data_2mz1_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 2mz1 _Structure_validation_residue.Date_analyzed 2016-10-08 loop_ _Residue_analysis_software.Software_ID _Residue_analysis_software.Software_label _Residue_analysis_software.Method_ID _Residue_analysis_software.Method_label _Residue_analysis_software.Entry_ID _Residue_analysis_software.Structure_validation_oneline_list_ID 1 MolProbity . . ? 1 2 CYRANGE . . ? 1 stop_ loop_ _Residue_analysis.ID _Residue_analysis.PDB_model_num _Residue_analysis.Hydrogen_positions _Residue_analysis.MolProbity_flips _Residue_analysis.Cyrange_core_flag _Residue_analysis.Two_letter_chain_ID _Residue_analysis.PDB_strand_ID _Residue_analysis.PDB_residue_no _Residue_analysis.PDB_ins_code _Residue_analysis.PDB_residue_name _Residue_analysis.Assembly_ID _Residue_analysis.Entity_assembly_ID _Residue_analysis.Entity_ID _Residue_analysis.Comp_ID _Residue_analysis.Comp_index_ID _Residue_analysis.Clash_value _Residue_analysis.Clash_source_PDB_atom_name _Residue_analysis.Clash_destination_PDB_atom_name _Residue_analysis.Clash_destination_PDB_strand_ID _Residue_analysis.Clash_destination_PDB_residue_no _Residue_analysis.Clash_destination_PDB_ins_code _Residue_analysis.Clash_destination_PDB_residue_name _Residue_analysis.Cbeta_deviation_value _Residue_analysis.Rotamer_score _Residue_analysis.Rotamer_name _Residue_analysis.Ramachandran_phi _Residue_analysis.Ramachandran_psi _Residue_analysis.Ramachandran_score _Residue_analysis.Ramachandran_evaluation _Residue_analysis.Ramachandran_type _Residue_analysis.Bond_outlier_count _Residue_analysis.Worst_bond _Residue_analysis.Worst_bond_value _Residue_analysis.Worst_bond_sigma _Residue_analysis.Angle_outlier_count _Residue_analysis.Worst_angle _Residue_analysis.Worst_angle_value _Residue_analysis.Worst_angle_sigma _Residue_analysis.RNA_phosphate_perpendicular_outlier _Residue_analysis.RNA_suitness_score _Residue_analysis.RNA_suite_conformer _Residue_analysis.RNA_suite_triage _Residue_analysis.Max_b_factor _Residue_analysis.Tau_angle _Residue_analysis.Omega_dihedral _Residue_analysis.Disulfide_chi1 _Residue_analysis.Disulfide_chi2 _Residue_analysis.Disulfide_chi3 _Residue_analysis.Disulfide_ss_angle _Residue_analysis.Disulfide_ss _Residue_analysis.Disulfide_ss_angle_prime _Residue_analysis.Disulfide_chi2prime _Residue_analysis.Disulfide_chi1prime _Residue_analysis.Outlier_count_separate_geometry _Residue_analysis.Outlier_count _Residue_analysis.Entry_ID _Residue_analysis.Structure_validation_residue_list_ID . 001 nuclear orig core ' A' A ' 4' ' ' ASN . . . . . . . . . . . . . 58.9 t30 . . . . . 0 CA--C 1.533 0.312 0 CA-C-O 120.4 0.143 . . . . 0.0 111.081 . . . . . . . . . 0 0 . 1 . 001 nuclear orig core ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 86.0 t -94.53 132.39 38.69 Favored 'Isoleucine or valine' 0 N--CA 1.457 -0.097 0 C-N-CA 122.907 0.483 . . . . 0.0 111.316 -175.649 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 76.0 p -150.88 6.33 0.52 Allowed 'General case' 0 C--O 1.224 -0.272 0 C-N-CA 123.85 0.86 . . . . 0.0 111.905 -178.065 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 7' ' ' ASN . . . . . . . . . . . . . 37.1 p30 . . . . . 0 CA--C 1.53 0.181 0 N-CA-C 114.244 1.201 . . . . 0.0 114.244 -172.986 . . . . . . . . 0 0 . 1 . 001 nuclear orig core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 80.4 p . . . . . 0 N--CA 1.456 -0.165 0 CA-C-O 120.239 0.066 . . . . 0.0 110.983 . . . . . . . . . 0 0 . 1 . 001 nuclear orig core ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 28.5 ttp-105 -101.14 153.42 19.6 Favored 'General case' 0 C--N 1.341 0.2 0 C-N-CA 123.387 0.675 . . . . 0.0 110.016 177.308 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 62.2 t -126.54 130.24 71.74 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.294 0 C-N-CA 123.289 0.636 . . . . 0.0 110.147 178.047 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 18.1 t80 -89.54 131.25 35.65 Favored 'General case' 0 N--CA 1.454 -0.264 0 C-N-CA 123.873 0.869 . . . . 0.0 109.192 174.979 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 55.8 mt -120.73 85.91 0.96 Allowed 'Isoleucine or valine' 0 N--CA 1.456 -0.164 0 N-CA-C 107.973 -1.121 . . . . 0.0 107.973 179.806 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -86.41 175.15 47.49 Favored Glycine 0 CA--C 1.526 0.765 0 N-CA-C 110.883 -0.887 . . . . 0.0 110.883 178.532 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 9.8 t30 51.15 41.71 27.96 Favored 'General case' 0 CA--C 1.533 0.291 0 C-N-CA 123.028 0.531 . . . . 0.0 110.916 179.229 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 56.0 tp -94.14 145.67 24.53 Favored 'General case' 0 N--CA 1.455 -0.202 0 C-N-CA 123.546 0.738 . . . . 0.0 109.862 -179.334 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 24' ' ' ASN . . . . . 0.418 ' C ' ' H ' ' A' ' 26' ' ' LEU . 64.0 t30 -69.94 -39.23 76.2 Favored 'General case' 0 CA--C 1.527 0.086 0 O-C-N 121.868 -0.52 . . . . 0.0 111.189 -178.903 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 30.9 p 56.59 -5.95 0.03 OUTLIER 'General case' 0 N--CA 1.466 0.358 0 C-N-CA 127.056 2.142 . . . . 0.0 115.457 179.37 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 26' ' ' LEU . . . . . 0.418 ' H ' ' C ' ' A' ' 24' ' ' ASN . 3.8 mm? -87.98 -16.45 33.72 Favored 'General case' 0 N--CA 1.454 -0.249 0 C-N-CA 123.186 0.594 . . . . 0.0 111.549 177.761 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 61.6 t -126.88 -18.37 2.68 Favored 'Isoleucine or valine' 0 C--O 1.231 0.111 0 C-N-CA 122.531 0.332 . . . . 0.0 110.57 179.562 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 60.8 t -111.2 135.09 51.45 Favored 'Isoleucine or valine' 0 C--O 1.231 0.125 0 O-C-N 122.099 -0.376 . . . . 0.0 110.34 177.569 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 3.9 mptp? -129.88 174.25 9.92 Favored 'General case' 0 CA--C 1.523 -0.064 0 C-N-CA 123.912 0.885 . . . . 0.0 109.855 -178.17 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 11.3 ptmt -65.5 -6.2 10.0 Favored 'General case' 0 CA--C 1.529 0.17 0 C-N-CA 123.777 0.831 . . . . 0.0 112.494 -179.485 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 43.8 m -98.58 0.47 44.96 Favored 'General case' 0 N--CA 1.455 -0.216 0 C-N-CA 123.343 0.657 . . . . 0.0 110.534 175.183 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 26.2 m-20 -117.19 -34.41 4.36 Favored 'General case' 0 N--CA 1.454 -0.27 0 C-N-CA 123.914 0.886 . . . . 0.0 110.743 -179.755 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 92.6 t -64.65 -31.32 53.2 Favored 'Isoleucine or valine' 0 CA--C 1.527 0.089 0 N-CA-C 109.107 -0.701 . . . . 0.0 109.107 178.894 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 25.5 pt-20 -79.52 7.26 8.5 Favored 'General case' 0 CA--C 1.53 0.201 0 C-N-CA 122.499 0.319 . . . . 0.0 111.719 178.63 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -125.07 -8.4 7.13 Favored 'General case' 0 CA--C 1.531 0.247 0 C-N-CA 123.337 0.655 . . . . 0.0 110.942 176.18 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 72.0 mt -108.96 -27.46 2.93 Favored 'Isoleucine or valine' 0 CA--C 1.531 0.214 0 C-N-CA 123.084 0.554 . . . . 0.0 111.068 178.704 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 37' ' ' PHE . . . . . . . . . . . . . 60.4 m-85 -103.55 -6.76 21.41 Favored 'General case' 0 CA--C 1.529 0.15 0 C-N-CA 122.797 0.439 . . . . 0.0 110.839 179.807 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 71.2 p -74.91 -13.96 60.6 Favored 'General case' 0 N--CA 1.457 -0.107 0 C-N-CA 122.561 0.345 . . . . 0.0 111.511 -179.732 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 18.6 ptmt -81.9 -11.52 58.87 Favored 'General case' 0 CA--C 1.531 0.24 0 C-N-CA 123.25 0.62 . . . . 0.0 112.094 179.554 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 40' ' ' TYR . . . . . . . . . . . . . 67.8 m-85 -106.48 -15.63 14.75 Favored 'General case' 0 CA--C 1.53 0.175 0 C-N-CA 122.416 0.286 . . . . 0.0 111.33 178.168 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -174.49 161.81 31.79 Favored Glycine 0 CA--C 1.521 0.453 0 N-CA-C 111.891 -0.484 . . . . 0.0 111.891 174.671 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 77.6 tttt -73.08 114.46 11.28 Favored 'General case' 0 N--CA 1.451 -0.409 0 N-CA-C 108.991 -0.744 . . . . 0.0 108.991 177.422 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 43' ' ' ILE . . . . . . . . . . . . . 77.9 mt -83.33 129.65 37.12 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.264 0 N-CA-C 109.509 -0.552 . . . . 0.0 109.509 -178.17 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 33.8 m -109.15 -4.89 10.79 Favored 'Isoleucine or valine' 0 CA--C 1.527 0.066 0 C-N-CA 123.073 0.549 . . . . 0.0 110.508 179.108 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . -173.1 147.76 9.9 Favored Glycine 0 C--N 1.337 0.612 0 N-CA-C 109.78 -1.328 . . . . 0.0 109.78 177.167 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 46' ' ' CYS . . . . . . . . . . . . . 50.6 t -152.56 145.8 24.7 Favored 'General case' 0 N--CA 1.452 -0.369 0 N-CA-C 109.913 -0.403 . . . . 0.0 109.913 179.338 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 91.7 p -149.14 146.99 27.94 Favored 'General case' 0 N--CA 1.451 -0.377 0 N-CA-C 109.755 -0.461 . . . . 0.0 109.755 177.29 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 48' ' ' VAL . . . . . . . . . . . . . 94.5 t -124.41 147.01 29.04 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.158 0 N-CA-C 109.158 -0.682 . . . . 0.0 109.158 175.628 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 49' ' ' HIS . . . . . . . . . . . . . 45.8 m-70 -136.25 -166.53 1.89 Allowed 'General case' 0 N--CA 1.449 -0.489 0 C-N-CA 124.239 1.016 . . . . 0.0 108.265 -176.042 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 75.5 mmtt -87.13 116.89 25.5 Favored 'General case' 0 C--O 1.232 0.145 0 CA-C-N 118.433 0.56 . . . . 0.0 110.035 177.441 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 80.81 -9.39 52.36 Favored Glycine 0 CA--C 1.53 0.987 0 C-N-CA 123.842 0.734 . . . . 0.0 113.608 178.088 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 50.6 p90 -149.96 168.19 24.52 Favored 'General case' 0 CA--C 1.53 0.174 0 CA-C-N 118.827 1.314 . . . . 0.0 111.672 178.795 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -148.51 170.75 17.36 Favored 'General case' 0 N--CA 1.455 -0.207 0 C-N-CA 123.865 0.866 . . . . 0.0 110.129 176.403 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 54' ' ' PHE . . . . . . . . . . . . . 21.7 m-85 -138.24 145.98 42.01 Favored 'General case' 0 N--CA 1.453 -0.284 0 C-N-CA 123.762 0.825 . . . . 0.0 110.4 179.268 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 96.6 t -134.81 136.65 51.95 Favored 'Isoleucine or valine' 0 CA--C 1.518 -0.251 0 N-CA-C 108.834 -0.802 . . . . 0.0 108.834 177.813 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 56' ' ' GLN . . . . . . . . . . . . . 61.1 tp60 -116.16 128.33 55.54 Favored 'General case' 0 N--CA 1.449 -0.507 0 N-CA-C 109.307 -0.627 . . . . 0.0 109.307 -176.675 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 57' ' ' TYR . . . . . . . . . . . . . 37.7 m-85 -111.69 175.97 5.21 Favored 'General case' 0 N--CA 1.454 -0.246 0 C-N-CA 123.473 0.709 . . . . 0.0 110.907 -179.706 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 58' ' ' VAL . . . . . . . . . . . . . 79.4 t -72.68 -29.98 32.02 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.251 0 CA-C-N 115.982 -0.553 . . . . 0.0 110.486 179.056 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 59' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -156.89 169.33 25.02 Favored 'General case' 0 N--CA 1.455 -0.224 0 N-CA-C 112.257 0.465 . . . . 0.0 112.257 177.901 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 61.5 tt0 -58.96 -31.61 68.88 Favored 'General case' 0 N--CA 1.455 -0.184 0 C-N-CA 123.263 0.625 . . . . 0.0 111.969 -178.173 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 19.2 tpp180 -59.48 -38.72 81.59 Favored 'General case' 0 N--CA 1.462 0.138 0 CA-C-N 118.941 0.791 . . . . 0.0 110.227 -179.187 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 62' ' ' ASN . . . . . . . . . . . . . 19.1 m120 -70.52 -25.8 63.29 Favored 'General case' 0 N--CA 1.452 -0.364 0 C-N-CA 120.877 -0.329 . . . . 0.0 110.862 179.881 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -74.99 -35.36 62.03 Favored 'General case' 0 N--CA 1.454 -0.259 0 N-CA-C 110.029 -0.36 . . . . 0.0 110.029 178.365 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 64' ' ' ARG . . . . . . . . . . . . . 38.8 mmt180 -69.38 -27.33 65.22 Favored 'General case' 0 N--CA 1.462 0.15 0 N-CA-C 110.261 -0.274 . . . . 0.0 110.261 178.585 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -78.35 -32.7 49.22 Favored 'General case' 0 N--CA 1.454 -0.253 0 O-C-N 122.545 -0.097 . . . . 0.0 110.855 -178.895 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -83.84 -34.5 24.65 Favored 'General case' 0 N--CA 1.454 -0.249 0 O-C-N 122.239 -0.288 . . . . 0.0 111.574 179.736 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 67' ' ' VAL . . . . . . . . . . . . . 48.4 t -65.38 -31.53 54.25 Favored 'Isoleucine or valine' 0 N--CA 1.457 -0.094 0 N-CA-C 110.003 -0.369 . . . . 0.0 110.003 175.479 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -95.26 -9.38 33.34 Favored 'General case' 0 CA--C 1.53 0.185 0 N-CA-C 112.189 0.44 . . . . 0.0 112.189 177.901 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . -102.0 -14.59 28.49 Favored Glycine 0 CA--C 1.53 0.97 0 CA-C-O 119.302 -0.721 . . . . 0.0 113.972 -178.082 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 43.1 mm-40 -132.38 -19.3 2.46 Favored 'General case' 0 CA--C 1.528 0.124 0 CA-C-N 118.559 1.179 . . . . 0.0 112.394 -173.939 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 20.7 t70 -61.47 118.16 6.64 Favored 'General case' 0 N--CA 1.455 -0.22 0 O-C-N 121.076 -1.015 . . . . 0.0 109.649 178.252 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . 87.67 9.69 71.39 Favored Glycine 0 C--N 1.338 0.641 0 N-CA-C 111.311 -0.716 . . . . 0.0 111.311 179.064 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 73' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -75.91 169.53 17.97 Favored 'General case' 0 N--CA 1.451 -0.397 0 N-CA-C 106.604 -1.628 . . . . 0.0 106.604 171.83 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 74' ' ' MET . . . . . . . . . . . . . 31.6 ttm -115.21 120.26 39.12 Favored 'General case' 0 N--CA 1.449 -0.497 0 N-CA-C 108.885 -0.783 . . . . 0.0 108.885 -176.734 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 75' ' ' ILE . . . . . . . . . . . . . 0.2 OUTLIER -127.35 136.23 61.17 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.418 0 N-CA-C 109.556 -0.535 . . . . 0.0 109.556 179.594 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . 54.46 18.77 2.07 Favored 'General case' 0 CA--C 1.533 0.309 0 C-N-CA 123.416 0.686 . . . . 0.0 111.872 -174.256 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 88.33 5.58 75.66 Favored Glycine 0 CA--C 1.528 0.861 0 CA-C-O 119.848 -0.418 . . . . 0.0 112.163 -179.22 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 78' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -126.07 134.28 51.44 Favored 'General case' 0 N--CA 1.452 -0.332 0 CA-C-N 117.861 0.83 . . . . 0.0 110.419 -179.832 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 79' ' ' VAL . . . . . . . . . . . . . 76.6 t -63.12 141.78 17.66 Favored 'Isoleucine or valine' 0 N--CA 1.461 0.101 0 C-N-CA 124.46 1.104 . . . . 0.0 110.98 -178.919 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 30.3 mt -97.16 155.7 16.72 Favored 'General case' 0 N--CA 1.456 -0.132 0 CA-C-O 120.81 0.338 . . . . 0.0 111.226 175.829 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 81' ' ' ASP . . . . . . . . . . . . . 36.9 t70 -122.75 102.94 8.33 Favored 'General case' 0 N--CA 1.454 -0.246 0 N-CA-C 107.584 -1.265 . . . . 0.0 107.584 173.981 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 82' ' ' ILE . . . . . . . . . . . . . 59.4 mt -116.45 139.37 43.52 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.189 0 CA-C-N 115.942 -0.572 . . . . 0.0 110.142 -170.739 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 83' ' ' ASN . . . . . . . . . . . . . 2.9 t30 -155.26 161.59 41.1 Favored 'General case' 0 N--CA 1.452 -0.365 0 C-N-CA 122.818 0.447 . . . . 0.0 109.915 -175.255 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 84' ' ' LEU . . . . . . . . . . . . . 6.1 tp -60.12 146.44 43.18 Favored 'General case' 0 N--CA 1.452 -0.367 0 N-CA-C 109.141 -0.688 . . . . 0.0 109.141 173.704 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.534 0.337 0 N-CA-C 113.24 0.83 . . . . 0.0 113.24 -177.739 . . . . . . . . 0 0 . 1 . 001 nuclear orig core ' A' A ' 98' ' ' LYS . . . . . . . . . . . . . 35.5 mmtp . . . . . 0 CA--C 1.529 0.171 0 CA-C-O 120.536 0.208 . . . . 0.0 110.956 . . . . . . . . . 0 0 . 1 . 001 nuclear orig core ' A' A ' 99' ' ' ARG . . . . . 0.425 ' HG3' ' H ' ' A' ' 100' ' ' SER . 19.9 tpt180 -100.59 177.77 4.91 Favored 'General case' 0 C--N 1.333 -0.117 0 C-N-CA 124.25 1.02 . . . . 0.0 109.124 -179.632 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 100' ' ' SER . . . . . 0.425 ' H ' ' HG3' ' A' ' 99' ' ' ARG . 69.3 m -59.94 -18.27 43.94 Favored 'General case' 0 N--CA 1.455 -0.215 0 C-N-CA 122.939 0.496 . . . . 0.0 111.962 177.83 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 101' ' ' ALA . . . . . . . . . . . . . . . 52.13 17.72 0.74 Allowed 'General case' 0 CA--C 1.534 0.349 0 C-N-CA 124.084 0.954 . . . . 0.0 112.242 -177.213 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -148.16 7.95 0.82 Allowed 'General case' 0 N--CA 1.452 -0.327 0 C-N-CA 123.492 0.717 . . . . 0.0 111.45 -177.925 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 18.7 pt-20 -71.64 -6.15 38.87 Favored 'General case' 0 CA--C 1.532 0.251 0 N-CA-C 111.922 0.342 . . . . 0.0 111.922 -177.57 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 104' ' ' MET . . . . . . . . . . . . . 72.7 mtm -103.74 6.65 36.97 Favored 'General case' 0 CA--C 1.529 0.163 0 C-N-CA 123.846 0.858 . . . . 0.0 111.135 178.356 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 105' ' ' TYR . . . . . . . . . . . . . 60.3 m-85 -129.0 5.15 5.35 Favored 'General case' 0 CA--C 1.532 0.276 0 C-N-CA 123.171 0.588 . . . . 0.0 111.245 -177.675 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 106' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--N 1.336 0.555 0 N-CA-C 110.948 -0.861 . . . . 0.0 110.948 -179.719 . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A ' 4' ' ' ASN . . . . . . . . . . . . . 3.4 p-10 . . . . . 0 CA--C 1.532 0.257 0 N-CA-C 111.307 0.114 . . . . 0.0 111.307 . . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 90.5 t -99.79 136.18 32.14 Favored 'Isoleucine or valine' 0 C--O 1.233 0.213 0 C-N-CA 122.839 0.455 . . . . 0.0 111.117 -176.02 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 67.6 p -149.02 7.72 0.72 Allowed 'General case' 0 CA--C 1.529 0.147 0 C-N-CA 123.546 0.739 . . . . 0.0 111.955 -178.261 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 7' ' ' ASN . . . . . . . . . . . . . 45.4 t30 . . . . . 0 CA--C 1.534 0.342 0 O-C-N 121.171 -0.956 . . . . 0.0 112.715 -173.935 . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 78.2 p . . . . . 0 CA--C 1.53 0.196 0 N-CA-C 111.009 0.003 . . . . 0.0 111.009 . . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 26.3 ttp-105 -100.67 151.59 21.46 Favored 'General case' 0 C--N 1.339 0.116 0 C-N-CA 123.345 0.658 . . . . 0.0 110.095 177.753 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 74.6 t -126.21 129.41 72.09 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.249 0 C-N-CA 123.207 0.603 . . . . 0.0 110.067 178.143 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 14.1 t80 -88.19 133.15 34.1 Favored 'General case' 0 N--CA 1.451 -0.376 0 N-CA-C 109.157 -0.682 . . . . 0.0 109.157 175.232 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 60.3 mt -120.91 84.63 0.86 Allowed 'Isoleucine or valine' 0 N--CA 1.457 -0.122 0 N-CA-C 108.002 -1.11 . . . . 0.0 108.002 179.184 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -85.13 173.92 48.88 Favored Glycine 0 CA--C 1.524 0.61 0 N-CA-C 110.928 -0.869 . . . . 0.0 110.928 178.389 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 64.8 t30 49.42 47.23 22.68 Favored 'General case' 0 CA--C 1.533 0.291 0 C-N-CA 122.97 0.508 . . . . 0.0 110.916 -179.1 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 57.8 tp -98.7 144.75 27.62 Favored 'General case' 0 N--CA 1.453 -0.284 0 C-N-CA 123.327 0.651 . . . . 0.0 109.391 179.982 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 65.5 t30 -69.41 -42.3 75.25 Favored 'General case' 0 CA--C 1.53 0.197 0 CA-C-N 117.774 0.261 . . . . 0.0 110.946 -178.194 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 31.1 p 59.06 -7.2 0.05 OUTLIER 'General case' 0 N--CA 1.468 0.466 0 C-N-CA 127.125 2.17 . . . . 0.0 115.094 179.167 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 70.6 mt -79.63 -25.57 41.38 Favored 'General case' 0 N--CA 1.452 -0.33 0 CA-C-N 118.25 0.477 . . . . 0.0 111.661 175.862 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 49.3 t -119.68 -23.35 3.46 Favored 'Isoleucine or valine' 0 CA--C 1.531 0.237 0 C-N-CA 122.828 0.451 . . . . 0.0 111.627 -177.763 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 48.3 t -103.29 142.15 17.71 Favored 'Isoleucine or valine' 0 C--O 1.232 0.138 0 CA-C-N 118.107 0.412 . . . . 0.0 109.93 178.341 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 2.3 mptp? -134.45 172.95 12.19 Favored 'General case' 0 C--N 1.339 0.133 0 C-N-CA 123.66 0.784 . . . . 0.0 109.9 -178.51 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 11.3 ptmt -65.45 -6.47 10.55 Favored 'General case' 0 C--O 1.226 -0.158 0 C-N-CA 124.029 0.932 . . . . 0.0 112.102 179.586 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 36.6 m -98.0 -0.45 44.66 Favored 'General case' 0 CA--C 1.531 0.225 0 C-N-CA 123.566 0.746 . . . . 0.0 110.774 175.232 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 23.1 m-20 -115.54 -33.92 5.06 Favored 'General case' 0 N--CA 1.453 -0.314 0 C-N-CA 124.096 0.959 . . . . 