favored 'General case' 0 N--CA 1.472 0.654 0 C-N-CA 125.942 1.697 . . . . 10.0 109.636 175.134 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 13' ' ' GLN . . . . . 0.423 ' NE2' HH21 ' A' ' 15' ' ' ARG . 34.5 mt-30 -120.2 -45.83 2.43 Favored 'General case' 0 N--CA 1.47 0.55 0 C-N-CA 126.022 1.729 . . . . 10.0 110.648 -175.805 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . 119.1 84.35 0.91 Allowed Glycine 0 N--CA 1.469 0.857 0 C-N-CA 125.827 1.68 . . . . 10.0 110.875 175.982 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 15' ' ' ARG . . . . . 0.423 HH21 ' NE2' ' A' ' 13' ' ' GLN . 48.6 ttm-85 -143.08 143.99 32.07 Favored 'General case' 0 N--CA 1.473 0.701 0 C-N-CA 125.496 1.518 . . . . 10.0 111.828 -169.605 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 75.3 tttt -117.58 96.87 5.59 Favored 'General case' 0 N--CA 1.472 0.643 0 C-N-CA 125.839 1.655 . . . . 10.0 110.58 -179.948 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 77.3 mt -78.78 -179.92 6.82 Favored 'General case' 0 CA--C 1.545 0.754 0 C-N-CA 126.411 1.884 . . . . 10.0 112.54 -177.848 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 20.1 t0 -128.12 101.73 6.4 Favored 'General case' 0 CA--C 1.542 0.635 0 C-N-CA 125.86 1.664 . . . . 10.0 110.33 172.729 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . 76.8 mt -135.69 131.76 50.81 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.726 0 C-N-CA 127.226 2.21 . . . . 10.0 107.93 -179.796 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 24.2 t0 -85.3 88.44 7.49 Favored 'General case' 0 CA--C 1.542 0.636 0 CA-C-O 122.163 0.982 . . . . 10.0 110.587 169.91 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 21' ' ' PHE . . . . . . . . . . . . . 84.1 m-85 -66.81 -39.44 87.72 Favored 'General case' 0 CA--C 1.54 0.582 0 C-N-CA 126.349 1.859 . . . . 10.0 111.705 169.944 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 128.03 154.99 8.56 Favored Glycine 0 CA--C 1.534 1.224 0 C-N-CA 128.143 2.782 . . . . 10.0 109.589 -169.639 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -39.87 -57.31 1.61 Allowed 'General case' 0 CA--C 1.547 0.862 0 N-CA-C 115.641 1.719 . . . . 10.0 115.641 -169.604 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 36.2 tt0 -63.69 -45.22 91.02 Favored 'General case' 0 CA--C 1.544 0.739 0 C-N-CA 124.61 1.164 . . . . 10.0 112.767 179.592 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -66.67 -38.54 93.28 Favored Glycine 0 CA--C 1.535 1.294 0 C-N-CA 124.988 1.28 . . . . 10.0 114.122 177.183 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 86.8 m-20 -57.71 -49.88 75.05 Favored 'General case' 0 CA--C 1.536 0.435 0 C-N-CA 126.007 1.723 . . . . 10.0 110.364 173.764 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 99.1 mtt180 -59.29 -45.88 90.05 Favored 'General case' 0 N--CA 1.475 0.776 0 C-N-CA 124.792 1.237 . . . . 10.0 111.492 176.002 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 28' ' ' TYR . . . . . . . . . . . . . 79.2 t80 -58.39 -56.25 24.47 Favored 'General case' 0 CA--C 1.536 0.417 0 C-N-CA 124.256 1.022 . . . . 10.0 112.186 176.469 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 29' ' ' TYR . . . . . . . . . . . . . 76.2 t80 -56.14 -50.34 71.38 Favored 'General case' 0 N--CA 1.468 0.451 0 C-N-CA 123.877 0.871 . . . . 10.0 112.193 177.858 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -51.41 -29.58 16.33 Favored 'General case' 0 CA--C 1.546 0.81 0 N-CA-C 114.241 1.2 . . . . 10.0 114.241 177.675 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -95.99 -24.8 16.2 Favored 'General case' 0 CA--C 1.551 1.017 0 C-N-CA 126.05 1.74 . . . . 10.0 114.884 176.987 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 32' ' ' ASN . . . . . . . . . . . . . 