0.0 110.659 179.89 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 75.0 t -62.72 -32.86 57.1 Favored 'Isoleucine or valine' 0 CA--C 1.528 0.124 0 N-CA-C 109.318 -0.623 . . . . 0.0 109.318 178.199 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 19.9 pt-20 -78.62 7.77 6.32 Favored 'General case' 0 CA--C 1.53 0.183 0 N-CA-C 112.033 0.383 . . . . 0.0 112.033 178.301 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -126.53 -7.52 6.3 Favored 'General case' 0 CA--C 1.532 0.259 0 C-N-CA 123.275 0.63 . . . . 0.0 111.007 176.919 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 80.5 mt -110.57 -26.92 2.99 Favored 'Isoleucine or valine' 0 CA--C 1.528 0.117 0 C-N-CA 123.071 0.548 . . . . 0.0 110.861 179.409 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 37' ' ' PHE . . . . . . . . . . . . . 67.2 m-85 -105.71 -5.88 19.59 Favored 'General case' 0 N--CA 1.455 -0.209 0 C-N-CA 122.492 0.317 . . . . 0.0 110.977 179.955 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 68.2 p -75.69 -14.37 60.35 Favored 'General case' 0 CA--C 1.524 -0.055 0 C-N-CA 122.621 0.369 . . . . 0.0 111.463 179.505 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 18.7 ptmt -81.69 -10.97 59.25 Favored 'General case' 0 CA--C 1.531 0.212 0 C-N-CA 123.022 0.529 . . . . 0.0 112.299 179.399 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 40' ' ' TYR . . . . . . . . . . . . . 68.9 m-85 -106.95 -14.38 14.97 Favored 'General case' 0 C--N 1.338 0.108 0 CA-C-N 117.867 0.303 . . . . 0.0 111.432 178.194 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -176.56 163.63 32.86 Favored Glycine 0 CA--C 1.523 0.573 0 N-CA-C 111.914 -0.475 . . . . 0.0 111.914 174.865 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 78.0 tttt -74.24 112.96 10.9 Favored 'General case' 0 N--CA 1.454 -0.26 0 N-CA-C 108.71 -0.848 . . . . 0.0 108.71 177.99 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 43' ' ' ILE . . . . . . . . . . . . . 74.4 mt -81.89 130.08 36.4 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.354 0 N-CA-C 109.545 -0.539 . . . . 0.0 109.545 -179.223 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 34.0 m -108.87 -8.42 11.19 Favored 'Isoleucine or valine' 0 C--O 1.228 -0.043 0 C-N-CA 123.3 0.64 . . . . 0.0 110.622 178.549 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . -169.63 148.65 12.16 Favored Glycine 0 CA--C 1.524 0.626 0 N-CA-C 109.85 -1.3 . . . . 0.0 109.85 177.621 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 46' ' ' CYS . . . . . . . . . . . . . 26.4 p -153.14 152.47 31.31 Favored 'General case' 0 N--CA 1.449 -0.48 0 CA-C-N 116.95 0.375 . . . . 0.0 110.042 179.913 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 96.4 p -155.54 149.81 25.84 Favored 'General case' 0 N--CA 1.454 -0.272 0 CA-C-O 120.957 0.408 . . . . 0.0 110.102 177.187 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 48' ' ' VAL . . . . . . . . . . . . . 98.6 t -125.94 146.36 31.85 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.235 0 N-CA-C 108.947 -0.76 . . . . 0.0 108.947 175.391 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 49' ' ' HIS . . . . . . . . . . . . . 51.4 m-70 -134.38 -166.06 1.75 Allowed 'General case' 0 N--CA 1.446 -0.635 0 C-N-CA 124.298 1.039 . . . . 0.0 108.39 -176.619 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 75.5 mmtt -87.74 116.62 26.02 Favored 'General case' 0 N--CA 1.457 -0.112 0 O-C-N 122.002 -0.436 . . . . 0.0 109.904 176.26 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 81.4 -7.84 60.05 Favored Glycine 0 CA--C 1.531 1.048 0 CA-C-O 119.107 -0.829 . . . . 0.0 113.77 178.238 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 44.1 p90 -152.82 171.95 17.47 Favored 'General case' 0 CA--C 1.528 0.111 0 CA-C-N 119.058 1.429 . . . . 0.0 111.703 178.543 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -150.63 172.55 15.35 Favored 'General case' 0 N--CA 1.453 -0.286 0 C-N-CA 124.092 0.957 . . . . 0.0 110.214 177.479 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 54' ' ' PHE . . . . . . . . . . . . . 12.2 m-85 -140.05 147.6 40.56 Favored 'General case' 0 N--CA 1.454 -0.258 0 C-N-CA 123.777 0.831 . . . . 0.0 110.702 178.852 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 93.9 t -135.51 138.3 48.41 Favored 'Isoleucine or valine' 0 CA--C 1.517 -0.315 0 C-N-CA 123.665 0.786 . . . . 0.0 109.368 177.55 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 56' ' ' GLN . . . . . . . . . . . . . 62.9 tp60 -117.99 129.58 55.67 Favored 'General case' 0 N--CA 1.451 -0.408 0 N-CA-C 109.381 -0.6 . . . . 0.0 109.381 -177.572 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 57' ' ' TYR . . . . . . . . . . . . . 44.2 m-85 -112.43 176.11 5.15 Favored 'General case' 0 N--CA 1.455 -0.176 0 C-N-CA 123.426 0.69 . . . . 0.0 111.043 -179.976 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 58' ' ' VAL . . . . . . . . . . . . . 77.5 t -72.32 -31.34 38.44 Favored 'Isoleucine or valine' 0 CA--C 1.528 0.112 0 CA-C-N 116.36 -0.382 . . . . 0.0 110.273 178.539 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 59' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -155.33 168.68 26.29 Favored 'General case' 0 N--CA 1.453 -0.294 0 N-CA-C 112.108 0.41 . . . . 0.0 112.108 178.734 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 84.9 tt0 -59.01 -30.94 68.37 Favored 'General case' 0 CA--C 1.53 0.175 0 C-N-CA 123.75 0.82 . . . . 0.0 112.321 -178.184 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 23.0 tpt180 -59.11 -39.32 81.91 Favored 'General case' 0 CA--C 1.52 -0.193 0 CA-C-N 119.064 0.847 . . . . 0.0 110.067 179.619 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 62' ' ' ASN . . . . . . . . . . . . . 19.5 m120 -71.22 -25.72 62.62 Favored 'General case' 0 N--CA 1.448 -0.564 0 C-N-CA 120.943 -0.303 . . . . 0.0 110.904 -179.481 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -74.82 -38.01 62.17 Favored 'General case' 0 N--CA 1.451 -0.414 0 N-CA-C 110.439 -0.208 . . . . 0.0 110.439 177.778 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 64' ' ' ARG . . . . . . . . . . . . . 36.8 mmt180 -68.57 -26.15 65.26 Favored 'General case' 0 C--N 1.337 0.05 0 O-C-N 122.405 -0.184 . . . . 0.0 110.737 179.141 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -80.27 -32.39 38.24 Favored 'General case' 0 N--CA 1.455 -0.186 0 CA-C-N 117.512 0.142 . . . . 0.0 111.06 -179.616 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -81.71 -35.08 30.2 Favored 'General case' 0 N--CA 1.451 -0.39 0 O-C-N 122.435 -0.166 . . . . 0.0 111.082 179.015 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 67' ' ' VAL . . . . . . . . . . . . . 44.3 t -65.04 -34.2 68.97 Favored 'Isoleucine or valine' 0 C--O 1.227 -0.128 0 N-CA-C 110.022 -0.362 . . . . 0.0 110.022 175.604 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -91.14 -10.66 41.05 Favored 'General case' 0 N--CA 1.457 -0.121 0 N-CA-C 112.03 0.381 . . . . 0.0 112.03 178.585 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . -101.77 -13.91 30.86 Favored Glycine 0 CA--C 1.529 0.96 0 CA-C-O 119.263 -0.743 . . . . 0.0 113.878 -178.032 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 45.5 mm-40 -133.08 -20.69 2.15 Favored 'General case' 0 N--CA 1.464 0.257 0 CA-C-N 118.714 1.257 . . . . 0.0 112.476 -173.683 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 19.5 t0 -61.74 117.88 6.41 Favored 'General case' 0 N--CA 1.454 -0.249 0 CA-C-N 119.185 0.902 . . . . 0.0 110.192 178.816 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . 87.62 9.88 71.2 Favored Glycine 0 CA--C 1.523 0.54 0 N-CA-C 110.96 -0.856 . . . . 0.0 110.96 179.523 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 73' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -75.38 169.8 17.35 Favored 'General case' 0 N--CA 1.453 -0.279 0 N-CA-C 106.289 -1.745 . . . . 0.0 106.289 171.727 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 74' ' ' MET . . . . . . . . . . . . . 33.3 ttm -115.3 120.57 40.09 Favored 'General case' 0 N--CA 1.448 -0.526 0 N-CA-C 109.139 -0.689 . . . . 0.0 109.139 -176.945 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 75' ' ' ILE . . . . . . . . . . . . . 0.2 OUTLIER -127.76 135.68 62.41 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.317 0 CA-C-N 115.975 -0.557 . . . . 0.0 109.541 179.437 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . 54.54 17.44 1.64 Allowed 'General case' 0 CA--C 1.536 0.412 0 C-N-CA 123.181 0.592 . . . . 0.0 112.291 -174.391 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 89.92 4.4 72.32 Favored Glycine 0 CA--C 1.527 0.794 0 CA-C-O 119.647 -0.529 . . . . 0.0 112.072 -179.476 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 78' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -124.7 131.94 53.42 Favored 'General case' 0 N--CA 1.449 -0.508 0 CA-C-N 117.775 0.788 . . . . 0.0 110.335 -179.726 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 79' ' ' VAL . . . . . . . . . . . . . 48.5 t -63.93 140.7 19.25 Favored 'Isoleucine or valine' 0 CA--C 1.522 -0.101 0 C-N-CA 124.372 1.069 . . . . 0.0 110.323 -178.733 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 30.6 mt -94.73 156.48 16.37 Favored 'General case' 0 C--O 1.23 0.071 0 CA-C-O 120.853 0.358 . . . . 0.0 111.347 177.433 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 81' ' ' ASP . . . . . . . . . . . . . 36.1 t70 -122.52 98.25 5.83 Favored 'General case' 0 N--CA 1.452 -0.374 0 N-CA-C 108.193 -1.04 . . . . 0.0 108.193 176.306 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 82' ' ' ILE . . . . . . . . . . . . . 64.2 mt -115.31 139.88 39.51 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.23 0 C-N-CA 122.947 0.499 . . . . 0.0 110.566 -170.015 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 83' ' ' ASN . . . . . . . . . . . . . 1.9 p-10 -157.8 165.45 35.29 Favored 'General case' 0 N--CA 1.452 -0.338 0 CA-C-O 121.085 0.469 . . . . 0.0 111.597 -179.624 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 84' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -61.69 130.74 47.28 Favored 'General case' 0 N--CA 1.452 -0.345 0 C-N-CA 124.049 0.94 . . . . 0.0 108.754 175.398 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.532 0.266 0 N-CA-C 114.142 1.164 . . . . 0.0 114.142 -174.544 . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A ' 98' ' ' LYS . . . . . . . . . . . . . 60.2 mttm . . . . . 0 C--O 1.231 0.082 0 CA-C-O 120.622 0.249 . . . . 0.0 111.261 . . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A ' 99' ' ' ARG . . . . . . . . . . . . . 60.4 mtt-85 -133.35 173.74 11.14 Favored 'General case' 0 N--CA 1.454 -0.265 0 C-N-CA 124.48 1.112 . . . . 0.0 111.095 -177.891 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 68.8 m -69.51 -13.86 62.56 Favored 'General case' 0 N--CA 1.452 -0.351 0 C-N-CA 123.125 0.57 . . . . 0.0 111.316 177.997 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 101' ' ' ALA . . . . . . . . . . . . . . . 51.88 18.4 0.78 Allowed 'General case' 0 CA--C 1.532 0.263 0 C-N-CA 124.138 0.975 . . . . 0.0 112.291 -175.777 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -152.57 4.27 0.36 Allowed 'General case' 0 N--CA 1.453 -0.282 0 C-N-CA 123.205 0.602 . . . . 0.0 112.132 -176.55 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 2.5 pm0 -74.45 -4.27 35.64 Favored 'General case' 0 CA--C 1.531 0.249 0 O-C-N 121.809 -0.557 . . . . 0.0 112.241 -176.783 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 104' ' ' MET . . . . . . . . . . . . . 75.2 mtm -111.15 12.35 21.88 Favored 'General case' 0 CA--C 1.531 0.223 0 C-N-CA 123.683 0.793 . . . . 0.0 111.225 179.179 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 105' ' ' TYR . . . . . . . . . . . . . 70.6 m-85 -127.11 2.03 6.48 Favored 'General case' 0 CA--C 1.532 0.257 0 C-N-CA 122.786 0.434 . . . . 0.0 111.546 -178.106 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 106' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--N 1.339 0.706 0 N-CA-C 111.2 -0.76 . . . . 0.0 111.2 179.411 . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A ' 4' ' ' ASN . . . . . . . . . . . . . 2.7 p-10 . . . . . 0 CA--C 1.532 0.26 0 N-CA-C 111.912 0.338 . . . . 0.0 111.912 . . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 92.5 t -101.91 133.84 44.21 Favored 'Isoleucine or valine' 0 N--CA 1.457 -0.085 0 C-N-CA 123.203 0.601 . . . . 0.0 110.903 -176.238 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 47.1 p -147.75 11.49 0.97 Allowed 'General case' 0 CA--C 1.531 0.219 0 C-N-CA 123.401 0.68 . . . . 0.0 112.11 179.956 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 7' ' ' ASN . . . . . . . . . . . . . 64.3 t-20 . . . . . 0 CA--C 1.532 0.256 0 CA-C-N 119.436 1.017 . . . . 0.0 111.811 -178.742 . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 16.3 m . . . . . 0 N--CA 1.456 -0.144 0 CA-C-O 120.504 0.192 . . . . 0.0 110.682 . . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 36.4 ttm180 -113.18 155.39 25.1 Favored 'General case' 0 N--CA 1.452 -0.339 0 C-N-CA 124.714 1.206 . . . . 0.0 109.898 -176.961 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 74.6 t -130.28 131.9 65.3 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.447 0 CA-C-O 120.785 0.326 . . . . 0.0 110.262 178.874 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 26.0 t80 -90.76 133.62 35.04 Favored 'General case' 0 N--CA 1.451 -0.413 0 C-N-CA 123.625 0.77 . . . . 0.0 108.993 174.265 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 59.5 mt -121.21 84.05 0.83 Allowed 'Isoleucine or valine' 0 N--CA 1.456 -0.152 0 N-CA-C 107.765 -1.198 . . . . 0.0 107.765 179.445 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -84.0 173.3 50.42 Favored Glycine 0 CA--C 1.525 0.704 0 N-CA-C 110.75 -0.94 . . . . 0.0 110.75 178.398 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 61.1 t30 49.88 46.53 24.11 Favored 'General case' 0 N--CA 1.453 -0.275 0 C-N-CA 123.001 0.521 . . . . 0.0 110.8 -179.02 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 56.3 tp -98.46 143.9 28.39 Favored 'General case' 0 N--CA 1.454 -0.238 0 N-CA-C 109.418 -0.586 . . . . 0.0 109.418 179.25 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 24' ' ' ASN . . . . . 0.401 ' C ' ' H ' ' A' ' 26' ' ' LEU . 64.1 t30 -68.84 -36.12 77.78 Favored 'General case' 0 CA--C 1.529 0.168 0 C-N-CA 121.158 -0.217 . . . . 0.0 111.158 -177.148 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 56.2 p 52.68 3.8 0.03 OUTLIER 'General case' 0 N--CA 1.466 0.328 0 C-N-CA 126.592 1.957 . . . . 0.0 115.036 178.645 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 26' ' ' LEU . . . . . 0.401 ' H ' ' C ' ' A' ' 24' ' ' ASN . 7.0 mp -97.55 -16.28 20.14 Favored 'General case' 0 CA--C 1.531 0.225 0 C-N-CA 123.364 0.666 . . . . 0.0 111.043 176.961 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 58.8 t -125.68 -20.56 2.61 Favored 'Isoleucine or valine' 0 C--O 1.227 -0.089 0 C-N-CA 122.502 0.321 . . . . 0.0 110.564 179.676 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 52.0 t -106.8 141.73 21.33 Favored 'Isoleucine or valine' 0 C--N 1.338 0.073 0 N-CA-C 110.144 -0.317 . . . . 0.0 110.144 177.292 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 2.3 mptp? -134.23 173.44 11.6 Favored 'General case' 0 N--CA 1.456 -0.135 0 C-N-CA 123.673 0.789 . . . . 0.0 109.973 -179.783 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 9.4 ptmt -67.42 -4.1 10.24 Favored 'General case' 0 CA--C 1.528 0.124 0 C-N-CA 123.56 0.744 . . . . 0.0 111.926 179.314 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 39.6 m -97.84 -0.2 45.57 Favored 'General case' 0 CA--C 1.532 0.278 0 C-N-CA 123.648 0.779 . . . . 0.0 110.709 173.819 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 26.8 m-20 -117.21 -33.12 4.77 Favored 'General case' 0 N--CA 1.453 -0.288 0 C-N-CA 124.016 0.926 . . . . 0.0 110.691 -179.248 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 79.2 t -63.05 -31.57 53.09 Favored 'Isoleucine or valine' 0 C--O 1.231 0.083 0 O-C-N 121.799 -0.563 . . . . 0.0 109.569 178.193 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 19.4 pt-20 -78.84 7.04 7.74 Favored 'General case' 0 CA--C 1.53 0.183 0 N-CA-C 111.99 0.367 . . . . 0.0 111.99 178.198 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -126.54 -7.69 6.29 Favored 'General case' 0 N--CA 1.453 -0.275 0 C-N-CA 123.096 0.558 . . . . 0.0 111.382 177.235 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 74.7 mt -109.89 -28.81 2.58 Favored 'Isoleucine or valine' 0 CA--C 1.527 0.083 0 C-N-CA 122.824 0.449 . . . . 0.0 110.811 178.912 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 37' ' ' PHE . . . . . . . . . . . . . 61.3 m-85 -102.17 -9.2 20.69 Favored 'General case' 0 N--CA 1.455 -0.206 0 C-N-CA 122.46 0.304 . . . . 0.0 110.83 179.784 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 66.2 p -72.22 -14.61 61.83 Favored 'General case' 0 C--O 1.231 0.129 0 C-N-CA 122.584 0.354 . . . . 0.0 111.643 -178.801 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 12.8 ptmm? -82.88 -10.0 59.04 Favored 'General case' 0 N--CA 1.455 -0.216 0 C-N-CA 123.202 0.601 . . . . 0.0 112.231 178.91 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 40' ' ' TYR . . . . . . . . . . . . . 86.7 m-85 -106.58 -14.88 14.92 Favored 'General case' 0 C--N 1.339 0.14 0 C-N-CA 122.55 0.34 . . . . 0.0 111.332 177.894 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -176.63 162.09 30.44 Favored Glycine 0 CA--C 1.524 0.622 0 N-CA-C 111.807 -0.517 . . . . 0.0 111.807 174.545 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 79.1 tttt -73.5 113.19 10.32 Favored 'General case' 0 N--CA 1.453 -0.324 0 N-CA-C 108.892 -0.781 . . . . 0.0 108.892 177.742 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 43' ' ' ILE . . . . . . . . . . . . . 73.9 mt -83.05 131.1 34.54 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.395 0 N-CA-C 109.622 -0.51 . . . . 0.0 109.622 -177.983 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 33.4 m -109.2 -8.98 11.32 Favored 'Isoleucine or valine' 0 CA--C 1.527 0.082 0 C-N-CA 123.132 0.573 . . . . 0.0 110.604 178.419 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . -169.01 147.1 10.82 Favored Glycine 0 CA--C 1.525 0.665 0 N-CA-C 109.798 -1.321 . . . . 0.0 109.798 177.635 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 46' ' ' CYS . . . . . . . . . . . . . 27.2 p -152.37 152.96 32.7 Favored 'General case' 0 N--CA 1.451 -0.384 0 N-CA-C 109.817 -0.438 . . . . 0.0 109.817 179.171 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 21.9 t -157.01 151.74 25.71 Favored 'General case' 0 N--CA 1.451 -0.418 0 N-CA-C 110.114 -0.328 . . . . 0.0 110.114 177.009 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 48' ' ' VAL . . . . . . . . . . . . . 98.1 t -127.82 146.51 33.34 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.303 0 N-CA-C 109.127 -0.694 . . . . 0.0 109.127 176.947 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 49' ' ' HIS . . . . . . . . . . . . . 48.6 m-70 -133.47 -163.26 1.33 Allowed 'General case' 0 N--CA 1.451 -0.406 0 N-CA-C 107.7 -1.222 . . . . 0.0 107.7 -176.704 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 57.7 mtpt -91.56 121.12 32.95 Favored 'General case' 0 N--CA 1.454 -0.257 0 CA-C-N 118.312 0.506 . . . . 0.0 109.762 175.1 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 78.87 -9.36 38.19 Favored Glycine 0 CA--C 1.531 1.046 0 CA-C-O 119.182 -0.788 . . . . 0.0 113.558 178.867 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 50.1 p90 -151.58 170.25 20.13 Favored 'General case' 0 C--O 1.231 0.096 0 CA-C-N 119.01 1.405 . . . . 0.0 111.866 178.341 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -149.69 172.0 15.79 Favored 'General case' 0 N--CA 1.452 -0.356 0 C-N-CA 124.304 1.042 . . . . 0.0 110.188 176.72 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 54' ' ' PHE . . . . . . . . . . . . . 17.2 m-85 -139.99 149.17 42.91 Favored 'General case' 0 N--CA 1.454 -0.241 0 C-N-CA 123.516 0.726 . . . . 0.0 110.901 -179.829 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 92.2 t -136.88 146.33 28.57 Favored 'Isoleucine or valine' 0 CA--C 1.518 -0.261 0 C-N-CA 123.853 0.861 . . . . 0.0 108.926 177.532 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 56' ' ' GLN . . . . . . . . . . . . . 67.9 tp60 -126.45 133.27 51.26 Favored 'General case' 0 N--CA 1.45 -0.445 0 N-CA-C 109.161 -0.681 . . . . 0.0 109.161 -179.82 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 57' ' ' TYR . . . . . 0.429 ' HH ' ' CB ' ' A' ' 66' ' ' ALA . 51.6 m-85 -115.51 175.42 5.53 Favored 'General case' 0 N--CA 1.454 -0.27 0 C-N-CA 123.609 0.764 . . . . 0.0 110.853 -179.054 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 58' ' ' VAL . . . . . . . . . . . . . 77.0 t -71.07 -30.04 39.37 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.276 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.297 179.399 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 59' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -157.55 168.48 27.17 Favored 'General case' 0 N--CA 1.454 -0.236 0 CA-C-O 120.798 0.332 . . . . 0.0 111.879 177.202 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 65.0 tt0 -57.12 -31.74 65.61 Favored 'General case' 0 N--CA 1.455 -0.188 0 C-N-CA 123.578 0.751 . . . . 0.0 112.559 -178.802 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 25.5 tpt180 -58.55 -40.05 81.93 Favored 'General case' 0 N--CA 1.462 0.17 0 CA-C-N 118.965 0.802 . . . . 0.0 110.042 -179.506 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 62' ' ' ASN . . . . . . . . . . . . . 18.8 m120 -71.16 -25.04 62.38 Favored 'General case' 0 N--CA 1.45 -0.442 0 C-N-CA 120.704 -0.398 . . . . 0.0 110.73 -179.349 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -76.18 -36.69 58.57 Favored 'General case' 0 N--CA 1.454 -0.262 0 O-C-N 122.291 -0.256 . . . . 0.0 110.377 177.785 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 64' ' ' ARG . . . . . . . . . . . . . 41.4 mmt180 -68.01 -26.42 65.89 Favored 'General case' 0 N--CA 1.462 0.137 0 N-CA-C 110.33 -0.248 . . . . 0.0 110.33 178.132 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -80.36 -33.21 37.44 Favored 'General case' 0 N--CA 1.452 -0.341 0 C-N-CA 121.921 0.088 . . . . 0.0 110.796 -178.468 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 66' ' ' ALA . . . . . 0.429 ' CB ' ' HH ' ' A' ' 57' ' ' TYR . . . -80.64 -35.78 33.47 Favored 'General case' 0 N--CA 1.453 -0.317 0 O-C-N 122.277 -0.265 . . . . 0.0 111.225 178.415 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 67' ' ' VAL . . . . . . . . . . . . . 44.0 t -63.99 -33.66 63.61 Favored 'Isoleucine or valine' 0 C--O 1.226 -0.134 0 N-CA-C 109.879 -0.415 . . . . 0.0 109.879 175.646 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -91.53 -9.89 42.69 Favored 'General case' 0 N--CA 1.452 -0.362 0 O-C-N 121.973 -0.454 . . . . 0.0 112.117 178.09 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . -102.53 -14.35 27.9 Favored Glycine 0 CA--C 1.531 1.039 0 CA-C-O 119.05 -0.861 . . . . 0.0 113.749 -177.158 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 24.7 mm-40 -133.26 -19.6 2.18 Favored 'General case' 0 N--CA 1.462 0.131 0 CA-C-N 118.803 1.302 . . . . 0.0 112.816 -174.041 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 19.4 t0 -62.34 117.05 5.6 Favored 'General case' 0 N--CA 1.455 -0.194 0 O-C-N 121.146 -0.971 . . . . 0.0 110.042 179.055 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . 87.79 10.22 70.13 Favored Glycine 0 C--N 1.339 0.696 0 N-CA-C 111.103 -0.799 . . . . 0.0 111.103 179.553 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 73' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -76.32 168.67 19.64 Favored 'General case' 0 N--CA 1.453 -0.319 0 N-CA-C 106.543 -1.651 . . . . 0.0 106.543 171.681 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 74' ' ' MET . . . . . . . . . . . . . 32.5 ttm -113.65 122.35 46.92 Favored 'General case' 0 N--CA 1.451 -0.421 0 N-CA-C 109.178 -0.675 . . . . 0.0 109.178 -176.73 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 75' ' ' ILE . . . . . . . . . . . . . 0.3 OUTLIER -130.18 136.26 59.07 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.331 0 CA-C-N 115.838 -0.619 . . . . 0.0 109.538 179.605 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . 54.49 18.05 1.83 Allowed 'General case' 0 CA--C 1.533 0.314 0 C-N-CA 123.186 0.595 . . . . 0.0 112.117 -174.271 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 88.71 4.33 76.1 Favored Glycine 0 CA--C 1.528 0.846 0 CA-C-O 119.68 -0.511 . . . . 0.0 112.435 -178.852 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 78' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -125.08 132.69 53.12 Favored 'General case' 0 N--CA 1.45 -0.457 0 CA-C-N 117.783 0.792 . . . . 0.0 110.313 -179.354 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 79' ' ' VAL . . . . . . . . . . . . . 49.1 t -64.23 141.29 18.38 Favored 'Isoleucine or valine' 0 N--CA 1.46 0.073 0 C-N-CA 124.248 1.019 . . . . 0.0 110.585 -179.137 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 30.6 mt -95.15 158.13 15.59 Favored 'General case' 0 CA--C 1.523 -0.058 0 CA-C-O 120.756 0.313 . . . . 0.0 111.399 177.02 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 81' ' ' ASP . . . . . . . . . . . . . 25.5 t0 -123.12 100.94 7.12 Favored 'General case' 0 N--CA 1.453 -0.312 0 N-CA-C 108.041 -1.096 . . . . 0.0 108.041 175.219 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 82' ' ' ILE . . . . . . . . . . . . . 64.8 mt -117.11 138.97 46.04 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.226 0 C-N-CA 123.099 0.56 . . . . 0.0 110.713 -170.435 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 83' ' ' ASN . . . . . . . . . . . . . 2.0 p-10 -159.3 167.18 29.56 Favored 'General case' 0 N--CA 1.456 -0.159 0 C-N-CA 123.218 0.607 . . . . 0.0 109.711 177.821 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 84' ' ' LEU . . . . . . . . . . . . . 3.4 tp -59.78 140.1 56.8 Favored 'General case' 0 N--CA 1.452 -0.369 0 N-CA-C 109.587 -0.523 . . . . 0.0 109.587 176.968 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.531 0.227 0 N-CA-C 112.719 0.637 . . . . 0.0 112.719 -178.152 . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A ' 98' ' ' LYS . . . . . . . . . . . . . 90.0 mttt . . . . . 0 CA--C 1.529 0.139 0 CA-C-O 120.771 0.319 . . . . 0.0 110.441 . . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A ' 99' ' ' ARG . . . . . 0.467 ' HG3' ' H ' ' A' ' 100' ' ' SER . 19.1 tpt180 -127.39 175.19 8.39 Favored 'General case' 0 CA--C 1.529 0.162 0 C-N-CA 124.262 1.025 . . . . 0.0 109.123 -178.749 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 100' ' ' SER . . . . . 0.467 ' H ' ' HG3' ' A' ' 99' ' ' ARG . 60.6 m -63.96 -12.97 42.43 Favored 'General case' 0 N--CA 1.456 -0.145 0 C-N-CA 123.336 0.655 . . . . 0.0 112.676 -178.576 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 101' ' ' ALA . . . . . . . . . . . . . . . 53.38 17.09 0.99 Allowed 'General case' 0 CA--C 1.534 0.355 0 C-N-CA 124.022 0.929 . . . . 0.0 112.281 -176.04 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -150.3 6.29 0.57 Allowed 'General case' 0 CA--C 1.532 0.273 0 C-N-CA 123.2 0.6 . . . . 0.0 111.628 -178.256 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 103' ' ' GLU . . . . . 0.552 ' CD ' ' H ' ' A' ' 103' ' ' GLU . 3.2 pm0 -66.49 -6.78 16.01 Favored 'General case' 0 N--CA 1.454 -0.265 0 C-N-CA 124.28 1.032 . . . . 0.0 113.293 -176.575 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 104' ' ' MET . . . . . . . . . . . . . 75.8 mtm -108.08 8.3 28.12 Favored 'General case' 0 N--CA 1.456 -0.149 0 C-N-CA 123.531 0.732 . . . . 0.0 111.182 177.7 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 105' ' ' TYR . . . . . . . . . . . . . 33.4 m-85 -132.88 0.94 3.56 Favored 'General case' 0 CA--C 1.533 0.324 0 C-N-CA 122.686 0.394 . . . . 0.0 111.85 -178.12 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 106' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.524 0.629 0 N-CA-C 111.097 -0.801 . . . . 0.0 111.097 -179.872 . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A ' 4' ' ' ASN . . . . . . . . . . . . . 2.7 p-10 . . . . . 0 CA--C 1.528 0.103 0 N-CA-C 112.053 0.39 . . . . 0.0 112.053 . . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 94.6 t -100.03 134.49 39.38 Favored 'Isoleucine or valine' 0 N--CA 1.458 -0.059 0 C-N-CA 122.962 0.505 . . . . 0.0 110.528 -176.343 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 60.1 p -147.38 9.41 0.94 Allowed 'General case' 0 C--O 1.226 -0.133 0 C-N-CA 123.237 0.615 . . . . 0.0 112.241 -179.88 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 7' ' ' ASN . . . . . . . . . . . . . 63.3 t-20 . . . . . 0 N--CA 1.455 -0.219 0 CA-C-N 119.303 0.956 . . . . 0.0 111.151 -178.642 . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 56.8 p . . . . . 0 CA--C 1.529 0.152 0 N-CA-C 111.537 0.199 . . . . 0.0 111.537 . . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 28.7 ttp-105 -107.62 151.94 24.96 Favored 'General case' 0 N--CA 1.457 -0.118 0 C-N-CA 123.758 0.823 . . . . 0.0 110.29 178.587 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 71.7 t -125.68 131.45 71.99 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.268 0 C-N-CA 122.947 0.499 . . . . 0.0 110.349 178.893 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 31.8 t80 -89.09 133.72 34.27 Favored 'General case' 0 N--CA 1.451 -0.381 0 CA-C-N 115.636 -0.711 . . . . 0.0 109.212 174.279 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 65.9 mt -120.72 85.41 0.92 Allowed 'Isoleucine or valine' 0 CA--C 1.521 -0.149 0 N-CA-C 108.112 -1.07 . . . . 0.0 108.112 178.572 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -84.34 173.45 49.93 Favored Glycine 0 CA--C 1.526 0.76 0 N-CA-C 110.668 -0.973 . . . . 0.0 110.668 178.269 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 58.7 t30 49.73 45.87 24.29 Favored 'General case' 0 CA--C 1.531 0.22 0 C-N-CA 123.106 0.562 . . . . 0.0 111.163 -178.855 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 49.2 tp -96.13 142.99 27.65 Favored 'General case' 0 CA--C 1.531 0.243 0 N-CA-C 109.419 -0.585 . . . . 0.0 109.419 179.299 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 24' ' ' ASN . . . . . 0.408 ' C ' ' H ' ' A' ' 26' ' ' LEU . 65.0 t30 -67.88 -39.74 83.64 Favored 'General case' 0 CA--C 1.529 0.141 0 O-C-N 122.245 -0.285 . . . . 0.0 111.079 -177.973 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 42.4 p 55.57 -2.53 0.03 OUTLIER 'General case' 0 N--CA 1.465 0.313 0 C-N-CA 127.242 2.217 . . . . 0.0 115.362 178.845 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 26' ' ' LEU . . . . . 0.408 ' H ' ' C ' ' A' ' 24' ' ' ASN . 64.5 mt -83.87 -23.61 31.21 Favored 'General case' 0 N--CA 1.453 -0.308 0 C-N-CA 123.115 0.566 . . . . 0.0 111.83 174.638 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 56.1 t -122.53 -23.67 2.68 Favored 'Isoleucine or valine' 0 N--CA 1.461 0.095 0 C-N-CA 122.444 0.298 . . . . 0.0 111.45 -178.341 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 59.5 t -103.58 136.25 37.36 Favored 'Isoleucine or valine' 0 CA--C 1.522 -0.13 0 N-CA-C 109.835 -0.432 . . . . 0.0 109.835 178.308 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 3.7 mppt? -129.42 173.7 10.31 Favored 'General case' 0 CA--C 1.523 -0.071 0 C-N-CA 123.305 0.642 . . . . 0.0 110.073 -177.863 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 9.1 ptmt -66.7 -3.34 6.38 Favored 'General case' 0 N--CA 1.464 0.246 0 C-N-CA 123.935 0.894 . . . . 0.0 112.117 -179.8 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 35.3 m -101.73 0.62 36.27 Favored 'General case' 0 N--CA 1.456 -0.174 0 C-N-CA 123.767 0.827 . . . . 0.0 110.837 174.415 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 37.1 m-20 -116.43 -34.37 4.62 Favored 'General case' 0 N--CA 1.453 -0.3 0 C-N-CA 123.941 0.896 . . . . 0.0 110.835 -179.624 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 99.0 t -65.08 -31.38 53.69 Favored 'Isoleucine or valine' 0 N--CA 1.457 -0.12 0 N-CA-C 109.126 -0.694 . . . . 0.0 109.126 179.68 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 25.1 pt-20 -78.47 7.16 7.05 Favored 'General case' 0 CA--C 1.532 0.268 0 C-N-CA 122.476 0.31 . . . . 0.0 111.769 177.808 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -126.01 -8.02 6.59 Favored 'General case' 0 N--CA 1.455 -0.224 0 C-N-CA 123.213 0.605 . . . . 0.0 110.943 177.355 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 70.7 mt -108.92 -28.4 2.73 Favored 'Isoleucine or valine' 0 C--N 1.338 0.1 0 C-N-CA 122.988 0.515 . . . . 0.0 110.628 178.266 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 37' ' ' PHE . . . . . . . . . . . . . 56.5 m-85 -101.15 -9.03 21.7 Favored 'General case' 0 N--CA 1.454 -0.253 0 C-N-CA 122.756 0.423 . . . . 0.0 111.097 -179.964 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 66.9 p -71.95 -14.71 61.99 Favored 'General case' 0 C--N 1.338 0.079 0 C-N-CA 122.721 0.408 . . . . 0.0 111.675 -178.785 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 18.2 ptmt -82.91 -10.85 58.62 Favored 'General case' 0 CA--C 1.528 0.12 0 C-N-CA 123.327 0.651 . . . . 0.0 112.38 178.894 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 40' ' ' TYR . . . . . . . . . . . . . 79.6 m-85 -105.53 -14.6 15.24 Favored 'General case' 0 C--N 1.34 0.174 0 C-N-CA 122.467 0.307 . . . . 0.0 111.412 177.628 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -176.97 160.62 27.86 Favored Glycine 0 CA--C 1.522 0.499 0 N-CA-C 111.759 -0.537 . . . . 0.0 111.759 174.517 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 78.0 tttt -71.56 113.41 8.57 Favored 'General case' 0 N--CA 1.452 -0.336 0 N-CA-C 108.863 -0.791 . . . . 0.0 108.863 177.477 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 43' ' ' ILE . . . . . . . . . . . . . 77.6 mt -82.77 129.93 36.59 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.279 0 N-CA-C 109.635 -0.506 . . . . 0.0 109.635 -178.463 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 32.9 m -108.08 -6.42 10.73 Favored 'Isoleucine or valine' 0 CA--C 1.527 0.069 0 C-N-CA 123.294 0.637 . . . . 0.0 110.69 178.961 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . -171.32 146.13 9.33 Favored Glycine 0 CA--C 1.523 0.559 0 N-CA-C 110.051 -1.219 . . . . 0.0 110.051 177.202 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 46' ' ' CYS . . . . . . . . . . . . . 42.1 t -149.91 145.03 26.28 Favored 'General case' 0 N--CA 1.45 -0.435 0 CA-C-N 117.088 0.444 . . . . 0.0 110.125 -179.599 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 23.0 t -154.11 149.91 27.6 Favored 'General case' 0 N--CA 1.452 -0.33 0 N-CA-C 110.012 -0.366 . . . . 0.0 110.012 177.344 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 48' ' ' VAL . . . . . . . . . . . . . 92.7 t -125.74 149.8 30.72 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.368 0 N-CA-C 108.967 -0.753 . . . . 0.0 108.967 178.248 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 49' ' ' HIS . . . . . . . . . . . . . 51.5 m-70 -137.47 -170.25 2.7 Favored 'General case' 0 N--CA 1.449 -0.524 0 N-CA-C 107.912 -1.144 . . . . 0.0 107.912 -177.32 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 61.6 tttm -86.12 116.99 24.66 Favored 'General case' 0 N--CA 1.452 -0.348 0 O-C-N 121.763 -0.585 . . . . 0.0 110.281 179.623 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 80.73 -8.4 55.72 Favored Glycine 0 CA--C 1.533 1.179 0 CA-C-O 119.3 -0.722 . . . . 0.0 113.718 179.219 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 48.1 p90 -150.93 168.06 25.68 Favored 'General case' 0 CA--C 1.53 0.204 0 CA-C-N 118.73 1.265 . . . . 0.0 111.385 178.465 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -147.73 171.86 14.99 Favored 'General case' 0 N--CA 1.454 -0.263 0 C-N-CA 123.692 0.797 . . . . 0.0 110.486 176.715 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 54' ' ' PHE . . . . . . . . . . . . . 12.7 m-85 -139.72 143.54 37.07 Favored 'General case' 0 N--CA 1.454 -0.26 0 C-N-CA 123.702 0.801 . . . . 0.0 110.824 -179.849 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 92.3 t -135.65 136.38 50.49 Favored 'Isoleucine or valine' 0 CA--C 1.52 -0.188 0 C-N-CA 123.696 0.798 . . . . 0.0 109.296 178.709 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 56' ' ' GLN . . . . . . . . . . . . . 64.9 tp60 -115.75 134.19 55.27 Favored 'General case' 0 N--CA 1.449 -0.507 0 C-N-CA 123.167 0.587 . . . . 0.0 109.433 -177.551 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 57' ' ' TYR . . . . . 0.44 ' HH ' ' CB ' ' A' ' 66' ' ' ALA . 51.8 m-85 -115.81 177.3 4.72 Favored 'General case' 0 C--O 1.233 0.217 0 C-N-CA 123.181 0.592 . . . . 0.0 110.505 -179.663 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 58' ' ' VAL . . . . . . . . . . . . . 84.7 t -72.03 -30.29 36.02 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.226 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.056 178.462 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 59' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -158.21 168.71 26.3 Favored 'General case' 0 CA--C 1.53 0.192 0 CA-C-O 120.824 0.345 . . . . 0.0 111.856 177.808 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 73.3 tt0 -58.07 -30.71 66.42 Favored 'General case' 0 CA--C 1.53 0.177 0 C-N-CA 123.546 0.738 . . . . 0.0 112.536 -178.836 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 25.7 tpt180 -59.03 -39.14 81.03 Favored 'General case' 0 N--CA 1.457 -0.102 0 CA-C-N 119.228 0.922 . . . . 0.0 110.104 179.869 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 62' ' ' ASN . . . . . . . . . . . . . 18.9 m120 -72.52 -24.65 61.18 Favored 'General case' 0 N--CA 1.45 -0.469 0 C-N-CA 120.854 -0.338 . . . . 0.0 110.762 179.693 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -76.63 -36.89 57.15 Favored 'General case' 0 N--CA 1.451 -0.407 0 N-CA-C 110.308 -0.256 . . . . 0.0 110.308 178.114 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 64' ' ' ARG . . . . . . . . . . . . . 33.2 mmt180 -70.81 -24.1 62.49 Favored 'General case' 0 N--CA 1.456 -0.168 0 N-CA-C 110.316 -0.253 . . . . 0.0 110.316 178.669 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -80.43 -32.82 37.28 Favored 'General case' 0 N--CA 1.453 -0.288 0 N-CA-C 110.608 -0.145 . . . . 0.0 110.608 179.559 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 66' ' ' ALA . . . . . 0.44 ' CB ' ' HH ' ' A' ' 57' ' ' TYR . . . -80.78 -35.0 33.72 Favored 'General case' 0 N--CA 1.45 -0.43 0 O-C-N 122.248 -0.283 . . . . 0.0 111.478 178.39 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 67' ' ' VAL . . . . . . . . . . . . . 45.9 t -64.97 -32.21 57.26 Favored 'Isoleucine or valine' 0 N--CA 1.457 -0.083 0 N-CA-C 109.851 -0.425 . . . . 0.0 109.851 174.906 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -92.73 -9.32 41.09 Favored 'General case' 0 CA--C 1.53 0.18 0 N-CA-C 112.128 0.418 . . . . 0.0 112.128 178.129 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . -103.91 -13.1 28.26 Favored Glycine 0 CA--C 1.53 1.02 0 CA-C-O 119.299 -0.723 . . . . 0.0 114.033 -177.251 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 23.6 mm-40 -134.37 -19.51 1.91 Allowed 'General case' 0 CA--C 1.528 0.124 0 CA-C-N 118.623 1.212 . . . . 0.0 112.633 -174.252 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 23.7 t0 -62.59 115.41 4.25 Favored 'General case' 0 N--CA 1.454 -0.24 0 O-C-N 121.215 -0.928 . . . . 0.0 110.119 178.683 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . 89.48 10.25 65.79 Favored Glycine 0 C--N 1.335 0.513 0 N-CA-C 111.057 -0.817 . . . . 0.0 111.057 179.99 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 73' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -77.1 169.04 19.05 Favored 'General case' 0 N--CA 1.449 -0.488 0 N-CA-C 106.397 -1.705 . . . . 0.0 106.397 171.737 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 74' ' ' MET . . . . . . . . . . . . . 33.9 ttm -114.2 122.43 46.75 Favored 'General case' 0 N--CA 1.449 -0.501 0 N-CA-C 108.936 -0.764 . . . . 0.0 108.936 -176.065 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 75' ' ' ILE . . . . . . . . . . . . . 0.2 OUTLIER -129.36 135.76 60.98 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.417 0 N-CA-C 109.232 -0.655 . . . . 0.0 109.232 179.71 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . 54.42 17.81 1.71 Allowed 'General case' 0 CA--C 1.534 0.346 0 C-N-CA 123.182 0.593 . . . . 0.0 112.179 -174.404 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 88.97 5.07 74.11 Favored Glycine 0 CA--C 1.526 0.778 0 CA-C-O 119.725 -0.486 . . . . 0.0 112.217 -179.348 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 78' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -124.61 131.63 53.46 Favored 'General case' 0 N--CA 1.449 -0.52 0 CA-C-N 117.728 0.764 . . . . 0.0 110.214 -179.787 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 79' ' ' VAL . . . . . . . . . . . . . 54.4 t -63.52 140.45 19.63 Favored 'Isoleucine or valine' 0 C--O 1.227 -0.101 0 C-N-CA 124.093 0.957 . . . . 0.0 110.391 -179.076 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 30.9 mt -94.17 157.77 15.91 Favored 'General case' 0 N--CA 1.457 -0.118 0 CA-C-O 120.696 0.284 . . . . 0.0 111.095 176.952 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 81' ' ' ASP . . . . . . . . . . . . . 28.5 t70 -125.19 100.17 6.42 Favored 'General case' 0 N--CA 1.453 -0.284 0 N-CA-C 107.777 -1.194 . . . . 0.0 107.777 175.681 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 82' ' ' ILE . . . . . . . . . . . . . 64.9 mt -116.08 139.81 41.0 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.337 0 C-N-CA 123.133 0.573 . . . . 0.0 110.361 -169.741 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 83' ' ' ASN . . . . . . . . . . . . . 1.9 p-10 -157.26 164.02 38.13 Favored 'General case' 0 N--CA 1.455 -0.215 0 C-N-CA 122.81 0.444 . . . . 0.0 110.594 178.787 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 84' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -58.7 134.76 57.09 Favored 'General case' 0 N--CA 1.451 -0.399 0 N-CA-C 108.618 -0.882 . . . . 0.0 108.618 176.036 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.535 0.365 0 N-CA-C 113.64 0.978 . . . . 0.0 113.64 -176.681 . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A ' 98' ' ' LYS . . . . . . . . . . . . . 74.9 mmtt . . . . . 0 CA--C 1.528 0.114 0 CA-C-O 120.582 0.23 . . . . 0.0 111.305 . . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A ' 99' ' ' ARG . . . . . . . . . . . . . 18.7 tpt180 -119.78 172.0 8.01 Favored 'General case' 0 N--CA 1.456 -0.149 0 C-N-CA 124.02 0.928 . . . . 0.0 109.724 -179.358 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 70.1 m -62.6 -15.75 53.08 Favored 'General case' 0 N--CA 1.455 -0.207 0 C-N-CA 123.262 0.625 . . . . 0.0 112.194 179.606 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 101' ' ' ALA . . . . . . . . . . . . . . . 51.9 18.08 0.74 Allowed 'General case' 0 CA--C 1.535 0.371 0 C-N-CA 124.029 0.932 . . . . 0.0 112.367 -176.01 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -149.35 12.1 0.81 Allowed 'General case' 0 N--CA 1.453 -0.28 0 C-N-CA 123.585 0.754 . . . . 0.0 111.174 -178.102 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 22.1 pt-20 -70.0 -5.85 29.31 Favored 'General case' 0 CA--C 1.529 0.156 0 N-CA-C 112.397 0.517 . . . . 0.0 112.397 -176.791 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 104' ' ' MET . . . . . . . . . . . . . 25.1 ptp -132.48 8.64 4.27 Favored 'General case' 0 N--CA 1.456 -0.144 0 C-N-CA 123.337 0.655 . . . . 0.0 111.836 -179.313 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 105' ' ' TYR . . . . . . . . . . . . . 17.3 m-85 -116.72 0.79 12.68 Favored 'General case' 0 CA--C 1.528 0.117 0 C-N-CA 123.284 0.633 . . . . 0.0 111.421 179.734 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 106' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.525 0.673 0 N-CA-C 111.389 -0.684 . . . . 0.0 111.389 179.224 . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' A' A ' 4' ' ' ASN . . . . . . . . . . . . . 3.6 p-10 . . . . . 0 CA--C 1.531 0.224 0 N-CA-C 111.513 0.19 . . . . 0.0 111.513 . . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 96.5 t -99.18 136.57 29.74 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.181 0 C-N-CA 122.651 0.38 . . . . 0.0 111.18 -176.384 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 58.8 p -146.4 2.4 0.85 Allowed 'General case' 0 CA--C 1.528 0.104 0 C-N-CA 123.376 0.67 . . . . 0.0 111.477 179.625 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 7' ' ' ASN . . . . . . . . . . . . . 