55.8 m-80 -124.43 7.23 8.34 Favored 'General case' 0 CA--C 1.546 0.825 0 N-CA-C 116.065 1.876 . . . . 10.0 116.065 -169.323 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 33' ' ' TYR . . . . . . . . . . . . . 51.5 p90 -43.36 -39.0 2.95 Favored 'General case' 0 N--CA 1.476 0.839 0 C-N-CA 127.511 2.324 . . . . 10.0 114.927 -179.731 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 34' ' ' TRP . . . . . . . . . . . . . 64.2 p-90 -49.9 -33.5 17.46 Favored 'General case' 0 CA--C 1.546 0.794 0 C-N-CA 126.555 1.942 . . . . 10.0 114.663 176.527 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 31.3 mt-30 -70.01 -34.69 73.63 Favored 'General case' 0 N--CA 1.473 0.678 0 C-N-CA 124.73 1.212 . . . . 10.0 114.082 177.476 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 36' ' ' PHE . . . . . . . . . . . . . 44.3 m-85 -70.4 147.82 95.22 Favored Pre-proline 0 CA--C 1.545 0.776 0 C-N-CA 125.197 1.399 . . . . 10.0 113.695 -169.276 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 96.8 Cg_endo -74.52 97.31 1.03 Allowed 'Trans proline' 0 C--N 1.348 0.546 0 C-N-CA 123.95 3.1 . . . . 10.0 110.096 170.432 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 4.5 p-10 -71.23 -17.85 62.48 Favored 'General case' 0 CA--C 1.545 0.756 0 O-C-N 121.108 -0.995 . . . . 10.0 113.347 -179.297 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . -126.71 159.52 20.95 Favored Glycine 0 CA--C 1.536 1.388 0 C-N-CA 126.288 1.899 . . . . 10.0 110.385 168.728 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 40' ' ' ILE . . . . . . . . . . . . . 81.5 mt -137.75 124.57 28.29 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.841 0 C-N-CA 124.529 1.132 . . . . 10.0 109.224 175.371 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 41' ' ' TYR . . . . . . . . . . . . . 54.0 t80 -73.47 94.78 2.14 Favored 'General case' 0 CA--C 1.535 0.365 0 C-N-CA 124.687 1.195 . . . . 10.0 110.277 172.102 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 42' ' ' TYR . . . . . . . . . . . . . 91.2 t80 -154.38 139.31 17.24 Favored 'General case' 0 N--CA 1.467 0.412 0 C-N-CA 124.538 1.135 . . . . 10.0 110.589 174.142 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 44.1 mt-10 -134.28 85.3 2.18 Favored 'General case' 0 CA--C 1.54 0.574 0 C-N-CA 125.789 1.636 . . . . 10.0 110.008 -176.665 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . -80.8 -25.71 55.48 Favored Glycine 0 CA--C 1.534 1.241 0 C-N-CA 124.755 1.169 . . . . 10.0 115.159 -173.378 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 45' ' ' CYS . . . . . . . . . . . . . 69.0 m -61.7 119.31 8.46 Favored 'General case' 0 CA--C 1.543 0.685 0 C-N-CA 125.945 1.698 . . . . 10.0 112.42 -177.461 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 56.6 p -142.23 -77.74 0.26 Allowed 'General case' 0 N--CA 1.471 0.605 0 C-N-CA 125.406 1.482 . . . . 10.0 111.784 -178.902 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 31.4 mm-40 -93.96 145.37 24.69 Favored 'General case' 0 N--CA 1.469 0.494 0 C-N-CA 126.147 1.779 . . . . 10.0 112.212 -176.287 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -55.48 -31.16 61.76 Favored 'General case' 0 CA--C 1.547 0.847 0 C-N-CA 124.818 1.247 . . . . 10.0 113.342 172.729 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 32.1 m120 -68.47 -23.48 64.59 Favored 'General case' 0 CA--C 1.545 0.77 0 C-N-CA 126.355 1.862 . . . . 10.0 114.084 176.56 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 50' ' ' VAL . . . . . 0.494 HG13 ' HE1' ' A' ' 101' ' ' TRP . 0.3 OUTLIER -63.93 154.52 6.56 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.957 0 C-N-CA 123.77 0.828 . . . . 10.0 111.192 178.532 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 27.0 p -130.43 172.34 11.98 Favored 'General case' 0 N--CA 1.479 0.98 0 C-N-CA 125.051 1.34 . . . . 