60.0 t-20 . . . . . 0 N--CA 1.455 -0.224 0 O-C-N 121.441 -0.787 . . . . 0.0 111.1 -176.671 . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 88.3 p . . . . . 0 N--CA 1.456 -0.138 0 N-CA-C 110.711 -0.107 . . . . 0.0 110.711 . . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 31.2 ttp-105 -97.97 150.44 21.35 Favored 'General case' 0 N--CA 1.454 -0.236 0 C-N-CA 123.221 0.609 . . . . 0.0 109.954 175.632 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 93.8 t -126.53 129.52 71.74 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.387 0 C-N-CA 123.109 0.564 . . . . 0.0 109.733 179.192 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 20.2 t80 -89.47 133.98 34.31 Favored 'General case' 0 N--CA 1.449 -0.52 0 CA-C-N 115.301 -0.863 . . . . 0.0 109.175 175.601 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 64.8 mt -120.53 83.69 0.8 Allowed 'Isoleucine or valine' 0 CA--C 1.521 -0.158 0 N-CA-C 107.862 -1.162 . . . . 0.0 107.862 179.765 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -84.36 174.89 50.88 Favored Glycine 0 CA--C 1.526 0.728 0 N-CA-C 110.675 -0.97 . . . . 0.0 110.675 178.674 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 58.8 t30 48.46 47.26 20.35 Favored 'General case' 0 CA--C 1.531 0.22 0 C-N-CA 122.943 0.497 . . . . 0.0 110.758 -178.407 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 58.7 tp -99.28 144.55 28.27 Favored 'General case' 0 N--CA 1.455 -0.176 0 N-CA-C 109.396 -0.594 . . . . 0.0 109.396 179.535 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 24' ' ' ASN . . . . . 0.42 ' C ' ' H ' ' A' ' 26' ' ' LEU . 64.7 t30 -69.6 -37.95 77.1 Favored 'General case' 0 CA--C 1.532 0.266 0 O-C-N 122.267 -0.27 . . . . 0.0 111.171 -177.542 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 60.0 p 53.97 -2.58 0.02 OUTLIER 'General case' 0 N--CA 1.464 0.248 0 C-N-CA 127.668 2.387 . . . . 0.0 115.49 179.129 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 26' ' ' LEU . . . . . 0.42 ' H ' ' C ' ' A' ' 24' ' ' ASN . 85.3 mt -87.37 -20.55 26.56 Favored 'General case' 0 N--CA 1.452 -0.363 0 C-N-CA 123.235 0.614 . . . . 0.0 111.627 175.809 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 57.6 t -120.95 -26.07 2.33 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.236 0 C-N-CA 122.533 0.333 . . . . 0.0 111.635 -178.78 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 56.7 t -100.69 146.07 9.98 Favored 'Isoleucine or valine' 0 C--O 1.23 0.077 0 CA-C-N 118.065 0.393 . . . . 0.0 110.369 179.203 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 7.9 mptt -135.04 171.98 13.66 Favored 'General case' 0 CA--C 1.523 -0.07 0 C-N-CA 123.451 0.7 . . . . 0.0 110.142 -178.746 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 5.5 ptmm? -65.16 -8.18 15.87 Favored 'General case' 0 CA--C 1.53 0.197 0 C-N-CA 124.076 0.95 . . . . 0.0 111.85 178.839 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 39.3 m -97.0 -1.24 45.93 Favored 'General case' 0 CA--C 1.528 0.132 0 C-N-CA 123.252 0.621 . . . . 0.0 110.894 175.882 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 21.1 m-20 -114.26 -34.54 5.28 Favored 'General case' 0 N--CA 1.454 -0.245 0 C-N-CA 123.836 0.855 . . . . 0.0 110.271 179.587 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 72.0 t -62.48 -32.88 56.7 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.24 0 N-CA-C 109.391 -0.596 . . . . 0.0 109.391 177.942 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 23.5 pt-20 -79.11 7.78 6.89 Favored 'General case' 0 CA--C 1.529 0.171 0 N-CA-C 112.075 0.398 . . . . 0.0 112.075 178.242 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -127.3 -6.58 5.91 Favored 'General case' 0 CA--C 1.53 0.191 0 C-N-CA 123.237 0.615 . . . . 0.0 111.31 176.973 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 78.1 mt -110.85 -27.97 2.72 Favored 'Isoleucine or valine' 0 CA--C 1.528 0.13 0 C-N-CA 123.272 0.629 . . . . 0.0 110.735 178.638 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 37' ' ' PHE . . . . . . . . . . . . . 65.6 m-85 -103.13 -8.61 20.36 Favored 'General case' 0 N--CA 1.456 -0.158 0 C-N-CA 122.612 0.365 . . . . 0.0 110.779 179.932 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 64.6 p -72.9 -14.7 61.53 Favored 'General case' 0 C--O 1.232 0.134 0 C-N-CA 122.4 0.28 . . . . 0.0 111.721 -179.056 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 13.0 ptmm? -83.11 -9.82 59.01 Favored 'General case' 0 CA--C 1.528 0.106 0 C-N-CA 123.496 0.718 . . . . 0.0 112.296 179.106 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 40' ' ' TYR . . . . . . . . . . . . . 85.3 m-85 -106.79 -14.6 14.95 Favored 'General case' 0 C--O 1.23 0.075 0 C-N-CA 122.454 0.301 . . . . 0.0 111.226 177.684 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -177.72 162.2 29.84 Favored Glycine 0 CA--C 1.523 0.533 0 N-CA-C 111.712 -0.555 . . . . 0.0 111.712 175.027 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 78.8 tttt -73.64 114.14 11.55 Favored 'General case' 0 N--CA 1.452 -0.353 0 N-CA-C 108.979 -0.749 . . . . 0.0 108.979 178.075 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 43' ' ' ILE . . . . . . . . . . . . . 77.6 mt -83.43 130.54 35.62 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.23 0 N-CA-C 109.581 -0.526 . . . . 0.0 109.581 -178.418 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 33.7 m -109.61 -8.47 11.38 Favored 'Isoleucine or valine' 0 CA--C 1.526 0.054 0 C-N-CA 123.24 0.616 . . . . 0.0 110.602 179.072 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . -168.94 147.61 11.4 Favored Glycine 0 CA--C 1.524 0.632 0 N-CA-C 109.776 -1.329 . . . . 0.0 109.776 178.004 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 46' ' ' CYS . . . . . . . . . . . . . 22.1 p -151.24 153.74 35.47 Favored 'General case' 0 N--CA 1.451 -0.411 0 O-C-N 122.51 -0.406 . . . . 0.0 110.26 179.739 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 90.1 p -157.09 148.94 22.56 Favored 'General case' 0 N--CA 1.452 -0.349 0 N-CA-C 109.999 -0.371 . . . . 0.0 109.999 176.176 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 48' ' ' VAL . . . . . . . . . . . . . 86.3 t -125.35 145.48 32.64 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.238 0 N-CA-C 109.019 -0.734 . . . . 0.0 109.019 174.641 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 49' ' ' HIS . . . . . . . . . . . . . 46.9 m-70 -133.5 -163.69 1.39 Allowed 'General case' 0 N--CA 1.451 -0.386 0 N-CA-C 108.347 -0.982 . . . . 0.0 108.347 -176.225 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 96.8 mttt -90.0 115.58 27.4 Favored 'General case' 0 N--CA 1.454 -0.231 0 N-CA-C 109.709 -0.478 . . . . 0.0 109.709 177.099 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 81.31 -8.65 57.68 Favored Glycine 0 CA--C 1.529 0.941 0 CA-C-O 119.467 -0.63 . . . . 0.0 113.854 178.702 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 49.8 p90 -151.32 169.96 20.69 Favored 'General case' 0 C--N 1.339 0.137 0 CA-C-N 118.751 1.276 . . . . 0.0 111.761 178.579 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -148.94 171.64 16.0 Favored 'General case' 0 CA--C 1.533 0.292 0 C-N-CA 123.819 0.848 . . . . 0.0 109.794 176.436 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 54' ' ' PHE . . . . . . . . . . . . . 15.9 m-85 -139.94 148.25 41.7 Favored 'General case' 0 C--O 1.233 0.211 0 C-N-CA 123.428 0.691 . . . . 0.0 110.172 179.423 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 99.3 t -138.04 137.87 44.14 Favored 'Isoleucine or valine' 0 CA--C 1.519 -0.231 0 C-N-CA 123.731 0.812 . . . . 0.0 109.001 178.416 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 56' ' ' GLN . . . . . . . . . . . . . 57.1 tp60 -117.82 130.95 56.59 Favored 'General case' 0 N--CA 1.452 -0.342 0 N-CA-C 109.166 -0.679 . . . . 0.0 109.166 -177.291 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 57' ' ' TYR . . . . . 0.443 ' HH ' ' CB ' ' A' ' 66' ' ' ALA . 52.5 m-85 -112.08 176.25 5.1 Favored 'General case' 0 N--CA 1.453 -0.307 0 C-N-CA 122.843 0.457 . . . . 0.0 110.943 179.701 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 58' ' ' VAL . . . . . . . . . . . . . 80.3 t -71.97 -31.44 40.52 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.309 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.418 179.12 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 59' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -155.67 170.04 22.94 Favored 'General case' 0 N--CA 1.456 -0.165 0 N-CA-C 111.906 0.336 . . . . 0.0 111.906 177.619 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 60.4 tt0 -58.85 -31.61 68.67 Favored 'General case' 0 CA--C 1.531 0.225 0 C-N-CA 123.475 0.71 . . . . 0.0 112.123 -178.041 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 25.5 tpt180 -58.59 -39.73 81.2 Favored 'General case' 0 C--N 1.339 0.123 0 CA-C-N 119.013 0.824 . . . . 0.0 110.146 -179.599 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 62' ' ' ASN . . . . . . . . . . . . . 19.0 m120 -71.59 -24.68 61.95 Favored 'General case' 0 N--CA 1.449 -0.484 0 O-C-N 122.225 -0.297 . . . . 0.0 110.968 -179.542 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -77.06 -36.72 55.69 Favored 'General case' 0 N--CA 1.454 -0.247 0 O-C-N 122.387 -0.196 . . . . 0.0 110.516 177.964 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 64' ' ' ARG . . . . . . . . . . . . . 41.3 mmt180 -68.55 -25.9 65.15 Favored 'General case' 0 N--CA 1.46 0.063 0 N-CA-C 110.222 -0.288 . . . . 0.0 110.222 178.109 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -80.67 -33.6 35.4 Favored 'General case' 0 N--CA 1.454 -0.241 0 CA-C-N 117.438 0.108 . . . . 0.0 110.747 -178.854 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 66' ' ' ALA . . . . . 0.443 ' CB ' ' HH ' ' A' ' 57' ' ' TYR . . . -80.88 -35.45 32.58 Favored 'General case' 0 N--CA 1.451 -0.387 0 O-C-N 122.088 -0.383 . . . . 0.0 111.206 178.666 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 67' ' ' VAL . . . . . . . . . . . . . 48.9 t -64.55 -33.67 64.58 Favored 'Isoleucine or valine' 0 C--N 1.338 0.089 0 N-CA-C 109.907 -0.405 . . . . 0.0 109.907 175.452 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -91.8 -9.11 44.73 Favored 'General case' 0 N--CA 1.455 -0.206 0 N-CA-C 112.082 0.401 . . . . 0.0 112.082 178.37 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . -104.61 -12.04 29.42 Favored Glycine 0 CA--C 1.53 1.015 0 CA-C-O 119.276 -0.736 . . . . 0.0 114.21 -177.475 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 27.6 mm-40 -135.16 -19.53 1.72 Allowed 'General case' 0 CA--C 1.53 0.18 0 CA-C-N 118.623 1.212 . . . . 0.0 112.516 -174.698 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 23.7 t0 -62.17 117.33 5.89 Favored 'General case' 0 C--O 1.234 0.266 0 CA-C-N 118.955 0.798 . . . . 0.0 109.954 178.932 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . 87.98 10.53 69.09 Favored Glycine 0 C--N 1.337 0.595 0 N-CA-C 111.105 -0.798 . . . . 0.0 111.105 179.888 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 73' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -76.59 169.25 18.61 Favored 'General case' 0 N--CA 1.449 -0.494 0 N-CA-C 106.226 -1.768 . . . . 0.0 106.226 171.635 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 74' ' ' MET . . . . . . . . . . . . . 33.2 ttm -114.21 122.46 46.84 Favored 'General case' 0 N--CA 1.452 -0.357 0 N-CA-C 109.248 -0.649 . . . . 0.0 109.248 -176.633 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 75' ' ' ILE . . . . . . . . . . . . . 0.3 OUTLIER -130.12 136.24 59.18 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.383 0 N-CA-C 109.501 -0.555 . . . . 0.0 109.501 179.296 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . 54.26 18.44 1.83 Allowed 'General case' 0 CA--C 1.534 0.337 0 C-N-CA 123.302 0.641 . . . . 0.0 112.056 -173.776 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 88.71 4.3 76.13 Favored Glycine 0 CA--C 1.527 0.81 0 N-CA-C 111.903 -0.479 . . . . 0.0 111.903 -179.312 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 78' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -124.32 131.26 53.51 Favored 'General case' 0 N--CA 1.452 -0.369 0 CA-C-N 117.993 0.896 . . . . 0.0 110.385 -179.131 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 79' ' ' VAL . . . . . . . . . . . . . 48.4 t -63.2 140.22 19.99 Favored 'Isoleucine or valine' 0 C--O 1.228 -0.064 0 C-N-CA 124.38 1.072 . . . . 0.0 110.282 -179.02 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 32.7 mt -94.58 157.46 15.97 Favored 'General case' 0 N--CA 1.455 -0.199 0 CA-C-O 120.623 0.249 . . . . 0.0 111.198 177.041 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 81' ' ' ASP . . . . . . . . . . . . . 29.9 t70 -122.52 102.04 7.84 Favored 'General case' 0 N--CA 1.456 -0.174 0 N-CA-C 107.911 -1.144 . . . . 0.0 107.911 174.11 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 82' ' ' ILE . . . . . . . . . . . . . 63.0 mt -116.63 139.56 42.91 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.235 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.113 -171.078 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 83' ' ' ASN . . . . . . . . . . . . . 1.8 p-10 -159.71 166.51 30.36 Favored 'General case' 0 N--CA 1.453 -0.277 0 C-N-CA 123.208 0.603 . . . . 0.0 110.121 -179.71 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 84' ' ' LEU . . . . . . . . . . . . . 1.6 tp -60.83 143.92 53.75 Favored 'General case' 0 N--CA 1.452 -0.341 0 N-CA-C 109.109 -0.701 . . . . 0.0 109.109 175.626 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.535 0.401 0 N-CA-C 112.886 0.698 . . . . 0.0 112.886 -178.72 . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' A' A ' 98' ' ' LYS . . . . . . . . . . . . . 10.6 ptpt . . . . . 0 N--CA 1.456 -0.167 0 CA-C-O 120.572 0.225 . . . . 0.0 111.45 . . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' A' A ' 99' ' ' ARG . . . . . 0.481 ' HE ' ' CD ' ' A' ' 103' ' ' GLU . 2.4 tpt180 -133.72 163.49 29.34 Favored 'General case' 0 N--CA 1.455 -0.183 0 C-N-CA 123.724 0.809 . . . . 0.0 109.253 -179.892 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 61.7 m -68.79 -11.58 60.53 Favored 'General case' 0 N--CA 1.455 -0.184 0 C-N-CA 122.58 0.352 . . . . 0.0 111.305 177.724 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 101' ' ' ALA . . . . . . . . . . . . . . . 50.96 14.31 0.18 Allowed 'General case' 0 CA--C 1.538 0.483 0 C-N-CA 124.455 1.102 . . . . 0.0 113.055 -175.325 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -150.02 4.12 0.54 Allowed 'General case' 0 N--CA 1.455 -0.197 0 C-N-CA 122.908 0.483 . . . . 0.0 112.128 -178.465 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 103' ' ' GLU . . . . . 0.481 ' CD ' ' HE ' ' A' ' 99' ' ' ARG . 11.2 pt-20 -76.37 -3.53 37.44 Favored 'General case' 0 CA--C 1.53 0.182 0 N-CA-C 112.315 0.487 . . . . 0.0 112.315 -176.332 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 104' ' ' MET . . . . . . . . . . . . . 72.4 mtm -105.09 8.27 34.17 Favored 'General case' 0 CA--C 1.53 0.207 0 C-N-CA 123.717 0.807 . . . . 0.0 111.271 -179.816 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 105' ' ' TYR . . . . . . . . . . . . . 51.9 m-85 -132.35 1.48 3.79 Favored 'General case' 0 N--CA 1.456 -0.13 0 C-N-CA 122.864 0.466 . . . . 0.0 111.794 -177.737 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 106' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.527 0.789 0 N-CA-C 111.389 -0.684 . . . . 0.0 111.389 178.843 . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' A' A ' 4' ' ' ASN . . . . . . . . . . . . . 4.0 p-10 . . . . . 0 CA--C 1.528 0.122 0 N-CA-C 111.261 0.097 . . . . 0.0 111.261 . . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 64.2 t -99.04 135.35 34.47 Favored 'Isoleucine or valine' 0 C--N 1.339 0.129 0 C-N-CA 122.747 0.419 . . . . 0.0 111.331 -176.307 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 76.3 p -149.9 9.06 0.67 Allowed 'General case' 0 CA--C 1.532 0.258 0 C-N-CA 123.83 0.852 . . . . 0.0 112.152 -177.735 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 7' ' ' ASN . . . . . . . . . . . . . 41.0 p30 . . . . . 0 CA--C 1.532 0.275 0 N-CA-C 114.6 1.333 . . . . 0.0 114.6 -172.779 . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 88.9 p . . . . . 0 CA--C 1.531 0.237 0 N-CA-C 110.464 -0.199 . . . . 0.0 110.464 . . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 29.3 ttp-105 -98.88 151.18 21.13 Favored 'General case' 0 CA--C 1.52 -0.175 0 C-N-CA 123.149 0.58 . . . . 0.0 110.132 175.897 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 83.4 t -125.05 128.08 72.78 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.37 0 C-N-CA 123.03 0.532 . . . . 0.0 109.724 178.958 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 13.4 t80 -87.66 130.53 34.76 Favored 'General case' 0 N--CA 1.451 -0.41 0 N-CA-C 108.823 -0.806 . . . . 0.0 108.823 174.591 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 62.4 mt -118.37 84.72 0.83 Allowed 'Isoleucine or valine' 0 CA--C 1.52 -0.21 0 N-CA-C 107.737 -1.208 . . . . 0.0 107.737 179.238 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -85.67 175.05 48.77 Favored Glycine 0 CA--C 1.523 0.539 0 N-CA-C 110.827 -0.909 . . . . 0.0 110.827 178.723 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 54.8 t30 48.98 47.48 21.7 Favored 'General case' 0 N--CA 1.453 -0.301 0 C-N-CA 122.984 0.514 . . . . 0.0 110.359 -178.262 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 56.7 tp -100.28 145.65 27.86 Favored 'General case' 0 N--CA 1.454 -0.253 0 C-N-CA 123.14 0.576 . . . . 0.0 109.777 179.773 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 64.3 t30 -70.59 -36.98 73.84 Favored 'General case' 0 C--N 1.338 0.105 0 CA-C-N 117.886 0.312 . . . . 0.0 111.518 -177.57 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 48.7 p 50.72 9.45 0.05 OUTLIER 'General case' 0 N--CA 1.467 0.417 0 C-N-CA 126.406 1.882 . . . . 0.0 114.858 178.877 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 3.3 mm? -102.83 -14.4 16.6 Favored 'General case' 0 CA--C 1.531 0.23 0 C-N-CA 123.84 0.856 . . . . 0.0 111.161 176.469 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 63.5 t -126.3 -24.81 1.63 Allowed 'Isoleucine or valine' 0 C--N 1.34 0.16 0 C-N-CA 122.679 0.392 . . . . 0.0 110.608 178.75 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 47.4 t -102.33 146.59 10.15 Favored 'Isoleucine or valine' 0 C--O 1.232 0.159 0 N-CA-C 110.194 -0.299 . . . . 0.0 110.194 178.896 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 8.1 mptt -135.89 172.58 12.8 Favored 'General case' 0 C--N 1.34 0.157 0 C-N-CA 123.343 0.657 . . . . 0.0 110.207 -178.819 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 10.3 ptmt -68.09 -4.45 13.62 Favored 'General case' 0 CA--C 1.53 0.206 0 C-N-CA 123.574 0.75 . . . . 0.0 112.039 179.419 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 37.6 m -99.86 0.03 40.61 Favored 'General case' 0 CA--C 1.529 0.144 0 C-N-CA 123.385 0.674 . . . . 0.0 110.539 174.365 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 21.2 m-20 -116.05 -33.4 5.07 Favored 'General case' 0 N--CA 1.452 -0.33 0 C-N-CA 123.729 0.812 . . . . 0.0 110.819 179.8 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 72.9 t -65.49 -30.82 51.34 Favored 'Isoleucine or valine' 0 N--CA 1.457 -0.114 0 N-CA-C 108.981 -0.748 . . . . 0.0 108.981 178.809 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 24.9 pt-20 -79.34 8.78 5.53 Favored 'General case' 0 CA--C 1.53 0.206 0 N-CA-C 111.765 0.283 . . . . 0.0 111.765 178.089 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -127.03 -8.51 5.98 Favored 'General case' 0 N--CA 1.454 -0.269 0 C-N-CA 123.306 0.642 . . . . 0.0 111.017 176.183 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 77.6 mt -107.76 -26.34 3.32 Favored 'Isoleucine or valine' 0 C--N 1.339 0.138 0 C-N-CA 123.41 0.684 . . . . 0.0 110.676 178.398 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 37' ' ' PHE . . . . . . . . . . . . . 63.2 m-85 -105.81 -5.57 19.7 Favored 'General case' 0 N--CA 1.456 -0.15 0 C-N-CA 122.819 0.448 . . . . 0.0 110.94 -179.78 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 77.6 p -76.02 -14.38 60.22 Favored 'General case' 0 N--CA 1.456 -0.144 0 O-C-N 122.229 -0.294 . . . . 0.0 111.271 -179.88 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 13.5 ptmm? -80.43 -11.68 59.66 Favored 'General case' 0 N--CA 1.456 -0.149 0 C-N-CA 123.129 0.571 . . . . 0.0 112.265 179.304 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 40' ' ' TYR . . . . . . . . . . . . . 64.5 m-85 -106.23 -15.74 14.77 Favored 'General case' 0 C--O 1.232 0.136 0 C-N-CA 122.579 0.352 . . . . 0.0 111.594 178.52 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -176.24 162.24 30.97 Favored Glycine 0 C--N 1.335 0.512 0 N-CA-C 111.883 -0.487 . . . . 0.0 111.883 174.981 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 54.7 tttp -72.65 115.44 11.93 Favored 'General case' 0 N--CA 1.452 -0.342 0 N-CA-C 108.89 -0.781 . . . . 0.0 108.89 177.815 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 43' ' ' ILE . . . . . . . . . . . . . 77.1 mt -83.21 129.66 37.08 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.323 0 N-CA-C 109.681 -0.488 . . . . 0.0 109.681 -178.841 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 33.8 m -107.27 -8.38 10.7 Favored 'Isoleucine or valine' 0 C--O 1.227 -0.116 0 C-N-CA 123.178 0.591 . . . . 0.0 110.633 178.759 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . -168.94 146.33 10.2 Favored Glycine 0 CA--C 1.525 0.688 0 N-CA-C 109.965 -1.254 . . . . 0.0 109.965 177.79 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 46' ' ' CYS . . . . . . . . . . . . . 45.4 t -150.65 144.54 25.28 Favored 'General case' 0 N--CA 1.451 -0.378 0 N-CA-C 109.747 -0.464 . . . . 0.0 109.747 -179.228 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 23.1 t -153.26 148.26 26.63 Favored 'General case' 0 N--CA 1.449 -0.507 0 CA-C-O 120.875 0.369 . . . . 0.0 110.13 177.032 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 48' ' ' VAL . . . . . . . . . . . . . 92.3 t -125.74 146.68 31.08 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.222 0 N-CA-C 109.267 -0.642 . . . . 0.0 109.267 177.572 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 49' ' ' HIS . . . . . . . . . . . . . 54.4 m-70 -131.79 -164.2 1.42 Allowed 'General case' 0 N--CA 1.449 -0.489 0 C-N-CA 124.174 0.99 . . . . 0.0 108.348 -176.666 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 98.3 mttt -90.75 116.91 28.96 Favored 'General case' 0 N--CA 1.452 -0.336 0 N-CA-C 109.374 -0.602 . . . . 0.0 109.374 175.647 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 83.08 -9.79 59.7 Favored Glycine 0 CA--C 1.533 1.171 0 CA-C-O 118.903 -0.943 . . . . 0.0 113.51 178.214 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 50.4 p90 -152.62 170.23 20.74 Favored 'General case' 0 N--CA 1.461 0.082 0 CA-C-N 119.037 1.419 . . . . 0.0 111.601 179.078 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -148.96 172.23 15.05 Favored 'General case' 0 CA--C 1.53 0.202 0 C-N-CA 123.784 0.834 . . . . 0.0 110.542 176.509 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 54' ' ' PHE . . . . . . . . . . . . . 11.9 m-85 -140.41 143.97 35.93 Favored 'General case' 0 N--CA 1.454 -0.263 0 C-N-CA 123.726 0.81 . . . . 0.0 110.606 -179.947 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 93.0 t -134.58 137.83 50.6 Favored 'Isoleucine or valine' 0 CA--C 1.518 -0.274 0 C-N-CA 123.657 0.783 . . . . 0.0 109.25 178.972 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 56' ' ' GLN . . . . . . . . . . . . . 59.2 tp60 -116.92 130.86 56.98 Favored 'General case' 0 N--CA 1.451 -0.397 0 N-CA-C 109.401 -0.592 . . . . 0.0 109.401 -176.966 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 57' ' ' TYR . . . . . . . . . . . . . 38.9 m-85 -113.14 176.17 5.13 Favored 'General case' 0 N--CA 1.455 -0.219 0 C-N-CA 123.342 0.657 . . . . 0.0 110.845 179.703 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 58' ' ' VAL . . . . . . . . . . . . . 69.1 t -72.3 -30.73 36.33 Favored 'Isoleucine or valine' 0 N--CA 1.456 -0.169 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.367 178.964 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 59' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -156.83 170.19 23.04 Favored 'General case' 0 CA--C 1.53 0.179 0 CA-C-N 118.082 0.401 . . . . 0.0 112.047 178.068 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 74.2 tt0 -59.69 -30.8 69.04 Favored 'General case' 0 N--CA 1.454 -0.249 0 C-N-CA 123.332 0.653 . . . . 0.0 112.212 -177.982 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 19.4 tpp180 -59.94 -39.03 84.14 Favored 'General case' 0 CA--C 1.527 0.086 0 CA-C-N 118.978 0.808 . . . . 0.0 110.298 -179.698 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 62' ' ' ASN . . . . . . . . . . . . . 17.4 m120 -71.07 -25.53 62.66 Favored 'General case' 0 N--CA 1.451 -0.425 0 C-N-CA 120.809 -0.356 . . . . 0.0 110.814 -179.864 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -76.43 -35.52 58.48 Favored 'General case' 0 N--CA 1.452 -0.334 0 N-CA-C 110.343 -0.243 . . . . 0.0 110.343 178.532 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 64' ' ' ARG . . . . . . . . . . . . . 39.8 mmt180 -69.01 -26.73 65.15 Favored 'General case' 0 CA--C 1.526 0.047 0 N-CA-C 110.12 -0.326 . . . . 0.0 110.12 178.411 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -80.09 -33.45 38.79 Favored 'General case' 0 N--CA 1.452 -0.332 0 CA-C-N 117.54 0.154 . . . . 0.0 110.879 -179.484 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -81.31 -33.74 32.36 Favored 'General case' 0 N--CA 1.452 -0.332 0 O-C-N 122.048 -0.408 . . . . 0.0 111.121 179.87 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 67' ' ' VAL . . . . . . . . . . . . . 46.7 t -67.28 -33.42 62.69 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.238 0 N-CA-C 109.926 -0.398 . . . . 0.0 109.926 176.131 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -90.05 -10.37 45.05 Favored 'General case' 0 CA--C 1.531 0.222 0 N-CA-C 112.007 0.373 . . . . 0.0 112.007 177.773 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . -102.6 -13.51 29.97 Favored Glycine 0 CA--C 1.532 1.136 0 CA-C-O 119.191 -0.783 . . . . 0.0 113.752 -177.052 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 45.8 mm-40 -133.95 -20.03 1.98 Allowed 'General case' 0 N--CA 1.465 0.302 0 CA-C-N 118.646 1.223 . . . . 0.0 112.311 -173.73 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 21.8 t70 -61.59 118.22 6.78 Favored 'General case' 0 N--CA 1.456 -0.13 0 CA-C-N 119.131 0.878 . . . . 0.0 109.93 178.701 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . 87.28 10.65 70.75 Favored Glycine 0 CA--C 1.524 0.643 0 N-CA-C 111.205 -0.758 . . . . 0.0 111.205 179.433 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 73' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -76.48 169.72 17.72 Favored 'General case' 0 N--CA 1.449 -0.509 0 N-CA-C 106.383 -1.71 . . . . 0.0 106.383 171.475 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 74' ' ' MET . . . . . . . . . . . . . 33.7 ttm -115.29 121.74 43.8 Favored 'General case' 0 N--CA 1.448 -0.552 0 N-CA-C 109.078 -0.712 . . . . 0.0 109.078 -177.095 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 75' ' ' ILE . . . . . . . . . . . . . 0.2 OUTLIER -129.01 135.7 61.47 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.318 0 N-CA-C 109.562 -0.532 . . . . 0.0 109.562 179.286 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . 54.46 18.19 1.86 Allowed 'General case' 0 CA--C 1.533 0.316 0 C-N-CA 123.245 0.618 . . . . 0.0 112.298 -174.01 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 89.3 3.56 75.33 Favored Glycine 0 CA--C 1.527 0.82 0 N-CA-C 112.099 -0.4 . . . . 0.0 112.099 -179.256 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 78' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -123.73 132.22 53.77 Favored 'General case' 0 N--CA 1.45 -0.442 0 CA-C-N 117.687 0.744 . . . . 0.0 110.307 -179.105 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 79' ' ' VAL . . . . . . . . . . . . . 50.1 t -64.36 140.93 18.89 Favored 'Isoleucine or valine' 0 CA--C 1.522 -0.127 0 C-N-CA 124.4 1.08 . . . . 0.0 110.507 -178.87 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 29.3 mt -96.12 155.98 16.53 Favored 'General case' 0 N--CA 1.456 -0.153 0 CA-C-O 120.864 0.364 . . . . 0.0 111.4 177.224 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 81' ' ' ASP . . . . . . . . . . . . . 7.3 m-20 -123.07 103.14 8.39 Favored 'General case' 0 N--CA 1.453 -0.293 0 N-CA-C 107.727 -1.212 . . . . 0.0 107.727 174.684 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 82' ' ' ILE . . . . . . . . . . . . . 65.5 mt -118.59 139.13 46.98 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.355 0 C-N-CA 123.143 0.577 . . . . 0.0 110.433 -169.847 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 83' ' ' ASN . . . . . . . . . . . . . 1.1 p-10 -161.04 172.0 17.62 Favored 'General case' 0 CA--C 1.529 0.163 0 C-N-CA 123.373 0.669 . . . . 0.0 110.174 -178.564 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 84' ' ' LEU . . . . . . . . . . . . . 3.2 mm? -64.54 150.32 47.0 Favored 'General case' 0 N--CA 1.455 -0.176 0 N-CA-C 109.271 -0.64 . . . . 0.0 109.271 176.37 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.534 0.342 0 N-CA-C 112.002 0.371 . . . . 0.0 112.002 177.33 . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' A' A ' 98' ' ' LYS . . . . . . . . . . . . . 35.3 mmtp . . . . . 0 C--O 1.232 0.162 0 CA-C-O 120.359 0.123 . . . . 0.0 111.172 . . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' A' A ' 99' ' ' ARG . . . . . 0.422 ' HG3' ' H ' ' A' ' 100' ' ' SER . 14.9 tpt180 -136.42 174.13 10.96 Favored 'General case' 0 CA--C 1.529 0.141 0 C-N-CA 123.875 0.87 . . . . 0.0 109.873 -177.374 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 100' ' ' SER . . . . . 0.422 ' H ' ' HG3' ' A' ' 99' ' ' ARG . 75.0 m -60.4 -18.14 48.66 Favored 'General case' 0 N--CA 1.457 -0.124 0 C-N-CA 123.478 0.711 . . . . 0.0 112.172 179.146 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 101' ' ' ALA . . . . . . . . . . . . . . . 52.63 16.51 0.66 Allowed 'General case' 0 CA--C 1.533 0.301 0 C-N-CA 123.94 0.896 . . . . 0.0 112.728 -177.069 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -148.01 5.85 0.77 Allowed 'General case' 0 N--CA 1.454 -0.261 0 C-N-CA 123.03 0.532 . . . . 0.0 111.496 -178.162 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 16.9 pt-20 -73.11 -7.67 52.35 Favored 'General case' 0 CA--C 1.533 0.306 0 O-C-N 122.034 -0.417 . . . . 0.0 111.917 -177.833 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 104' ' ' MET . . . . . . . . . . . . . 71.3 mtm -99.29 5.39 46.57 Favored 'General case' 0 N--CA 1.456 -0.157 0 C-N-CA 123.629 0.771 . . . . 0.0 111.487 -179.874 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 105' ' ' TYR . . . . . . . . . . . . . 49.3 m-85 -132.33 5.43 4.09 Favored 'General case' 0 CA--C 1.531 0.232 0 C-N-CA 122.936 0.494 . . . . 0.0 111.489 -177.748 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 106' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--N 1.337 0.628 0 N-CA-C 110.734 -0.946 . . . . 0.0 110.734 -179.83 . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' A' A ' 4' ' ' ASN . . . . . . . . . . . . . 95.3 m-20 . . . . . 0 N--CA 1.457 -0.104 0 CA-C-O 119.868 -0.111 . . . . 0.0 111.116 . . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 94.3 t -91.97 133.76 32.39 Favored 'Isoleucine or valine' 0 N--CA 1.456 -0.161 0 CA-C-O 120.787 0.327 . . . . 0.0 111.649 -175.143 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 72.9 p -149.72 5.55 0.6 Allowed 'General case' 0 C--O 1.225 -0.226 0 C-N-CA 124.124 0.969 . . . . 0.0 111.94 -178.355 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 7' ' ' ASN . . . . . . . . . . . . . 40.3 p30 . . . . . 0 C--N 1.341 0.198 0 N-CA-C 114.333 1.234 . . . . 0.0 114.333 -172.79 . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 81.5 p . . . . . 0 CA--C 1.531 0.245 0 CA-C-O 120.174 0.035 . . . . 0.0 110.974 . . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 28.9 ttp-105 -101.34 154.01 19.16 Favored 'General case' 0 N--CA 1.455 -0.215 0 C-N-CA 123.691 0.796 . . . . 0.0 109.965 177.604 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 97.5 t -128.93 131.88 67.87 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.273 0 C-N-CA 123.128 0.571 . . . . 0.0 110.081 177.323 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 23.1 t80 -89.62 135.21 33.74 Favored 'General case' 0 N--CA 1.45 -0.429 0 C-N-CA 123.668 0.787 . . . . 0.0 109.433 175.183 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 64.0 mt -122.55 85.5 0.95 Allowed 'Isoleucine or valine' 0 N--CA 1.456 -0.172 0 N-CA-C 108.101 -1.074 . . . . 0.0 108.101 179.559 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -85.18 174.14 48.96 Favored Glycine 0 CA--C 1.522 0.523 0 N-CA-C 110.821 -0.911 . . . . 0.0 110.821 178.656 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 56.0 t30 48.92 48.09 20.89 Favored 'General case' 0 CA--C 1.532 0.251 0 C-N-CA 123.114 0.566 . . . . 0.0 110.969 -178.835 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 51.6 tp -97.38 143.61 27.95 Favored 'General case' 0 N--CA 1.454 -0.237 0 C-N-CA 123.016 0.527 . . . . 0.0 109.89 179.594 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 24' ' ' ASN . . . . . 0.403 ' C ' ' H ' ' A' ' 26' ' ' LEU . 64.2 t30 -69.85 -38.81 76.58 Favored 'General case' 0 CA--C 1.529 0.172 0 C-N-CA 121.079 -0.249 . . . . 0.0 111.454 -178.179 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 30.1 p 56.7 -4.93 0.03 OUTLIER 'General case' 0 N--CA 1.468 0.465 0 C-N-CA 126.978 2.111 . . . . 0.0 115.234 179.441 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 26' ' ' LEU . . . . . 0.403 ' H ' ' C ' ' A' ' 24' ' ' ASN . 3.8 mm? -88.92 -16.22 32.41 Favored 'General case' 0 CA--C 1.528 0.128 0 CA-C-N 118.395 0.543 . . . . 0.0 111.37 177.979 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 48.4 t -127.17 -18.32 2.57 Favored 'Isoleucine or valine' 0 CA--C 1.528 0.099 0 C-N-CA 122.917 0.487 . . . . 0.0 110.875 179.763 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 58.2 t -110.21 139.78 32.12 Favored 'Isoleucine or valine' 0 C--N 1.339 0.119 0 O-C-N 122.182 -0.324 . . . . 0.0 110.335 178.059 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 2.9 mptp? -133.34 171.87 13.47 Favored 'General case' 0 CA--C 1.521 -0.159 0 C-N-CA 124.589 1.156 . . . . 0.0 109.688 -179.541 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 7.3 ptmm? -62.72 -10.12 11.59 Favored 'General case' 0 CA--C 1.53 0.206 0 C-N-CA 124.17 0.988 . . . . 0.0 112.517 -179.0 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 53.5 p -93.07 -15.11 26.48 Favored 'General case' 0 N--CA 1.457 -0.104 0 C-N-CA 123.431 0.692 . . . . 0.0 110.705 177.175 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 44.0 m-20 -98.12 -36.0 10.22 Favored 'General case' 0 N--CA 1.451 -0.401 0 C-N-CA 124.355 1.062 . . . . 0.0 110.316 178.079 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 71.2 t -62.39 -33.15 57.69 Favored 'Isoleucine or valine' 0 N--CA 1.456 -0.145 0 N-CA-C 109.609 -0.515 . . . . 0.0 109.609 179.05 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 24.6 pt-20 -80.45 8.31 7.95 Favored 'General case' 0 C--O 1.232 0.182 0 N-CA-C 111.916 0.339 . . . . 0.0 111.916 179.26 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -126.63 -7.67 6.24 Favored 'General case' 0 CA--C 1.53 0.206 0 C-N-CA 123.145 0.578 . . . . 0.0 111.053 176.613 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 76.3 mt -109.43 -27.36 2.93 Favored 'Isoleucine or valine' 0 C--N 1.339 0.109 0 C-N-CA 123.125 0.57 . . . . 0.0 110.287 179.174 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 37' ' ' PHE . . . . . . . . . . . . . 69.0 m-85 -103.65 -8.0 20.28 Favored 'General case' 0 N--CA 1.454 -0.26 0 C-N-CA 122.625 0.37 . . . . 0.0 110.869 179.881 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 25.2 t -74.34 -13.17 60.71 Favored 'General case' 0 CA--C 1.53 0.186 0 CA-C-O 120.701 0.286 . . . . 0.0 111.125 -178.901 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 13.3 ptmm? -81.52 -11.13 59.29 Favored 'General case' 0 C--N 1.339 0.111 0 C-N-CA 122.916 0.486 . . . . 0.0 112.013 179.345 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 40' ' ' TYR . . . . . . . . . . . . . 68.5 m-85 -107.13 -15.33 14.7 Favored 'General case' 0 C--N 1.339 0.142 0 CA-C-N 117.861 0.3 . . . . 0.0 111.421 178.804 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -176.82 160.91 28.47 Favored Glycine 0 C--N 1.333 0.384 0 N-CA-C 112.033 -0.427 . . . . 0.0 112.033 174.865 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 77.3 tttt -71.57 115.76 11.13 Favored 'General case' 0 N--CA 1.453 -0.309 0 N-CA-C 108.977 -0.749 . . . . 0.0 108.977 177.977 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 43' ' ' ILE . . . . . . . . . . . . . 77.6 mt -83.58 129.32 37.72 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.201 0 N-CA-C 109.756 -0.461 . . . . 0.0 109.756 -178.954 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 34.1 m -109.6 -8.11 11.35 Favored 'Isoleucine or valine' 0 C--O 1.231 0.114 0 C-N-CA 123.051 0.541 . . . . 0.0 110.757 178.865 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . -167.21 147.93 12.48 Favored Glycine 0 CA--C 1.522 0.501 0 N-CA-C 109.878 -1.289 . . . . 0.0 109.878 177.895 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 46' ' ' CYS . . . . . . . . . . . . . 21.6 p -150.53 150.92 31.88 Favored 'General case' 0 N--CA 1.452 -0.349 0 O-C-N 122.332 -0.51 . . . . 0.0 110.056 179.876 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 91.7 p -156.47 143.65 18.95 Favored 'General case' 0 N--CA 1.451 -0.393 0 N-CA-C 109.942 -0.392 . . . . 0.0 109.942 175.929 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 48' ' ' VAL . . . . . . . . . . . . . 87.3 t -120.61 146.1 26.01 Favored 'Isoleucine or valine' 0 C--O 1.232 0.14 0 N-CA-C 109.104 -0.702 . . . . 0.0 109.104 174.144 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 49' ' ' HIS . . . . . . . . . . . . . 43.5 m-70 -135.17 -168.98 2.28 Favored 'General case' 0 N--CA 1.451 -0.425 0 C-N-CA 124.417 1.087 . . . . 0.0 108.236 -176.093 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 38.5 mtmm -84.72 117.05 23.57 Favored 'General case' 0 N--CA 1.452 -0.374 0 O-C-N 121.787 -0.571 . . . . 0.0 109.966 177.605 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 79.82 -8.84 47.85 Favored Glycine 0 CA--C 1.531 1.093 0 CA-C-O 119.186 -0.786 . . . . 0.0 113.848 177.849 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 53.6 p90 -150.38 168.56 23.76 Favored 'General case' 0 CA--C 1.529 0.143 0 CA-C-N 118.86 1.33 . . . . 0.0 111.442 178.664 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -147.63 171.77 15.09 Favored 'General case' 0 N--CA 1.456 -0.172 0 C-N-CA 124.311 1.044 . . . . 0.0 110.312 176.123 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 54' ' ' PHE . . . . . . . . . . . . . 15.3 m-85 -140.14 146.62 39.04 Favored 'General case' 0 N--CA 1.454 -0.24 0 C-N-CA 123.585 0.754 . . . . 0.0 110.53 179.268 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 99.0 t -135.19 137.88 49.57 Favored 'Isoleucine or valine' 0 CA--C 1.517 -0.29 0 C-N-CA 123.63 0.772 . . . . 0.0 109.164 178.301 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 56' ' ' GLN . . . . . . . . . . . . . 60.4 tp60 -118.04 129.8 55.78 Favored 'General case' 0 N--CA 1.445 -0.678 0 N-CA-C 109.315 -0.624 . . . . 0.0 109.315 -176.31 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 57' ' ' TYR . . . . . 0.448 ' HH ' ' CB ' ' A' ' 66' ' ' ALA . 44.3 m-85 -112.33 176.83 4.85 Favored 'General case' 0 N--CA 1.455 -0.214 0 C-N-CA 123.516 0.726 . . . . 0.0 110.971 -179.281 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 58' ' ' VAL . . . . . . . . . . . . . 73.6 t -72.67 -30.71 34.46 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.193 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.329 178.787 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 59' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -156.35 170.7 21.68 Favored 'General case' 0 CA--C 1.529 0.169 0 N-CA-C 112.23 0.456 . . . . 0.0 112.23 178.178 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 78.1 tt0 -60.72 -30.63 70.09 Favored 'General case' 0 N--CA 1.457 -0.092 0 C-N-CA 123.588 0.755 . . . . 0.0 112.181 -177.719 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 24.8 tpt180 -58.33 -39.54 79.71 Favored 'General case' 0 C--N 1.339 0.115 0 CA-C-N 119.039 0.836 . . . . 0.0 109.862 179.401 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 62' ' ' ASN . . . . . . . . . . . . . 20.2 m120 -71.27 -25.06 62.3 Favored 'General case' 0 N--CA 1.45 -0.432 0 C-N-CA 120.711 -0.396 . . . . 0.0 111.122 -179.598 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -74.88 -38.37 61.93 Favored 'General case' 0 N--CA 1.453 -0.277 0 N-CA-C 110.473 -0.195 . . . . 0.0 110.473 177.923 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 64' ' ' ARG . . . . . . . . . . . . . 37.7 mmt180 -68.78 -26.57 65.28 Favored 'General case' 0 N--CA 1.457 -0.084 0 O-C-N 122.381 -0.199 . . . . 0.0 110.538 179.342 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -79.32 -32.79 43.51 Favored 'General case' 0 N--CA 1.452 -0.362 0 C-N-CA 122.005 0.122 . . . . 0.0 110.913 -178.943 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 66' ' ' ALA . . . . . 0.448 ' CB ' ' HH ' ' A' ' 57' ' ' TYR . . . -83.53 -34.06 25.34 Favored 'General case' 0 N--CA 1.453 -0.277 0 O-C-N 122.267 -0.271 . . . . 0.0 111.437 179.231 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 67' ' ' VAL . . . . . . . . . . . . . 49.7 t -65.71 -32.48 58.38 Favored 'Isoleucine or valine' 0 N--CA 1.456 -0.129 0 N-CA-C 109.962 -0.385 . . . . 0.0 109.962 175.302 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -93.49 -10.27 35.52 Favored 'General case' 0 CA--C 1.529 0.166 0 N-CA-C 112.049 0.389 . . . . 0.0 112.049 178.282 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . -101.78 -14.22 30.01 Favored Glycine 0 CA--C 1.528 0.898 0 CA-C-O 119.396 -0.669 . . . . 0.0 113.894 -177.687 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 42.2 mm-40 -132.58 -19.3 2.4 Favored 'General case' 0 N--CA 1.465 0.3 0 CA-C-N 118.548 1.174 . . . . 0.0 112.375 -174.093 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 20.9 t70 -61.59 118.3 6.88 Favored 'General case' 0 N--CA 1.454 -0.236 0 O-C-N 121.288 -0.883 . . . . 0.0 109.986 178.243 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . 87.28 10.35 71.31 Favored Glycine 0 C--N 1.336 0.567 0 N-CA-C 111.017 -0.833 . . . . 0.0 111.017 179.132 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 73' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -75.6 169.69 17.61 Favored 'General case' 0 N--CA 1.451 -0.411 0 N-CA-C 106.419 -1.697 . . . . 0.0 106.419 171.563 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 74' ' ' MET . . . . . . . . . . . . . 33.4 ttm -115.63 121.32 42.22 Favored 'General case' 0 N--CA 1.449 -0.511 0 N-CA-C 109.23 -0.656 . . . . 0.0 109.23 -177.197 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 75' ' ' ILE . . . . . . . . . . . . . 0.2 OUTLIER -128.39 135.65 62.04 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.352 0 CA-C-N 115.976 -0.556 . . . . 0.0 109.542 179.664 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . 54.81 17.9 1.95 Allowed 'General case' 0 CA--C 1.535 0.366 0 C-N-CA 123.198 0.599 . . . . 0.0 112.22 -174.413 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 89.08 5.02 73.87 Favored Glycine 0 CA--C 1.528 0.879 0 CA-C-O 119.623 -0.543 . . . . 0.0 111.998 -179.186 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 78' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -125.16 131.67 53.19 Favored 'General case' 0 N--CA 1.453 -0.312 0 CA-C-N 117.8 0.8 . . . . 0.0 110.251 -179.425 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 79' ' ' VAL . . . . . . . . . . . . . 50.1 t -62.94 141.74 17.68 Favored 'Isoleucine or valine' 0 N--CA 1.462 0.145 0 C-N-CA 124.402 1.081 . . . . 0.0 110.24 -178.865 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 32.3 mt -96.85 155.63 16.69 Favored 'General case' 0 C--O 1.231 0.113 0 CA-C-O 120.886 0.374 . . . . 0.0 111.059 176.612 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 81' ' ' ASP . . . . . . . . . . . . . 