10.0 111.705 -177.188 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 37.5 ttpt -60.78 -50.76 72.14 Favored 'General case' 0 N--CA 1.471 0.609 0 O-C-N 121.763 -0.586 . . . . 10.0 111.816 171.432 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 47.4 mt-10 -51.56 -47.01 63.62 Favored 'General case' 0 N--CA 1.474 0.734 0 C-N-CA 123.488 0.715 . . . . 10.0 112.199 176.997 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 54' ' ' MET . . . . . . . . . . . . . 99.2 mtp -58.11 -57.82 11.17 Favored 'General case' 0 CA--C 1.539 0.52 0 C-N-CA 124.024 0.929 . . . . 10.0 112.292 171.15 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 10.0 tt -57.26 -51.94 67.33 Favored 'General case' 0 N--CA 1.467 0.413 0 C-N-CA 124.242 1.017 . . . . 10.0 112.642 -176.279 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 40.7 t -60.91 -47.3 94.04 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.739 0 C-N-CA 124.732 1.213 . . . . 10.0 111.11 -177.31 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 57' ' ' THR . . . . . . . . . . . . . 58.5 m -57.78 -51.34 69.97 Favored 'General case' 0 N--CA 1.476 0.871 0 C-N-CA 123.998 0.919 . . . . 10.0 111.612 173.629 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 7.0 t -59.92 -42.26 93.52 Favored 'General case' 0 N--CA 1.471 0.575 0 C-N-CA 124.268 1.027 . . . . 10.0 112.566 177.967 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 59' ' ' CYS . . . . . . . . . . . . . 40.9 t -57.84 -50.1 74.44 Favored 'General case' 0 CA--C 1.536 0.405 0 C-N-CA 126.376 1.87 . . . . 10.0 112.667 173.209 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 60' ' ' VAL . . . . . . . . . . . . . 40.3 t -54.83 -48.81 73.37 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.933 0 C-N-CA 124.272 1.029 . . . . 10.0 111.363 172.442 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 61' ' ' ASN . . . . . . . . . . . . . 18.0 m-80 -59.11 -45.66 90.31 Favored 'General case' 0 CA--C 1.546 0.807 0 C-N-CA 124.658 1.183 . . . . 10.0 113.254 174.808 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -60.69 -45.69 93.23 Favored 'General case' 0 CA--C 1.538 0.482 0 C-N-CA 124.473 1.109 . . . . 10.0 111.332 174.908 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 63' ' ' THR . . . . . . . . . . . . . 36.8 m -56.3 -48.14 77.26 Favored 'General case' 0 N--CA 1.471 0.576 0 C-N-CA 125.561 1.544 . . . . 10.0 111.653 175.928 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 64' ' ' GLN . . . . . . . . . . . . . 70.8 mt-30 -50.51 -59.89 3.56 Favored 'General case' 0 N--CA 1.47 0.565 0 C-N-CA 124.096 0.958 . . . . 10.0 111.687 170.71 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -56.45 -41.66 76.86 Favored 'General case' 0 CA--C 1.545 0.776 0 C-N-CA 125.85 1.66 . . . . 10.0 114.044 -178.615 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -69.44 -37.7 77.49 Favored 'General case' 0 CA--C 1.541 0.625 0 C-N-CA 125.141 1.377 . . . . 10.0 114.262 178.969 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 67' ' ' ASN . . . . . . . . . . . . . 7.2 m-80 -122.39 39.78 3.83 Favored 'General case' 0 CA--C 1.546 0.794 0 C-N-CA 124.28 1.032 . . . . 10.0 112.639 -169.769 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 68' ' ' GLN . . . . . . . . . . . . . 88.0 mt-30 -52.81 -47.99 67.25 Favored 'General case' 0 N--CA 1.475 0.782 0 C-N-CA 125.29 1.436 . . . . 10.0 113.105 -176.34 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -55.47 -50.27 70.32 Favored 'General case' 0 CA--C 1.542 0.664 0 C-N-CA 125.066 1.346 . . . . 10.0 112.852 179.354 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 12.3 mm-40 -52.96 -53.88 43.29 Favored 'General case' 0 N--CA 1.472 0.668 0 C-N-CA 125.094 1.358 . . . . 10.0 111.621 178.788 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 71' ' ' PHE . . . . . . . . . . . . . 