4.2 m-20 -123.3 99.27 6.25 Favored 'General case' 0 N--CA 1.452 -0.355 0 N-CA-C 107.741 -1.207 . . . . 0.0 107.741 176.561 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 82' ' ' ILE . . . . . . . . . . . . . 63.9 mt -113.39 141.66 28.47 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.272 0 C-N-CA 123.348 0.659 . . . . 0.0 109.967 -170.247 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 83' ' ' ASN . . . . . . . . . . . . . 52.7 t30 -154.58 157.28 38.01 Favored 'General case' 0 N--CA 1.456 -0.153 0 C-N-CA 122.664 0.386 . . . . 0.0 111.235 -175.237 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 84' ' ' LEU . . . . . . . . . . . . . 1.2 tm? -60.78 127.77 33.28 Favored 'General case' 0 N--CA 1.452 -0.34 0 N-CA-C 108.316 -0.994 . . . . 0.0 108.316 172.516 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.531 0.234 0 N-CA-C 114.76 1.393 . . . . 0.0 114.76 -172.823 . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' A' A ' 98' ' ' LYS . . . . . . . . . . . . . 34.9 mmtp . . . . . 0 CA--C 1.529 0.153 0 N-CA-C 111.553 0.205 . . . . 0.0 111.553 . . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' A' A ' 99' ' ' ARG . . . . . . . . . . . . . 53.0 ttt180 -103.97 171.78 7.16 Favored 'General case' 0 N--CA 1.456 -0.172 0 C-N-CA 124.235 1.014 . . . . 0.0 109.593 -179.273 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 58.2 m -63.53 -15.9 59.25 Favored 'General case' 0 CA--C 1.528 0.121 0 C-N-CA 122.446 0.298 . . . . 0.0 111.606 176.858 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 101' ' ' ALA . . . . . . . . . . . . . . . 52.41 14.1 0.35 Allowed 'General case' 0 CA--C 1.532 0.287 0 C-N-CA 124.215 1.006 . . . . 0.0 112.909 -176.968 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -149.45 2.18 0.54 Allowed 'General case' 0 CA--C 1.532 0.287 0 C-N-CA 123.208 0.603 . . . . 0.0 112.207 -178.128 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 11.7 pt-20 -80.12 -4.01 51.16 Favored 'General case' 0 CA--C 1.529 0.157 0 O-C-N 121.986 -0.446 . . . . 0.0 112.09 -178.066 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 104' ' ' MET . . . . . . . . . . . . . 73.4 mtm -105.98 10.01 32.42 Favored 'General case' 0 CA--C 1.532 0.251 0 C-N-CA 123.776 0.831 . . . . 0.0 111.351 -179.634 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 105' ' ' TYR . . . . . . . . . . . . . 61.8 m-85 -130.77 2.82 4.46 Favored 'General case' 0 CA--C 1.529 0.146 0 C-N-CA 122.943 0.497 . . . . 0.0 111.617 -178.639 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 106' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--N 1.337 0.635 0 N-CA-C 110.516 -1.033 . . . . 0.0 110.516 179.979 . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' A' A ' 4' ' ' ASN . . . . . . . . . . . . . 3.4 p-10 . . . . . 0 N--CA 1.454 -0.238 0 N-CA-C 111.225 0.083 . . . . 0.0 111.225 . . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 91.8 t -94.26 133.2 36.06 Favored 'Isoleucine or valine' 0 N--CA 1.456 -0.151 0 C-N-CA 122.691 0.397 . . . . 0.0 110.921 -177.005 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 65.7 p -146.98 9.78 1.0 Allowed 'General case' 0 CA--C 1.529 0.154 0 C-N-CA 123.485 0.714 . . . . 0.0 111.701 -179.85 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 7' ' ' ASN . . . . . . . . . . . . . 62.8 t-20 . . . . . 0 C--O 1.231 0.128 0 CA-C-N 118.931 0.787 . . . . 0.0 111.484 -177.727 . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 77.8 p . . . . . 0 N--CA 1.454 -0.236 0 CA-C-O 120.389 0.138 . . . . 0.0 110.948 . . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 36.6 ttm180 -106.04 154.19 20.97 Favored 'General case' 0 C--O 1.232 0.169 0 C-N-CA 124.459 1.104 . . . . 0.0 110.271 -179.108 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 87.5 t -130.06 132.43 65.4 Favored 'Isoleucine or valine' 0 N--CA 1.456 -0.155 0 CA-C-O 120.752 0.31 . . . . 0.0 110.295 177.42 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 25.6 t80 -93.16 132.53 37.22 Favored 'General case' 0 N--CA 1.452 -0.372 0 C-N-CA 123.97 0.908 . . . . 0.0 109.011 175.622 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 63.1 mt -120.69 85.59 0.93 Allowed 'Isoleucine or valine' 0 N--CA 1.454 -0.229 0 N-CA-C 108.039 -1.097 . . . . 0.0 108.039 -179.374 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -84.34 174.53 50.66 Favored Glycine 0 CA--C 1.523 0.59 0 N-CA-C 110.75 -0.94 . . . . 0.0 110.75 178.423 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 62.3 t30 48.62 47.79 20.34 Favored 'General case' 0 CA--C 1.53 0.187 0 C-N-CA 123.143 0.577 . . . . 0.0 111.207 -179.002 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 52.7 tp -99.72 145.05 28.09 Favored 'General case' 0 N--CA 1.453 -0.296 0 N-CA-C 109.269 -0.641 . . . . 0.0 109.269 179.499 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 24' ' ' ASN . . . . . 0.406 ' C ' ' H ' ' A' ' 26' ' ' LEU . 64.8 t30 -68.71 -39.73 80.33 Favored 'General case' 0 N--CA 1.456 -0.16 0 O-C-N 122.326 -0.234 . . . . 0.0 111.019 -178.232 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 27.7 p 55.18 -0.83 0.03 OUTLIER 'General case' 0 N--CA 1.465 0.298 0 C-N-CA 126.904 2.081 . . . . 0.0 115.503 178.521 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 26' ' ' LEU . . . . . 0.406 ' H ' ' C ' ' A' ' 24' ' ' ASN . 79.2 mt -89.45 -20.69 23.6 Favored 'General case' 0 N--CA 1.453 -0.314 0 C-N-CA 123.558 0.743 . . . . 0.0 111.748 175.634 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 60.9 t -120.87 -26.67 2.17 Favored 'Isoleucine or valine' 0 N--CA 1.462 0.127 0 C-N-CA 122.776 0.43 . . . . 0.0 111.374 -178.516 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 51.4 t -101.46 146.44 9.79 Favored 'Isoleucine or valine' 0 CA--C 1.527 0.087 0 CA-C-N 117.989 0.359 . . . . 0.0 110.092 179.602 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 8.1 mptt -134.98 171.46 14.39 Favored 'General case' 0 C--O 1.227 -0.098 0 C-N-CA 123.432 0.693 . . . . 0.0 110.294 -178.332 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 5.8 ptmm? -65.35 -6.75 10.85 Favored 'General case' 0 CA--C 1.529 0.147 0 C-N-CA 123.902 0.881 . . . . 0.0 112.01 178.818 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 40.9 m -98.72 -0.15 43.37 Favored 'General case' 0 CA--C 1.529 0.163 0 C-N-CA 123.509 0.723 . . . . 0.0 110.704 175.255 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 21.7 m-20 -115.84 -34.27 4.85 Favored 'General case' 0 N--CA 1.453 -0.312 0 C-N-CA 124.026 0.93 . . . . 0.0 110.343 179.939 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 84.7 t -65.37 -31.02 52.02 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.202 0 N-CA-C 108.819 -0.808 . . . . 0.0 108.819 178.643 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 25.4 pt-20 -79.6 8.61 6.17 Favored 'General case' 0 CA--C 1.532 0.257 0 N-CA-C 111.844 0.312 . . . . 0.0 111.844 177.875 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -126.97 -8.14 6.02 Favored 'General case' 0 N--CA 1.455 -0.217 0 C-N-CA 123.331 0.652 . . . . 0.0 111.147 176.911 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 74.6 mt -108.91 -27.56 2.91 Favored 'Isoleucine or valine' 0 C--N 1.339 0.124 0 C-N-CA 123.284 0.634 . . . . 0.0 110.375 178.671 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 37' ' ' PHE . . . . . . . . . . . . . 57.4 m-85 -102.83 -8.82 20.46 Favored 'General case' 0 N--CA 1.453 -0.307 0 C-N-CA 122.66 0.384 . . . . 0.0 110.784 -179.84 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 69.1 p -72.63 -15.15 61.73 Favored 'General case' 0 C--N 1.335 -0.058 0 C-N-CA 122.646 0.378 . . . . 0.0 111.535 -178.749 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 18.5 ptmt -80.02 -11.69 59.76 Favored 'General case' 0 N--CA 1.457 -0.125 0 C-N-CA 123.054 0.541 . . . . 0.0 112.342 179.011 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 40' ' ' TYR . . . . . . . . . . . . . 70.1 m-85 -105.68 -16.06 14.79 Favored 'General case' 0 C--O 1.233 0.208 0 C-N-CA 122.426 0.29 . . . . 0.0 111.308 178.125 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -175.74 161.66 30.53 Favored Glycine 0 CA--C 1.524 0.611 0 N-CA-C 111.864 -0.494 . . . . 0.0 111.864 174.319 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 78.1 tttt -71.65 114.83 10.14 Favored 'General case' 0 N--CA 1.452 -0.35 0 N-CA-C 108.72 -0.844 . . . . 0.0 108.72 177.52 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 43' ' ' ILE . . . . . . . . . . . . . 75.8 mt -84.05 129.84 36.91 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.26 0 N-CA-C 109.515 -0.55 . . . . 0.0 109.515 -178.536 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 33.6 m -108.89 -6.01 10.92 Favored 'Isoleucine or valine' 0 C--O 1.231 0.119 0 C-N-CA 123.293 0.637 . . . . 0.0 110.766 178.923 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . -170.0 146.25 9.82 Favored Glycine 0 CA--C 1.526 0.761 0 N-CA-C 109.961 -1.256 . . . . 0.0 109.961 177.517 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 46' ' ' CYS . . . . . . . . . . . . . 42.5 t -151.1 146.26 26.04 Favored 'General case' 0 N--CA 1.451 -0.395 0 CA-C-N 116.914 0.357 . . . . 0.0 110.254 -179.135 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 92.5 p -152.06 150.65 30.17 Favored 'General case' 0 N--CA 1.451 -0.395 0 CA-C-O 121.022 0.439 . . . . 0.0 110.096 177.204 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 48' ' ' VAL . . . . . . . . . . . . . 97.5 t -128.42 149.14 32.97 Favored 'Isoleucine or valine' 0 N--CA 1.456 -0.136 0 N-CA-C 108.617 -0.882 . . . . 0.0 108.617 175.534 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 49' ' ' HIS . . . . . . . . . . . . . 48.6 m-70 -136.02 -160.18 1.03 Allowed 'General case' 0 N--CA 1.451 -0.422 0 N-CA-C 107.961 -1.126 . . . . 0.0 107.961 -176.468 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 29.3 mmmt -97.15 117.81 32.18 Favored 'General case' 0 N--CA 1.456 -0.172 0 O-C-N 121.668 -0.645 . . . . 0.0 109.801 175.969 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 83.85 -9.39 62.95 Favored Glycine 0 CA--C 1.531 1.069 0 C-N-CA 123.627 0.632 . . . . 0.0 113.188 179.4 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 44.7 p90 -153.92 170.14 21.75 Favored 'General case' 0 C--O 1.232 0.138 0 CA-C-N 118.566 1.183 . . . . 0.0 111.919 179.488 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -148.75 172.32 14.8 Favored 'General case' 0 CA--C 1.531 0.224 0 C-N-CA 124.085 0.954 . . . . 0.0 110.06 176.256 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 54' ' ' PHE . . . . . . . . . . . . . 7.6 m-85 -139.67 148.88 43.01 Favored 'General case' 0 N--CA 1.455 -0.193 0 C-N-CA 123.325 0.65 . . . . 0.0 110.647 179.034 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 99.4 t -135.67 149.18 28.04 Favored 'Isoleucine or valine' 0 CA--C 1.519 -0.238 0 C-N-CA 123.938 0.895 . . . . 0.0 108.862 177.558 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 56' ' ' GLN . . . . . . . . . . . . . 65.1 tp60 -129.28 131.68 47.03 Favored 'General case' 0 N--CA 1.451 -0.4 0 N-CA-C 109.2 -0.667 . . . . 0.0 109.2 -178.689 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 57' ' ' TYR . . . . . 0.472 ' HH ' ' CB ' ' A' ' 66' ' ' ALA . 45.0 m-85 -114.74 176.29 5.12 Favored 'General case' 0 N--CA 1.457 -0.103 0 C-N-CA 123.467 0.707 . . . . 0.0 110.801 -179.003 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 58' ' ' VAL . . . . . . . . . . . . . 72.1 t -72.12 -31.23 39.05 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.357 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.056 178.116 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 59' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -155.78 168.53 26.91 Favored 'General case' 0 N--CA 1.454 -0.27 0 N-CA-C 112.302 0.482 . . . . 0.0 112.302 178.133 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 76.7 tt0 -58.19 -31.49 67.35 Favored 'General case' 0 CA--C 1.529 0.165 0 C-N-CA 123.952 0.901 . . . . 0.0 112.249 -178.678 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 19.2 tpp180 -59.13 -38.76 80.43 Favored 'General case' 0 C--O 1.23 0.065 0 CA-C-N 118.864 0.757 . . . . 0.0 110.124 -179.694 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 62' ' ' ASN . . . . . . . . . . . . . 19.4 m120 -71.29 -24.95 62.25 Favored 'General case' 0 N--CA 1.451 -0.405 0 C-N-CA 121.058 -0.257 . . . . 0.0 110.868 179.839 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -76.13 -37.21 58.32 Favored 'General case' 0 N--CA 1.455 -0.211 0 N-CA-C 110.045 -0.354 . . . . 0.0 110.045 178.473 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 64' ' ' ARG . . . . . . . . . . . . . 39.6 mmt180 -67.49 -28.12 67.58 Favored 'General case' 0 C--O 1.23 0.054 0 N-CA-C 109.86 -0.422 . . . . 0.0 109.86 178.283 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -77.81 -33.09 52.63 Favored 'General case' 0 N--CA 1.453 -0.315 0 CA-C-N 117.524 0.147 . . . . 0.0 110.873 -178.833 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 66' ' ' ALA . . . . . 0.472 ' CB ' ' HH ' ' A' ' 57' ' ' TYR . . . -83.5 -34.95 25.22 Favored 'General case' 0 N--CA 1.452 -0.336 0 N-CA-C 111.632 0.234 . . . . 0.0 111.632 179.693 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 67' ' ' VAL . . . . . . . . . . . . . 51.8 t -65.58 -30.7 50.96 Favored 'Isoleucine or valine' 0 C--O 1.227 -0.088 0 N-CA-C 110.019 -0.363 . . . . 0.0 110.019 175.805 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -95.51 -10.07 30.74 Favored 'General case' 0 CA--C 1.531 0.219 0 N-CA-C 112.156 0.428 . . . . 0.0 112.156 177.917 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . -101.71 -14.03 30.68 Favored Glycine 0 CA--C 1.529 0.949 0 CA-C-O 119.175 -0.791 . . . . 0.0 113.87 -177.673 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 41.0 mm-40 -132.37 -18.96 2.49 Favored 'General case' 0 N--CA 1.463 0.188 0 CA-C-N 118.654 1.227 . . . . 0.0 112.116 -174.194 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 20.6 t70 -61.59 117.95 6.43 Favored 'General case' 0 N--CA 1.455 -0.188 0 O-C-N 121.337 -0.852 . . . . 0.0 110.008 178.579 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . 87.4 9.7 72.16 Favored Glycine 0 C--N 1.338 0.649 0 N-CA-C 111.271 -0.732 . . . . 0.0 111.271 179.636 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 73' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -75.19 169.67 17.56 Favored 'General case' 0 N--CA 1.451 -0.407 0 N-CA-C 106.555 -1.646 . . . . 0.0 106.555 171.175 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 74' ' ' MET . . . . . . . . . . . . . 34.3 ttm -115.28 121.56 43.26 Favored 'General case' 0 N--CA 1.448 -0.563 0 N-CA-C 109.404 -0.591 . . . . 0.0 109.404 -177.12 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 75' ' ' ILE . . . . . . . . . . . . . 0.2 OUTLIER -129.14 136.35 59.8 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.286 0 N-CA-C 109.396 -0.594 . . . . 0.0 109.396 179.544 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . 54.31 17.88 1.67 Allowed 'General case' 0 CA--C 1.532 0.262 0 C-N-CA 123.146 0.578 . . . . 0.0 112.143 -174.088 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 88.68 4.53 75.93 Favored Glycine 0 CA--C 1.527 0.808 0 CA-C-O 119.64 -0.533 . . . . 0.0 112.079 -179.369 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 78' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -124.05 131.57 53.57 Favored 'General case' 0 N--CA 1.452 -0.366 0 CA-C-N 117.711 0.756 . . . . 0.0 110.151 -179.371 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 79' ' ' VAL . . . . . . . . . . . . . 51.2 t -63.59 140.92 18.87 Favored 'Isoleucine or valine' 0 N--CA 1.46 0.069 0 C-N-CA 123.985 0.914 . . . . 0.0 110.542 -178.915 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 31.0 mt -94.92 157.39 15.93 Favored 'General case' 0 C--O 1.23 0.042 0 CA-C-O 120.896 0.379 . . . . 0.0 111.437 177.354 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 81' ' ' ASP . . . . . . . . . . . . . 38.6 t70 -124.05 101.01 7.0 Favored 'General case' 0 N--CA 1.453 -0.287 0 N-CA-C 107.796 -1.187 . . . . 0.0 107.796 175.887 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 82' ' ' ILE . . . . . . . . . . . . . 62.6 mt -114.96 138.79 44.1 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.238 0 C-N-CA 122.725 0.41 . . . . 0.0 110.397 -170.83 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 83' ' ' ASN . . . . . . . . . . . . . 6.1 t30 -154.01 158.02 39.96 Favored 'General case' 0 N--CA 1.454 -0.231 0 C-N-CA 123.15 0.58 . . . . 0.0 109.594 -175.863 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 84' ' ' LEU . . . . . . . . . . . . . 9.7 tp -61.5 143.49 55.84 Favored 'General case' 0 N--CA 1.45 -0.442 0 O-C-N 121.697 -0.627 . . . . 0.0 109.832 174.886 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.532 0.288 0 N-CA-C 113.159 0.8 . . . . 0.0 113.159 -177.098 . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' A' A ' 98' ' ' LYS . . . . . . . . . . . . . 71.9 mmtt . . . . . 0 C--O 1.231 0.083 0 CA-C-O 120.637 0.256 . . . . 0.0 110.777 . . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' A' A ' 99' ' ' ARG . . . . . . . . . . . . . 16.6 tpp180 -138.89 170.47 15.93 Favored 'General case' 0 N--CA 1.452 -0.35 0 C-N-CA 124.063 0.945 . . . . 0.0 109.96 -177.017 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 74.5 m -64.89 -14.24 59.06 Favored 'General case' 0 N--CA 1.456 -0.175 0 C-N-CA 123.386 0.674 . . . . 0.0 112.185 178.868 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 101' ' ' ALA . . . . . . . . . . . . . . . 53.12 15.76 0.66 Allowed 'General case' 0 CA--C 1.533 0.326 0 C-N-CA 123.829 0.851 . . . . 0.0 112.596 -175.764 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -148.94 15.68 0.94 Allowed 'General case' 0 CA--C 1.531 0.215 0 C-N-CA 123.564 0.745 . . . . 0.0 110.822 -178.337 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 20.9 pt-20 -69.62 -5.44 24.7 Favored 'General case' 0 CA--C 1.531 0.222 0 N-CA-C 112.531 0.567 . . . . 0.0 112.531 -176.565 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 104' ' ' MET . . . . . . . . . . . . . 73.8 mtm -105.16 7.15 33.62 Favored 'General case' 0 CA--C 1.528 0.107 0 C-N-CA 123.515 0.726 . . . . 0.0 111.17 178.839 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 105' ' ' TYR . . . . . . . . . . . . . 59.1 m-85 -133.73 4.08 3.57 Favored 'General case' 0 CA--C 1.53 0.209 0 C-N-CA 123.196 0.598 . . . . 0.0 111.77 -177.988 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 106' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--N 1.34 0.758 0 N-CA-C 110.494 -1.043 . . . . 0.0 110.494 179.766 . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' A' A ' 4' ' ' ASN . . . . . . . . . . . . . 88.9 m-20 . . . . . 0 CA--C 1.53 0.192 0 CA-C-O 120.003 -0.046 . . . . 0.0 110.979 . . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 84.8 t -88.98 131.09 37.19 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.277 0 CA-C-O 120.681 0.277 . . . . 0.0 111.425 -175.782 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 67.3 p -146.28 10.25 1.12 Allowed 'General case' 0 C--O 1.225 -0.19 0 CA-C-N 115.726 -0.67 . . . . 0.0 111.45 179.355 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 7' ' ' ASN . . . . . . . . . . . . . 61.4 t-20 . . . . . 0 C--O 1.232 0.154 0 CA-C-N 119.458 1.026 . . . . 0.0 111.127 -178.37 . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 18.0 m . . . . . 0 N--CA 1.455 -0.217 0 CA-C-O 120.421 0.153 . . . . 0.0 110.846 . . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 30.1 ttp-105 -104.85 151.72 23.48 Favored 'General case' 0 N--CA 1.454 -0.262 0 C-N-CA 123.928 0.891 . . . . 0.0 109.287 178.176 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 82.3 t -126.09 129.96 72.19 Favored 'Isoleucine or valine' 0 N--CA 1.449 -0.498 0 C-N-CA 123.234 0.613 . . . . 0.0 109.608 178.518 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 19.2 t80 -92.46 133.85 35.51 Favored 'General case' 0 N--CA 1.451 -0.39 0 CA-C-N 115.234 -0.894 . . . . 0.0 108.981 175.949 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 58.7 mt -121.52 83.89 0.83 Allowed 'Isoleucine or valine' 0 CA--C 1.52 -0.187 0 N-CA-C 107.865 -1.161 . . . . 0.0 107.865 -178.69 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -85.92 173.47 47.0 Favored Glycine 0 CA--C 1.523 0.582 0 N-CA-C 111.045 -0.822 . . . . 0.0 111.045 178.968 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 6.7 t30 51.16 43.5 29.14 Favored 'General case' 0 CA--C 1.531 0.239 0 C-N-CA 123.115 0.566 . . . . 0.0 110.364 179.894 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 60.0 tp -97.37 146.9 24.72 Favored 'General case' 0 CA--C 1.529 0.172 0 C-N-CA 124.265 1.026 . . . . 0.0 109.416 -179.723 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 64.2 t30 -68.97 -42.77 76.13 Favored 'General case' 0 N--CA 1.455 -0.211 0 O-C-N 122.147 -0.346 . . . . 0.0 110.789 -177.91 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 33.5 p 57.32 -4.08 0.04 OUTLIER 'General case' 0 N--CA 1.465 0.296 0 C-N-CA 126.958 2.103 . . . . 0.0 115.155 179.66 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 68.2 mt -83.43 -22.59 32.61 Favored 'General case' 0 N--CA 1.453 -0.324 0 O-C-N 121.894 -0.504 . . . . 0.0 111.97 174.923 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 62.1 t -121.02 -25.46 2.48 Favored 'Isoleucine or valine' 0 CA--C 1.529 0.139 0 C-N-CA 122.777 0.431 . . . . 0.0 111.747 -177.679 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 59.3 t -99.68 146.34 8.95 Favored 'Isoleucine or valine' 0 N--CA 1.461 0.118 0 CA-C-N 118.218 0.463 . . . . 0.0 110.66 179.948 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 8.2 mptt -135.61 171.45 14.43 Favored 'General case' 0 CA--C 1.521 -0.152 0 C-N-CA 123.536 0.735 . . . . 0.0 109.839 -178.764 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 7.3 ptmm? -65.21 -8.1 15.87 Favored 'General case' 0 C--N 1.332 -0.195 0 C-N-CA 124.27 1.028 . . . . 0.0 112.291 179.755 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 47.7 p -94.3 -13.22 26.69 Favored 'General case' 0 C--N 1.333 -0.124 0 C-N-CA 123.631 0.772 . . . . 0.0 110.498 176.149 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 42.8 m-20 -100.65 -35.06 9.62 Favored 'General case' 0 N--CA 1.452 -0.334 0 C-N-CA 124.491 1.117 . . . . 0.0 110.785 178.314 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 93.2 t -65.3 -31.71 55.06 Favored 'Isoleucine or valine' 0 N--CA 1.456 -0.152 0 N-CA-C 109.235 -0.654 . . . . 0.0 109.235 179.541 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 26.5 pt-20 -80.67 9.28 6.38 Favored 'General case' 0 CA--C 1.531 0.219 0 C-N-CA 122.33 0.252 . . . . 0.0 111.652 178.061 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -127.4 -7.1 5.82 Favored 'General case' 0 CA--C 1.532 0.258 0 C-N-CA 123.474 0.71 . . . . 0.0 111.049 176.143 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 74.4 mt -111.48 -27.76 2.74 Favored 'Isoleucine or valine' 0 C--N 1.34 0.178 0 C-N-CA 123.047 0.539 . . . . 0.0 110.501 178.901 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 37' ' ' PHE . . . . . . . . . . . . . 65.2 m-85 -104.24 -5.62 21.71 Favored 'General case' 0 N--CA 1.454 -0.234 0 C-N-CA 122.76 0.424 . . . . 0.0 110.988 179.513 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 68.5 p -76.68 -14.32 59.97 Favored 'General case' 0 CA--C 1.53 0.178 0 C-N-CA 122.684 0.394 . . . . 0.0 111.611 179.855 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 13.1 ptmm? -82.51 -10.91 58.81 Favored 'General case' 0 CA--C 1.528 0.121 0 C-N-CA 123.078 0.551 . . . . 0.0 112.119 178.813 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 40' ' ' TYR . . . . . . . . . . . . . 83.9 m-85 -106.07 -14.86 15.04 Favored 'General case' 0 C--O 1.233 0.187 0 C-N-CA 122.677 0.391 . . . . 0.0 111.41 177.556 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -176.78 164.27 33.73 Favored Glycine 0 C--N 1.335 0.491 0 N-CA-C 112.303 -0.319 . . . . 0.0 112.303 174.521 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 79.1 tttt -74.65 112.99 11.4 Favored 'General case' 0 N--CA 1.451 -0.386 0 N-CA-C 109.132 -0.692 . . . . 0.0 109.132 177.658 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 43' ' ' ILE . . . . . . . . . . . . . 76.7 mt -83.45 128.62 38.61 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.192 0 N-CA-C 109.66 -0.496 . . . . 0.0 109.66 -178.153 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 34.5 m -107.16 -8.53 10.68 Favored 'Isoleucine or valine' 0 C--O 1.23 0.051 0 C-N-CA 123.368 0.667 . . . . 0.0 110.608 178.883 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . -169.71 147.29 10.77 Favored Glycine 0 CA--C 1.527 0.791 0 N-CA-C 110.383 -1.087 . . . . 0.0 110.383 177.685 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 46' ' ' CYS . . . . . . . . . . . . . 54.1 t -152.3 144.21 23.71 Favored 'General case' 0 N--CA 1.451 -0.42 0 N-CA-C 109.668 -0.493 . . . . 0.0 109.668 178.401 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 32.5 t -151.1 134.54 16.22 Favored 'General case' 0 N--CA 1.451 -0.395 0 N-CA-C 109.615 -0.513 . . . . 0.0 109.615 177.112 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 48' ' ' VAL . . . . . . . . . . . . . 86.9 t -109.84 147.92 13.85 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.19 0 N-CA-C 109.262 -0.644 . . . . 0.0 109.262 178.223 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 49' ' ' HIS . . . . . . . . . . . . . 54.2 m-70 -134.26 -168.34 2.12 Favored 'General case' 0 N--CA 1.451 -0.423 0 N-CA-C 107.973 -1.121 . . . . 0.0 107.973 -177.353 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 98.0 mttt -86.71 118.8 26.35 Favored 'General case' 0 N--CA 1.454 -0.256 0 O-C-N 121.718 -0.613 . . . . 0.0 109.885 177.529 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 80.89 -9.52 52.16 Favored Glycine 0 CA--C 1.531 1.073 0 C-N-CA 123.636 0.636 . . . . 0.0 113.692 178.789 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 51.7 p90 -153.36 169.84 22.13 Favored 'General case' 0 N--CA 1.456 -0.174 0 CA-C-N 118.664 1.232 . . . . 0.0 111.632 179.291 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -147.98 172.21 14.57 Favored 'General case' 0 CA--C 1.531 0.24 0 C-N-CA 123.794 0.838 . . . . 0.0 110.428 177.001 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 54' ' ' PHE . . . . . . . . . . . . . 13.4 m-85 -138.93 147.31 42.13 Favored 'General case' 0 N--CA 1.454 -0.236 0 C-N-CA 123.802 0.841 . . . . 0.0 110.26 179.072 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 94.7 t -137.7 135.51 46.02 Favored 'Isoleucine or valine' 0 CA--C 1.519 -0.226 0 C-N-CA 123.887 0.875 . . . . 0.0 109.214 178.593 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 56' ' ' GLN . . . . . . . . . . . . . 66.9 tp60 -114.57 130.79 56.81 Favored 'General case' 0 N--CA 1.452 -0.37 0 N-CA-C 109.295 -0.632 . . . . 0.0 109.295 -178.666 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 57' ' ' TYR . . . . . . . . . . . . . 45.7 m-85 -111.33 173.66 6.23 Favored 'General case' 0 N--CA 1.455 -0.22 0 C-N-CA 123.385 0.674 . . . . 0.0 110.37 178.392 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 58' ' ' VAL . . . . . . . . . . . . . 62.8 t -70.5 -32.06 48.63 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.19 0 N-CA-C 110.083 -0.34 . . . . 0.0 110.083 178.438 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 59' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -154.98 166.56 33.19 Favored 'General case' 0 CA--C 1.53 0.194 0 CA-C-O 120.962 0.41 . . . . 0.0 112.093 178.86 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 77.0 tt0 -57.83 -29.69 65.14 Favored 'General case' 0 CA--C 1.529 0.172 0 C-N-CA 123.702 0.801 . . . . 0.0 112.641 -178.616 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 35.9 tpt85 -60.12 -37.5 80.23 Favored 'General case' 0 CA--C 1.528 0.123 0 CA-C-N 119.071 0.85 . . . . 0.0 110.075 179.909 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 62' ' ' ASN . . . . . . . . . . . . . 19.0 m120 -74.33 -25.09 59.33 Favored 'General case' 0 N--CA 1.452 -0.369 0 C-N-CA 120.822 -0.351 . . . . 0.0 111.104 178.871 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -76.6 -36.71 57.35 Favored 'General case' 0 N--CA 1.455 -0.224 0 N-CA-C 110.327 -0.249 . . . . 0.0 110.327 178.112 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 64' ' ' ARG . . . . . . . . . . . . . 31.6 mmt180 -69.86 -25.97 63.98 Favored 'General case' 0 N--CA 1.457 -0.078 0 C-N-CA 122.538 0.335 . . . . 0.0 110.374 178.629 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -79.29 -33.65 43.17 Favored 'General case' 0 N--CA 1.453 -0.3 0 O-C-N 122.49 -0.131 . . . . 0.0 111.083 179.225 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -80.29 -35.08 36.31 Favored 'General case' 0 N--CA 1.451 -0.392 0 O-C-N 122.092 -0.38 . . . . 0.0 111.103 179.812 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 67' ' ' VAL . . . . . . . . . . . . . 49.9 t -66.59 -33.56 64.29 Favored 'Isoleucine or valine' 0 N--CA 1.456 -0.156 0 N-CA-C 110.0 -0.37 . . . . 0.0 110.0 176.154 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -90.44 -9.46 47.39 Favored 'General case' 0 N--CA 1.453 -0.307 0 O-C-N 122.212 -0.305 . . . . 0.0 111.795 178.224 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . -105.04 -11.69 29.34 Favored Glycine 0 CA--C 1.531 1.073 0 CA-C-O 119.065 -0.853 . . . . 0.0 113.792 -177.256 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 28.3 mm-40 -135.33 -20.59 1.62 Allowed 'General case' 0 CA--C 1.53 0.185 0 CA-C-N 118.735 1.267 . . . . 0.0 112.554 -174.544 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 22.8 t0 -61.88 116.85 5.2 Favored 'General case' 0 N--CA 1.455 -0.2 0 O-C-N 120.909 -1.119 . . . . 0.0 109.974 178.992 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . 88.33 9.91 69.09 Favored Glycine 0 C--N 1.34 0.794 0 N-CA-C 111.141 -0.783 . . . . 0.0 111.141 179.837 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 73' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -76.29 169.51 18.09 Favored 'General case' 0 N--CA 1.452 -0.353 0 N-CA-C 106.381 -1.711 . . . . 0.0 106.381 172.133 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 74' ' ' MET . . . . . . . . . . . . . 31.5 ttm -114.72 121.03 42.09 Favored 'General case' 0 N--CA 1.45 -0.471 0 N-CA-C 109.245 -0.65 . . . . 0.0 109.245 -177.116 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 75' ' ' ILE . . . . . . . . . . . . . 0.2 OUTLIER -128.29 136.89 58.92 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.239 0 CA-C-N 115.983 -0.553 . . . . 0.0 109.979 179.621 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . 54.27 19.11 2.07 Favored 'General case' 0 CA--C 1.532 0.274 0 C-N-CA 123.097 0.559 . . . . 0.0 111.916 -173.666 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 88.05 5.07 77.45 Favored Glycine 0 CA--C 1.527 0.834 0 CA-C-O 119.835 -0.425 . . . . 0.0 112.099 -179.325 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 78' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -125.97 134.54 51.48 Favored 'General case' 0 CA--C 1.534 0.364 0 CA-C-N 117.841 0.82 . . . . 0.0 110.812 -179.397 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 79' ' ' VAL . . . . . . . . . . . . . 65.6 t -63.22 141.42 18.15 Favored 'Isoleucine or valine' 0 C--O 1.228 -0.069 0 C-N-CA 124.715 1.206 . . . . 0.0 110.884 -178.833 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 29.9 mt -97.5 157.23 16.12 Favored 'General case' 0 C--N 1.333 -0.151 0 CA-C-O 120.709 0.29 . . . . 0.0 111.54 176.064 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 81' ' ' ASP . . . . . . . . . . . . . 31.0 t70 -123.04 103.77 8.8 Favored 'General case' 0 N--CA 1.452 -0.365 0 N-CA-C 107.971 -1.122 . . . . 0.0 107.971 174.474 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 82' ' ' ILE . . . . . . . . . . . . . 64.0 mt -119.85 139.85 45.79 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.181 0 CA-C-N 116.381 -0.372 . . . . 0.0 110.511 -170.007 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 83' ' ' ASN . . . . . . . . . . . . . 1.6 p-10 -161.33 170.45 20.11 Favored 'General case' 0 CA--C 1.527 0.084 0 C-N-CA 123.543 0.737 . . . . 0.0 110.343 179.674 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 84' ' ' LEU . . . . . . . . . . . . . 3.2 mm? -61.2 149.62 37.02 Favored 'General case' 0 C--O 1.227 -0.115 0 N-CA-C 108.977 -0.749 . . . . 0.0 108.977 176.025 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.534 0.333 0 N-CA-C 111.92 0.341 . . . . 0.0 111.92 178.147 . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' A' A ' 98' ' ' LYS . . . . . . . . . . . . . 61.1 mttm . . . . . 0 C--O 1.231 0.11 0 N-CA-C 112.044 0.387 . . . . 0.0 112.044 . . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' A' A ' 99' ' ' ARG . . . . . . . . . . . . . 2.1 mpp_? -117.9 170.94 8.41 Favored 'General case' 0 N--CA 1.457 -0.107 0 C-N-CA 124.847 1.259 . . . . 0.0 109.388 178.435 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 9.1 t -72.03 -12.64 61.32 Favored 'General case' 0 N--CA 1.455 -0.22 0 CA-C-N 116.403 -0.362 . . . . 0.0 110.981 178.909 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 101' ' ' ALA . . . . . . . . . . . . . . . 55.71 9.01 0.37 Allowed 'General case' 0 CA--C 1.534 0.346 0 C-N-CA 124.483 1.113 . . . . 0.0 113.128 -174.911 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -147.87 6.59 0.81 Allowed 'General case' 0 CA--C 1.533 0.311 0 C-N-CA 123.449 0.7 . . . . 0.0 111.367 179.022 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 12.1 pt-20 -74.6 -7.55 53.53 Favored 'General case' 0 CA--C 1.527 0.089 0 O-C-N 122.141 -0.35 . . . . 0.0 111.913 -176.581 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 104' ' ' MET . . . . . . . . . . . . . 3.9 mpp? -91.61 2.16 56.65 Favored 'General case' 0 N--CA 1.453 -0.294 0 C-N-CA 122.978 0.511 . . . . 0.0 110.819 177.034 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 105' ' ' TYR . . . . . . . . . . . . . 31.7 m-85 -133.76 4.51 3.59 Favored 'General case' 0 CA--C 1.532 0.255 0 C-N-CA 123.133 0.573 . . . . 0.0 111.572 -176.282 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 106' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.525 0.664 0 N-CA-C 111.353 -0.699 . . . . 0.0 111.353 -179.82 . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' A' A ' 4' ' ' ASN . . . . . . . . . . . . . 53.3 p-10 . . . . . 0 CA--C 1.531 0.217 0 N-CA-C 112.006 0.373 . . . . 0.0 112.006 . . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 94.7 t -96.51 131.61 42.87 Favored 'Isoleucine or valine' 0 N--CA 1.456 -0.163 0 C-N-CA 122.987 0.515 . . . . 0.0 110.745 -177.864 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 40.0 p -146.54 12.01 1.15 Allowed 'General case' 0 CA--C 1.529 0.162 0 C-N-CA 123.315 0.646 . . . . 0.0 111.714 179.325 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 7' ' ' ASN . . . . . . . . . . . . . 62.2 t-20 . . . . . 0 C--O 1.231 0.121 0 CA-C-N 119.137 0.88 . . . . 0.0 111.764 -177.865 . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 14.9 m . . . . . 0 CA--C 1.529 0.168 0 N-CA-C 110.64 -0.133 . . . . 0.0 110.64 . . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 35.5 ttm180 -111.96 155.82 23.11 Favored 'General case' 0 N--CA 1.456 -0.146 0 C-N-CA 124.472 1.109 . . . . 0.0 110.163 -176.164 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 75.0 t -131.59 133.13 62.02 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.214 0 N-CA-C 109.949 -0.389 . . . . 0.0 109.949 177.155 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 35.6 t80 -94.12 135.63 35.28 Favored 'General case' 0 N--CA 1.45 -0.443 0 N-CA-C 108.949 -0.76 . . . . 0.0 108.949 175.443 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 59.3 mt -122.45 82.44 0.76 Allowed 'Isoleucine or valine' 0 N--CA 1.457 -0.1 0 N-CA-C 107.897 -1.149 . . . . 0.0 107.897 -179.376 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -84.48 175.18 50.83 Favored Glycine 0 CA--C 1.521 0.436 0 N-CA-C 110.759 -0.936 . . . . 0.0 110.759 178.796 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 61.3 t30 48.62 46.37 21.2 Favored 'General case' 0 CA--C 1.531 0.221 0 C-N-CA 122.708 0.403 . . . . 0.0 110.771 -178.057 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 59.4 tp -98.79 144.77 27.65 Favored 'General case' 0 N--CA 1.454 -0.236 0 C-N-CA 123.114 0.566 . . . . 0.0 109.627 179.244 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 63.8 t30 -67.91 -39.15 83.6 Favored 'General case' 0 CA--C 1.528 0.13 0 C-N-CA 120.964 -0.294 . . . . 0.0 111.075 -178.112 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 35.8 p 54.14 4.86 0.06 Allowed 'General case' 0 N--CA 1.467 0.385 0 C-N-CA 126.19 1.796 . . . . 0.0 115.287 179.527 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 7.3 mp -98.87 -15.05 19.34 Favored 'General case' 0 CA--C 1.53 0.209 0 C-N-CA 123.353 0.661 . . . . 0.0 111.383 177.256 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 62.5 t -126.33 -23.71 1.79 Allowed 'Isoleucine or valine' 0 CA--C 1.528 0.11 0 C-N-CA 122.526 0.331 . . . . 0.0 110.587 179.443 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 49.7 t -102.96 145.65 11.98 Favored 'Isoleucine or valine' 0 N--CA 1.462 0.136 0 N-CA-C 110.084 -0.339 . . . . 0.0 110.084 178.515 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 8.0 mptt -135.49 172.26 13.27 Favored 'General case' 0 N--CA 1.457 -0.095 0 C-N-CA 123.304 0.642 . . . . 0.0 110.143 -178.308 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 9.5 ptmt -67.27 -4.52 10.88 Favored 'General case' 0 CA--C 1.528 0.111 0 C-N-CA 123.584 0.754 . . . . 0.0 112.125 178.159 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 32.2 m -98.76 0.61 44.81 Favored 'General case' 0 CA--C 1.531 0.216 0 C-N-CA 123.377 0.671 . . . . 0.0 110.749 173.979 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 20.0 m-20 -117.06 -32.86 4.9 Favored 'General case' 0 N--CA 1.452 -0.365 0 C-N-CA 123.897 0.879 . . . . 0.0 110.925 179.906 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 77.5 t -62.59 -31.94 53.73 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.175 0 N-CA-C 109.375 -0.602 . . . . 0.0 109.375 177.511 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 24.1 pt-20 -77.76 5.43 9.45 Favored 'General case' 0 CA--C 1.531 0.249 0 N-CA-C 112.179 0.437 . . . . 0.0 112.179 178.635 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -125.19 -8.29 7.07 Favored 'General case' 0 N--CA 1.455 -0.201 0 C-N-CA 122.815 0.446 . . . . 0.0 111.183 177.223 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 81.1 mt -108.75 -27.64 2.9 Favored 'Isoleucine or valine' 0 CA--C 1.527 0.085 0 C-N-CA 123.276 0.63 . . . . 0.0 110.942 179.756 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 37' ' ' PHE . . . . . . . . . . . . . 62.6 m-85 -104.12 -9.69 18.54 Favored 'General case' 0 N--CA 1.453 -0.312 0 C-N-CA 122.535 0.334 . . . . 0.0 110.841 179.915 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 23.3 t -75.13 -8.17 55.82 Favored 'General case' 0 CA--C 1.528 0.134 0 O-C-N 121.995 -0.44 . . . . 0.0 111.119 -178.63 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 13.1 ptmm? -85.07 -11.29 55.62 Favored 'General case' 0 CA--C 1.528 0.103 0 C-N-CA 122.779 0.432 . . . . 0.0 112.011 178.25 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 40' ' ' TYR . . . . . . . . . . . . . 67.9 m-85 -105.83 -15.5 14.92 Favored 'General case' 0 C--N 1.34 0.162 0 C-N-CA 122.518 0.327 . . . . 0.0 111.46 178.495 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -176.33 162.61 31.44 Favored Glycine 0 C--N 1.333 0.413 0 N-CA-C 111.317 -0.713 . . . . 0.0 111.317 174.737 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 56.0 tttp -72.99 114.95 11.71 Favored 'General case' 0 N--CA 1.451 -0.42 0 N-CA-C 108.644 -0.872 . . . . 0.0 108.644 178.225 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 43' ' ' ILE . . . . . . . . . . . . . 70.2 mt -82.55 130.37 35.88 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.301 0 N-CA-C 109.765 -0.457 . . . . 0.0 109.765 -179.001 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 32.5 m -108.96 -5.66 10.89 Favored 'Isoleucine or valine' 0 N--CA 1.458 -0.072 0 C-N-CA 123.201 0.6 . . . . 0.0 110.653 178.823 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . -171.09 145.66 9.07 Favored Glycine 0 CA--C 1.524 0.654 0 N-CA-C 109.824 -1.31 . . . . 0.0 109.824 177.466 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 46' ' ' CYS . . . . . . . . . . . . . 24.9 p -148.63 152.88 37.5 Favored 'General case' 0 N--CA 1.452 -0.353 0 CA-C-N 116.976 0.388 . . . . 0.0 110.057 -179.55 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 20.2 t -159.85 151.89 20.55 Favored 'General case' 0 N--CA 1.452 -0.329 0 CA-C-O 120.692 0.282 . . . . 0.0 110.417 176.218 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 48' ' ' VAL . . . . . . . . . . . . . 94.5 t -128.6 146.32 34.18 Favored 'Isoleucine or valine' 0 CA--C 1.522 -0.128 0 C-N-CA 123.4 0.68 . . . . 0.0 109.203 176.205 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 49' ' ' HIS . . . . . . . . . . . . . 53.0 m-70 -134.31 -163.98 1.44 Allowed 'General case' 0 N--CA 1.449 -0.489 0 C-N-CA 124.399 1.08 . . . . 0.0 108.13 -176.295 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 65.5 mttp -90.7 116.95 28.96 Favored 'General case' 0 N--CA 1.454 -0.261 0 N-CA-C 109.631 -0.507 . . . . 0.0 109.631 177.139 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 81.27 -9.32 54.99 Favored Glycine 0 CA--C 1.531 1.033 0 CA-C-O 119.292 -0.727 . . . . 0.0 113.531 178.548 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 46.4 p90 -150.53 170.16 19.79 Favored 'General case' 0 CA--C 1.528 0.115 0 CA-C-N 118.783 1.291 . . . . 0.0 111.661 178.149 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -148.01 172.86 13.56 Favored 'General case' 0 N--CA 1.453 -0.276 0 C-N-CA 123.95 0.9 . . . . 0.0 110.12 175.324 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 54' ' ' PHE . . . . . . . . . . . . . 13.6 m-85 -140.1 149.3 42.91 Favored 'General case' 0 N--CA 1.454 -0.237 0 C-N-CA 123.539 0.736 . . . . 0.0 110.909 -179.319 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 90.0 t -137.67 146.92 26.73 Favored 'Isoleucine or valine' 0 CA--C 1.519 -0.248 0 C-N-CA 124.084 0.954 . . . . 0.0 109.092 177.448 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 56' ' ' GLN . . . . . . . . . . . . . 68.3 tp60 -126.77 133.67 50.78 Favored 'General case' 0 N--CA 1.447 -0.62 0 N-CA-C 109.241 -0.651 . . . . 0.0 109.241 179.989 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 57' ' ' TYR . . . . . 0.432 ' HH ' ' CB ' ' A' ' 66' ' ' ALA . 52.4 m-85 -115.94 175.02 5.73 Favored 'General case' 0 N--CA 1.454 -0.269 0 C-N-CA 123.43 0.692 . . . . 0.0 110.62 -179.506 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 58' ' ' VAL . . . . . . . . . . . . . 74.9 t -69.39 -31.62 50.13 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.217 0 CA-C-N 116.236 -0.438 . . . . 0.0 109.933 177.82 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 59' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -155.61 166.97 31.91 Favored 'General case' 0 N--CA 1.452 -0.359 0 N-CA-C 112.167 0.432 . . . . 0.0 112.167 178.519 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 86.0 tt0 -57.47 -30.67 65.24 Favored 'General case' 0 CA--C 1.53 0.179 0 C-N-CA 123.905 0.882 . . . . 0.0 112.703 -179.216 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 26.8 tpt180 -59.2 -39.29 82.15 Favored 'General case' 0 N--CA 1.461 0.094 0 CA-C-N 119.307 0.958 . . . . 0.0 109.666 179.556 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 62' ' ' ASN . . . . . . . . . . . . . 19.7 m120 -71.48 -24.43 61.99 Favored 'General case' 0 N--CA 1.45 -0.429 0 C-N-CA 120.599 -0.441 . . . . 0.0 111.025 -179.747 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -75.07 -38.49 61.28 Favored 'General case' 0 N--CA 1.454 -0.255 0 N-CA-C 110.191 -0.3 . . . . 0.0 110.191 177.55 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 64' ' ' ARG . . . . . . . . . . . . . 36.1 mmt180 -69.19 -25.0 64.12 Favored 'General case' 0 CA--C 1.528 0.133 0 N-CA-C 110.397 -0.223 . . . . 0.0 110.397 179.25 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -80.67 -32.88 35.89 Favored 'General case' 0 N--CA 1.454 -0.262 0 O-C-N 122.519 -0.113 . . . . 0.0 110.933 -179.548 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 66' ' ' ALA . . . . . 0.432 ' CB ' ' HH ' ' A' ' 57' ' ' TYR . . . -81.72 -34.37 30.58 Favored 'General case' 0 N--CA 1.453 -0.31 0 O-C-N 122.164 -0.335 . . . . 