40.4 m-85 -59.36 -57.16 14.22 Favored 'General case' 0 CA--C 1.535 0.402 0 C-N-CA 123.603 0.761 . . . . 10.0 111.903 175.377 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 62.7 m -53.5 -48.25 69.14 Favored 'General case' 0 N--CA 1.474 0.764 0 C-N-CA 125.493 1.517 . . . . 10.0 113.349 -175.118 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 73' ' ' ARG . . . . . . . . . . . . . 99.0 mtt180 -57.57 -56.63 19.45 Favored 'General case' 0 N--CA 1.475 0.791 0 C-N-CA 125.349 1.46 . . . . 10.0 111.996 177.386 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 30.2 mt-10 -69.1 -46.39 67.84 Favored 'General case' 0 CA--C 1.538 0.498 0 N-CA-C 113.698 0.999 . . . . 10.0 113.698 -174.76 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 21.7 ttmm -43.72 -35.46 1.85 Allowed 'General case' 0 N--CA 1.484 1.238 0 C-N-CA 127.782 2.433 . . . . 10.0 114.839 -177.315 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 76' ' ' GLN . . . . . . . . . . . . . 17.6 mm100 -51.29 -35.63 38.52 Favored 'General case' 0 CA--C 1.544 0.712 0 C-N-CA 126.015 1.726 . . . . 10.0 114.04 175.45 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 32.6 t70 -133.17 -39.92 0.92 Allowed 'General case' 0 N--CA 1.474 0.757 0 C-N-CA 125.755 1.622 . . . . 10.0 113.411 -172.895 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -80.31 53.84 1.87 Allowed 'General case' 0 CA--C 1.544 0.731 0 C-N-CA 126.951 2.1 . . . . 10.0 112.833 -175.015 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 5.3 mptp? -55.0 -48.7 72.99 Favored 'General case' 0 N--CA 1.479 0.997 0 C-N-CA 125.741 1.616 . . . . 10.0 112.673 -175.287 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 50.1 tp -58.04 -50.41 73.52 Favored 'General case' 0 N--CA 1.47 0.545 0 C-N-CA 124.761 1.225 . . . . 10.0 111.962 173.935 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 81' ' ' HIS . . . . . . . . . . . . . 17.8 t-160 -50.44 -47.94 56.57 Favored 'General case' 0 N--CA 1.473 0.686 0 CA-C-O 118.296 -0.859 . . . . 10.0 111.791 -178.868 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 82' ' ' GLN . . . . . . . . . . . . . 83.9 mm-40 -45.94 -55.62 6.54 Favored 'General case' 0 N--CA 1.474 0.761 0 C-N-CA 124.566 1.146 . . . . 10.0 112.619 177.967 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 83' ' ' ARG . . . . . . . . . . . . . 10.9 mpt_? -57.68 -53.93 52.58 Favored 'General case' 0 N--CA 1.479 1.023 0 C-N-CA 124.673 1.189 . . . . 10.0 111.792 -178.206 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 84' ' ' VAL . . . . . . . . . . . . . 20.0 t -56.93 -51.71 64.91 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.775 0 C-N-CA 125.561 1.544 . . . . 10.0 110.597 177.938 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 85' ' ' LEU . . . . . . . . . . . . . 41.4 tp -55.19 -48.93 73.11 Favored 'General case' 0 CA--C 1.536 0.426 0 C-N-CA 126.529 1.932 . . . . 10.0 112.753 177.078 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 86' ' ' TRP . . . . . . . . . . . . . 55.5 m95 -61.31 -44.31 97.42 Favored 'General case' 0 N--CA 1.47 0.54 0 N-CA-C 113.821 1.045 . . . . 10.0 113.821 175.464 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 87' ' ' ARG . . . . . . . . . . . . . 44.6 tpt85 -57.76 -45.44 85.92 Favored 'General case' 0 N--CA 1.476 0.845 0 C-N-CA 123.71 0.804 . . . . 10.0 112.292 173.764 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 88' ' ' LEU . . . . . . . . . . . . . 2.1 tm? -59.93 -52.59 64.75 Favored 'General case' 0 CA--C 1.542 0.657 0 C-N-CA 126.929 2.092 . . . . 10.0 111.93 173.204 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 89' ' ' ILE . . . . . . . . . . . . . 65.3 mt -51.71 -51.29 27.91 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.78 0 C-N-CA 124.322 1.049 . . . . 10.0 110.453 173.971 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 39.6 ttmt -57.5 -43.57 84.31 Favored 'General case' 0 N--CA 1.471 0.601 0 C-N-CA 124.506 1.122 . . . . 10.0 113.108 176.588 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 27.2 tp10 -53.14 -52.33 59.08 Favored 'General case' 0 N--CA 1.472 0.635 0 CA-C-N 119.222 0.919 . . . . 10.0 111.949 172.643 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 92' ' ' ILE . . . . . . . . . . . . . 97.4 mt -59.7 -50.26 80.68 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.752 0 C-N-CA 124.649 1.18 . . . . 10.0 111.303 176.18 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 93' ' ' CYS . . . . . . . . . . . . . 60.8 m -54.88 -45.17 74.61 Favored 'General case' 0 CA--C 1.546 0.808 0 C-N-CA 124.766 1.226 . . . . 10.0 112.464 176.654 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 13.5 t -58.91 -46.2 88.47 Favored 'General case' 0 N--CA 1.476 0.846 0 C-N-CA 125.073 1.349 . . . . 10.0 112.856 171.458 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . -58.07 -41.98 84.55 Favored 'General case' 0 CA--C 1.547 0.85 0 C-N-CA 125.084 1.354 . . . . 10.0 114.3 -176.868 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 96' ' ' LYS . . . . . . . . . . . . . 1.3 ptpm? -73.89 55.0 0.53 Allowed 'General case' 0 N--CA 1.486 1.332 0 C-N-CA 125.663 1.585 . . . . 10.0 113.925 179.171 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 97' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -65.33 149.37 50.1 Favored 'General case' 0 N--CA 1.474 0.763 0 C-N-CA 127.562 2.345 . . . . 10.0 114.251 179.204 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 98' ' ' CYS . . . . . . . . . . . . . 15.6 m -88.17 129.26 35.38 Favored 'General case' 0 CA--C 1.54 0.595 0 C-N-CA 123.942 0.897 . . . . 10.0 111.325 172.425 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 99' ' ' ASP . . . . . . . . . . . . . 6.6 p-10 -64.58 -32.58 74.3 Favored 'General case' 0 CA--C 1.545 0.755 0 C-N-CA 124.421 1.088 . . . . 10.0 113.816 179.698 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 100' ' ' PHE . . . . . . . . . . . . . 14.6 p90 -78.52 -5.79 53.66 Favored 'General case' 0 CA--C 1.543 0.706 0 N-CA-C 115.376 1.621 . . . . 10.0 115.376 -176.041 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 101' ' ' TRP . . . . . 0.494 ' HE1' HG13 ' A' ' 50' ' ' VAL . 17.0 m0 -53.06 121.53 7.61 Favored 'General case' 0 N--CA 1.474 0.732 0 CA-C-N 119.809 1.186 . . . . 10.0 113.303 -175.972 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 102' ' ' LEU . . . . . . . . . . . . . 83.4 mt -74.84 165.22 25.59 Favored 'General case' 0 CA--C 1.543 0.696 0 C-N-CA 126.44 1.896 . . . . 10.0 112.479 -175.716 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 46.6 mt-10 -67.67 105.66 1.97 Allowed 'General case' 0 CA--C 1.544 0.738 0 C-N-CA 124.197 0.999 . . . . 10.0 110.945 173.294 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 104' ' ' ARG . . . . . . . . . . . . . 83.6 mtp180 -71.65 156.12 39.74 Favored 'General case' 0 N--CA 1.476 0.829 0 C-N-CA 125.297 1.439 . . . . 10.0 112.678 -178.767 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 105' ' ' GLY . . . . . . . . . . . . . . . -165.09 156.64 28.74 Favored Glycine 0 CA--C 1.535 1.285 0 C-N-CA 125.684 1.611 . . . . 10.0 112.613 176.784 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 106' ' ' ALA . . . . . . . . . . . . . . . -147.98 167.47 24.8 Favored 'General case' 0 CA--C 1.546 0.81 0 C-N-CA 125.649 1.579 . . . . 10.0 112.283 -178.33 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 107' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.254 1.315 0 C-N-CA 126.678 1.991 . . . . 10.0 111.921 178.451 . . . . . . . . 0 0 . 1 stop_ save_