0.0 111.022 179.089 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 67' ' ' VAL . . . . . . . . . . . . . 45.6 t -64.87 -34.84 73.05 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.203 0 N-CA-C 109.96 -0.385 . . . . 0.0 109.96 175.05 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -90.41 -10.02 45.4 Favored 'General case' 0 CA--C 1.532 0.277 0 N-CA-C 111.867 0.321 . . . . 0.0 111.867 178.794 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . -101.71 -14.3 29.93 Favored Glycine 0 CA--C 1.53 1.019 0 CA-C-O 119.181 -0.788 . . . . 0.0 113.814 -177.418 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 41.8 mm-40 -133.62 -19.85 2.08 Favored 'General case' 0 C--N 1.34 0.185 0 CA-C-N 118.721 1.261 . . . . 0.0 112.603 -173.467 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 21.5 t0 -61.96 116.69 5.1 Favored 'General case' 0 N--CA 1.456 -0.173 0 O-C-N 121.381 -0.825 . . . . 0.0 110.011 179.052 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . 89.32 9.7 66.78 Favored Glycine 0 C--N 1.338 0.66 0 N-CA-C 111.252 -0.739 . . . . 0.0 111.252 -179.92 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 73' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -75.91 168.97 19.05 Favored 'General case' 0 N--CA 1.452 -0.356 0 N-CA-C 106.493 -1.669 . . . . 0.0 106.493 171.976 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 74' ' ' MET . . . . . . . . . . . . . 34.7 ttm -114.78 122.85 47.64 Favored 'General case' 0 N--CA 1.448 -0.536 0 N-CA-C 109.227 -0.657 . . . . 0.0 109.227 -176.93 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 75' ' ' ILE . . . . . . . . . . . . . 0.2 OUTLIER -130.44 135.95 59.5 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.393 0 N-CA-C 109.368 -0.604 . . . . 0.0 109.368 179.839 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . 54.8 17.33 1.72 Allowed 'General case' 0 CA--C 1.533 0.308 0 C-N-CA 122.977 0.511 . . . . 0.0 112.296 -174.595 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 89.54 4.9 72.72 Favored Glycine 0 CA--C 1.527 0.789 0 CA-C-O 119.644 -0.531 . . . . 0.0 111.962 -179.388 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 78' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -124.92 131.37 53.44 Favored 'General case' 0 N--CA 1.451 -0.38 0 CA-C-N 117.883 0.842 . . . . 0.0 110.255 -179.38 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 79' ' ' VAL . . . . . . . . . . . . . 47.5 t -63.12 139.81 20.65 Favored 'Isoleucine or valine' 0 CA--C 1.523 -0.086 0 C-N-CA 124.296 1.038 . . . . 0.0 110.144 -179.212 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 31.2 mt -93.62 156.72 16.55 Favored 'General case' 0 C--O 1.232 0.153 0 CA-C-O 120.691 0.282 . . . . 0.0 110.836 177.17 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 81' ' ' ASP . . . . . . . . . . . . . 33.4 t70 -123.6 102.55 7.92 Favored 'General case' 0 N--CA 1.451 -0.376 0 N-CA-C 108.221 -1.029 . . . . 0.0 108.221 174.338 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 82' ' ' ILE . . . . . . . . . . . . . 61.0 mt -117.48 138.75 47.14 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.285 0 C-N-CA 123.255 0.622 . . . . 0.0 110.397 -169.917 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 83' ' ' ASN . . . . . . . . . . . . . 2.1 p-10 -156.85 164.83 37.63 Favored 'General case' 0 N--CA 1.455 -0.219 0 CA-C-O 121.135 0.493 . . . . 0.0 111.192 179.273 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 84' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -58.99 132.05 52.87 Favored 'General case' 0 N--CA 1.452 -0.334 0 N-CA-C 108.425 -0.954 . . . . 0.0 108.425 174.924 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.532 0.288 0 N-CA-C 114.264 1.209 . . . . 0.0 114.264 -175.002 . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' A' A ' 98' ' ' LYS . . . . . . . . . . . . . 35.8 mmtp . . . . . 0 CA--C 1.529 0.154 0 N-CA-C 111.955 0.354 . . . . 0.0 111.955 . . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' A' A ' 99' ' ' ARG . . . . . . . . . . . . . 39.1 ptt180 -141.6 169.57 17.35 Favored 'General case' 0 N--CA 1.454 -0.263 0 C-N-CA 123.66 0.784 . . . . 0.0 110.66 -178.865 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 57.9 m -70.33 -12.42 61.57 Favored 'General case' 0 N--CA 1.456 -0.15 0 C-N-CA 122.579 0.351 . . . . 0.0 111.497 178.249 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 101' ' ' ALA . . . . . . . . . . . . . . . 52.7 12.0 0.23 Allowed 'General case' 0 CA--C 1.533 0.307 0 C-N-CA 124.683 1.193 . . . . 0.0 113.08 -175.66 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -146.92 8.42 0.96 Allowed 'General case' 0 CA--C 1.533 0.289 0 C-N-CA 123.679 0.792 . . . . 0.0 111.195 -179.151 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 12.0 pt-20 -78.17 -1.92 35.07 Favored 'General case' 0 CA--C 1.53 0.199 0 C-N-CA 123.234 0.614 . . . . 0.0 112.229 -177.228 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 104' ' ' MET . . . . . . . . . . . . . 24.7 ptp -125.81 8.49 7.51 Favored 'General case' 0 N--CA 1.453 -0.307 0 C-N-CA 123.372 0.669 . . . . 0.0 112.267 -178.65 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 105' ' ' TYR . . . . . . . . . . . . . 35.6 m-85 -126.06 -7.03 6.59 Favored 'General case' 0 CA--C 1.53 0.193 0 C-N-CA 122.961 0.504 . . . . 0.0 111.095 178.94 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 106' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.526 0.721 0 N-CA-C 111.267 -0.733 . . . . 0.0 111.267 179.716 . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' A' A ' 4' ' ' ASN . . . . . . . . . . . . . 3.0 p-10 . . . . . 0 CA--C 1.53 0.207 0 N-CA-C 111.112 0.042 . . . . 0.0 111.112 . . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 99.2 t -97.22 136.46 27.92 Favored 'Isoleucine or valine' 0 C--O 1.232 0.144 0 C-N-CA 123.101 0.561 . . . . 0.0 111.136 -176.933 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 46.2 p -146.35 3.43 0.89 Allowed 'General case' 0 C--O 1.227 -0.112 0 C-N-CA 123.497 0.719 . . . . 0.0 112.028 -179.744 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 7' ' ' ASN . . . . . . . . . . . . . 62.4 t-20 . . . . . 0 N--CA 1.455 -0.197 0 CA-C-N 119.251 0.932 . . . . 0.0 110.514 -178.33 . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 93.6 p . . . . . 0 N--CA 1.456 -0.171 0 N-CA-C 110.469 -0.197 . . . . 0.0 110.469 . . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 30.6 ttp-105 -93.12 150.07 20.78 Favored 'General case' 0 N--CA 1.452 -0.353 0 N-CA-C 109.623 -0.51 . . . . 0.0 109.623 176.315 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 94.5 t -125.82 128.84 72.41 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.435 0 C-N-CA 123.117 0.567 . . . . 0.0 109.567 178.228 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 27.8 t80 -89.03 133.74 34.23 Favored 'General case' 0 N--CA 1.449 -0.49 0 CA-C-N 115.174 -0.921 . . . . 0.0 108.985 175.76 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 63.0 mt -121.09 84.42 0.85 Allowed 'Isoleucine or valine' 0 N--CA 1.454 -0.227 0 N-CA-C 107.823 -1.177 . . . . 0.0 107.823 -179.335 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -83.99 173.76 50.72 Favored Glycine 0 CA--C 1.523 0.555 0 N-CA-C 110.912 -0.875 . . . . 0.0 110.912 178.497 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 58.3 t30 48.73 47.91 20.53 Favored 'General case' 0 CA--C 1.532 0.268 0 C-N-CA 123.433 0.693 . . . . 0.0 110.693 -178.571 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 57.3 tp -99.03 144.85 27.71 Favored 'General case' 0 CA--C 1.531 0.24 0 N-CA-C 109.285 -0.635 . . . . 0.0 109.285 179.842 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 63.6 t30 -68.71 -37.51 79.56 Favored 'General case' 0 CA--C 1.53 0.204 0 O-C-N 122.104 -0.373 . . . . 0.0 111.166 -177.315 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 48.7 p 51.44 8.12 0.05 OUTLIER 'General case' 0 N--CA 1.465 0.29 0 C-N-CA 126.415 1.886 . . . . 0.0 115.237 179.326 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 6.7 mp -101.4 -14.95 17.36 Favored 'General case' 0 CA--C 1.53 0.206 0 C-N-CA 123.439 0.696 . . . . 0.0 111.288 176.668 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 61.8 t -126.78 -23.65 1.71 Allowed 'Isoleucine or valine' 0 C--O 1.231 0.079 0 C-N-CA 122.833 0.453 . . . . 0.0 110.571 179.423 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 61.0 t -103.4 146.06 11.64 Favored 'Isoleucine or valine' 0 N--CA 1.462 0.175 0 N-CA-C 110.146 -0.316 . . . . 0.0 110.146 178.976 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 8.1 mptt -135.28 171.62 14.17 Favored 'General case' 0 C--N 1.338 0.098 0 C-N-CA 123.449 0.7 . . . . 0.0 110.297 -178.678 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 10.5 ptmt -67.07 -4.39 9.83 Favored 'General case' 0 CA--C 1.528 0.113 0 C-N-CA 123.926 0.891 . . . . 0.0 112.255 -179.95 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 60.3 p -97.21 -11.95 23.6 Favored 'General case' 0 CA--C 1.528 0.118 0 C-N-CA 123.728 0.811 . . . . 0.0 111.081 174.616 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 42.9 m-20 -103.1 -34.41 8.88 Favored 'General case' 0 N--CA 1.453 -0.294 0 C-N-CA 124.298 1.039 . . . . 0.0 111.227 179.7 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 90.5 t -65.38 -31.27 53.13 Favored 'Isoleucine or valine' 0 N--CA 1.456 -0.161 0 N-CA-C 109.325 -0.62 . . . . 0.0 109.325 -179.926 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 25.2 pt-20 -78.54 7.32 6.91 Favored 'General case' 0 CA--C 1.531 0.212 0 N-CA-C 111.89 0.33 . . . . 0.0 111.89 177.656 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -126.34 -7.33 6.42 Favored 'General case' 0 N--CA 1.454 -0.234 0 C-N-CA 123.045 0.538 . . . . 0.0 110.963 176.565 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 76.8 mt -108.58 -26.31 3.3 Favored 'Isoleucine or valine' 0 C--N 1.339 0.128 0 C-N-CA 123.221 0.608 . . . . 0.0 110.793 178.406 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 37' ' ' PHE . . . . . . . . . . . . . 60.9 m-85 -104.86 -8.4 18.72 Favored 'General case' 0 N--CA 1.454 -0.256 0 C-N-CA 122.449 0.299 . . . . 0.0 110.726 -179.858 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 73.4 p -72.57 -14.06 61.54 Favored 'General case' 0 CA--C 1.527 0.063 0 C-N-CA 122.562 0.345 . . . . 0.0 111.298 -179.025 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 13.4 ptmm? -80.94 -11.71 59.52 Favored 'General case' 0 CA--C 1.531 0.238 0 C-N-CA 123.567 0.747 . . . . 0.0 112.343 179.253 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 40' ' ' TYR . . . . . . . . . . . . . 65.9 m-85 -107.22 -16.05 14.5 Favored 'General case' 0 C--N 1.338 0.106 0 C-N-CA 122.172 0.189 . . . . 0.0 111.33 178.721 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -174.9 160.89 30.14 Favored Glycine 0 C--N 1.336 0.53 0 N-CA-C 111.966 -0.454 . . . . 0.0 111.966 175.45 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 77.1 tttt -71.44 115.12 10.24 Favored 'General case' 0 N--CA 1.45 -0.452 0 N-CA-C 108.804 -0.813 . . . . 0.0 108.804 177.612 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 43' ' ' ILE . . . . . . . . . . . . . 76.1 mt -84.56 126.71 40.25 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.344 0 N-CA-C 109.856 -0.424 . . . . 0.0 109.856 -178.616 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 33.9 m -104.05 -7.08 9.54 Favored 'Isoleucine or valine' 0 N--CA 1.458 -0.054 0 C-N-CA 123.191 0.596 . . . . 0.0 110.9 178.701 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . -172.92 147.5 9.77 Favored Glycine 0 C--N 1.335 0.514 0 N-CA-C 110.191 -1.164 . . . . 0.0 110.191 177.422 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 46' ' ' CYS . . . . . . . . . . . . . 51.7 t -151.9 146.26 25.51 Favored 'General case' 0 N--CA 1.45 -0.438 0 O-C-N 122.418 -0.46 . . . . 0.0 110.108 -179.64 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 22.7 t -153.5 149.35 27.62 Favored 'General case' 0 N--CA 1.451 -0.392 0 N-CA-C 109.806 -0.442 . . . . 0.0 109.806 176.39 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 48' ' ' VAL . . . . . . . . . . . . . 91.6 t -124.21 146.66 29.35 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.26 0 N-CA-C 109.006 -0.738 . . . . 0.0 109.006 178.119 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 49' ' ' HIS . . . . . . . . . . . . . 50.8 m-70 -131.77 -166.2 1.69 Allowed 'General case' 0 N--CA 1.452 -0.373 0 N-CA-C 108.014 -1.106 . . . . 0.0 108.014 -176.383 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 65.4 mttp -88.64 118.17 28.12 Favored 'General case' 0 N--CA 1.455 -0.224 0 N-CA-C 109.661 -0.496 . . . . 0.0 109.661 176.433 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 80.79 -7.8 57.83 Favored Glycine 0 CA--C 1.528 0.897 0 CA-C-O 119.094 -0.837 . . . . 0.0 113.9 178.283 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 52.0 p90 -154.15 170.22 21.7 Favored 'General case' 0 CA--C 1.531 0.231 0 CA-C-N 118.925 1.363 . . . . 0.0 111.375 179.076 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -149.13 172.58 14.56 Favored 'General case' 0 N--CA 1.453 -0.276 0 C-N-CA 123.556 0.743 . . . . 0.0 110.37 177.474 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 54' ' ' PHE . . . . . . . . . . . . . 11.5 m-85 -140.06 145.3 37.51 Favored 'General case' 0 N--CA 1.455 -0.211 0 C-N-CA 123.529 0.731 . . . . 0.0 110.456 179.617 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 96.2 t -136.43 138.23 46.99 Favored 'Isoleucine or valine' 0 CA--C 1.519 -0.237 0 C-N-CA 123.759 0.823 . . . . 0.0 108.787 178.622 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 56' ' ' GLN . . . . . . . . . . . . . 58.3 tp60 -117.79 130.51 56.33 Favored 'General case' 0 N--CA 1.453 -0.283 0 N-CA-C 109.576 -0.527 . . . . 0.0 109.576 -176.747 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 57' ' ' TYR . . . . . 0.479 ' HH ' ' CB ' ' A' ' 66' ' ' ALA . 42.8 m-85 -111.75 178.4 4.33 Favored 'General case' 0 N--CA 1.457 -0.123 0 C-N-CA 123.196 0.598 . . . . 0.0 110.687 178.855 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 58' ' ' VAL . . . . . . . . . . . . . 73.3 t -74.8 -31.51 26.33 Favored 'Isoleucine or valine' 0 N--CA 1.456 -0.149 0 CA-C-N 116.479 -0.328 . . . . 0.0 110.643 178.537 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 59' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -154.82 170.59 21.3 Favored 'General case' 0 CA--C 1.53 0.203 0 N-CA-C 112.411 0.523 . . . . 0.0 112.411 178.528 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 71.0 tt0 -60.9 -29.68 69.73 Favored 'General case' 0 CA--C 1.529 0.167 0 C-N-CA 123.021 0.528 . . . . 0.0 111.975 -177.366 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 20.3 tpp85 -60.17 -38.14 82.32 Favored 'General case' 0 C--N 1.339 0.14 0 CA-C-N 118.868 0.758 . . . . 0.0 110.082 -179.873 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 62' ' ' ASN . . . . . . . . . . . . . 19.5 m120 -71.41 -25.81 62.5 Favored 'General case' 0 N--CA 1.45 -0.45 0 O-C-N 122.11 -0.369 . . . . 0.0 110.789 179.113 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -76.28 -36.41 58.42 Favored 'General case' 0 N--CA 1.45 -0.431 0 N-CA-C 110.127 -0.323 . . . . 0.0 110.127 178.521 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 64' ' ' ARG . . . . . . . . . . . . . 28.5 mmt180 -66.86 -28.75 68.59 Favored 'General case' 0 C--O 1.227 -0.088 0 N-CA-C 110.253 -0.277 . . . . 0.0 110.253 177.838 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -78.37 -33.24 49.05 Favored 'General case' 0 N--CA 1.453 -0.278 0 O-C-N 122.525 -0.11 . . . . 0.0 110.899 -178.818 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 66' ' ' ALA . . . . . 0.479 ' CB ' ' HH ' ' A' ' 57' ' ' TYR . . . -83.41 -34.94 25.39 Favored 'General case' 0 N--CA 1.454 -0.226 0 O-C-N 122.226 -0.296 . . . . 0.0 111.635 179.908 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 67' ' ' VAL . . . . . . . . . . . . . 53.0 t -65.25 -32.51 58.58 Favored 'Isoleucine or valine' 0 C--O 1.227 -0.105 0 N-CA-C 109.774 -0.454 . . . . 0.0 109.774 175.631 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -92.91 -10.38 36.74 Favored 'General case' 0 N--CA 1.453 -0.289 0 N-CA-C 112.277 0.473 . . . . 0.0 112.277 178.13 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . -101.86 -13.58 31.54 Favored Glycine 0 CA--C 1.532 1.094 0 CA-C-O 119.346 -0.697 . . . . 0.0 113.738 -177.485 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 47.5 mm-40 -133.79 -19.58 2.05 Favored 'General case' 0 CA--C 1.53 0.177 0 CA-C-N 118.666 1.233 . . . . 0.0 112.597 -174.275 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 20.6 t70 -61.49 118.16 6.64 Favored 'General case' 0 N--CA 1.453 -0.312 0 O-C-N 121.181 -0.949 . . . . 0.0 110.113 178.305 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . 86.78 10.83 71.9 Favored Glycine 0 C--N 1.336 0.533 0 N-CA-C 110.957 -0.857 . . . . 0.0 110.957 178.97 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 73' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -75.93 169.8 17.47 Favored 'General case' 0 N--CA 1.45 -0.465 0 N-CA-C 106.276 -1.75 . . . . 0.0 106.276 171.266 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 74' ' ' MET . . . . . . . . . . . . . 33.2 ttm -114.92 120.75 40.99 Favored 'General case' 0 N--CA 1.45 -0.464 0 N-CA-C 109.403 -0.591 . . . . 0.0 109.403 -177.276 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 75' ' ' ILE . . . . . . . . . . . . . 0.2 OUTLIER -128.49 136.03 61.01 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.277 0 N-CA-C 109.645 -0.502 . . . . 0.0 109.645 179.453 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . 54.47 17.78 1.72 Allowed 'General case' 0 CA--C 1.533 0.318 0 C-N-CA 123.129 0.572 . . . . 0.0 112.185 -174.024 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 88.88 4.31 75.57 Favored Glycine 0 CA--C 1.527 0.79 0 CA-C-O 119.816 -0.436 . . . . 0.0 112.232 -179.009 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 78' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -123.98 131.59 53.59 Favored 'General case' 0 N--CA 1.452 -0.331 0 CA-C-N 117.694 0.747 . . . . 0.0 110.418 -179.357 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 79' ' ' VAL . . . . . . . . . . . . . 48.5 t -63.93 141.41 18.21 Favored 'Isoleucine or valine' 0 C--O 1.23 0.042 0 C-N-CA 124.038 0.935 . . . . 0.0 110.462 -178.901 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 29.5 mt -95.68 156.35 16.36 Favored 'General case' 0 N--CA 1.454 -0.268 0 CA-C-O 120.926 0.394 . . . . 0.0 111.587 177.143 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 81' ' ' ASP . . . . . . . . . . . . . 4.3 m-20 -123.4 98.24 5.77 Favored 'General case' 0 N--CA 1.456 -0.139 0 N-CA-C 107.875 -1.157 . . . . 0.0 107.875 176.497 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 82' ' ' ILE . . . . . . . . . . . . . 64.6 mt -113.69 139.76 37.55 Favored 'Isoleucine or valine' 0 CA--C 1.53 0.177 0 C-N-CA 123.087 0.555 . . . . 0.0 110.556 -170.056 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 83' ' ' ASN . . . . . . . . . . . . . 11.2 t30 -157.66 165.67 34.85 Favored 'General case' 0 N--CA 1.456 -0.139 0 C-N-CA 123.329 0.652 . . . . 0.0 109.541 -175.991 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 84' ' ' LEU . . . . . . . . . . . . . 97.7 mt -63.02 151.5 39.61 Favored 'General case' 0 N--CA 1.456 -0.163 0 N-CA-C 109.436 -0.579 . . . . 0.0 109.436 173.208 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.533 0.312 0 N-CA-C 113.037 0.754 . . . . 0.0 113.037 -178.375 . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' A' A ' 98' ' ' LYS . . . . . . . . . . . . . 74.5 mmtt . . . . . 0 CA--C 1.53 0.188 0 N-CA-C 111.499 0.185 . . . . 0.0 111.499 . . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' A' A ' 99' ' ' ARG . . . . . . . . . . . . . 90.1 mtt180 -113.96 173.12 6.59 Favored 'General case' 0 N--CA 1.457 -0.124 0 C-N-CA 124.023 0.929 . . . . 0.0 111.061 -179.474 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 6.3 t -67.17 -11.89 58.55 Favored 'General case' 0 N--CA 1.454 -0.263 0 C-N-CA 123.493 0.717 . . . . 0.0 111.754 -178.004 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 101' ' ' ALA . . . . . . . . . . . . . . . 56.86 10.01 0.69 Allowed 'General case' 0 CA--C 1.534 0.347 0 C-N-CA 124.363 1.065 . . . . 0.0 112.53 -174.654 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -146.22 3.82 0.92 Allowed 'General case' 0 CA--C 1.532 0.255 0 C-N-CA 123.8 0.84 . . . . 0.0 111.293 178.496 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 12.8 pt-20 -83.68 -3.71 57.99 Favored 'General case' 0 C--N 1.34 0.186 0 C-N-CA 122.622 0.369 . . . . 0.0 111.563 -177.907 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 104' ' ' MET . . . . . . . . . . . . . 73.9 mtm -110.84 9.66 22.49 Favored 'General case' 0 CA--C 1.531 0.238 0 C-N-CA 123.836 0.855 . . . . 0.0 111.481 -178.744 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 105' ' ' TYR . . . . . . . . . . . . . 65.0 m-85 -127.66 3.93 6.12 Favored 'General case' 0 C--O 1.232 0.134 0 C-N-CA 122.84 0.456 . . . . 0.0 111.461 -177.598 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 106' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--N 1.338 0.682 0 N-CA-C 111.253 -0.739 . . . . 0.0 111.253 179.885 . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' A' A ' 4' ' ' ASN . . . . . . . . . . . . . 61.9 t30 . . . . . 0 CA--C 1.533 0.323 0 CA-C-O 120.546 0.213 . . . . 0.0 111.279 . . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 97.0 t -93.71 134.3 31.85 Favored 'Isoleucine or valine' 0 N--CA 1.456 -0.16 0 O-C-N 122.115 -0.365 . . . . 0.0 111.489 -175.5 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 72.2 p -150.84 6.02 0.51 Allowed 'General case' 0 CA--C 1.533 0.322 0 C-N-CA 123.64 0.776 . . . . 0.0 111.959 -177.43 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 7' ' ' ASN . . . . . . . . . . . . . 42.2 p30 . . . . . 0 C--O 1.231 0.116 0 N-CA-C 114.087 1.143 . . . . 0.0 114.087 -173.216 . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 86.9 p . . . . . 0 N--CA 1.454 -0.239 0 N-CA-C 110.663 -0.125 . . . . 0.0 110.663 . . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 30.3 ttp-105 -95.97 150.31 20.6 Favored 'General case' 0 N--CA 1.455 -0.196 0 C-N-CA 123.152 0.581 . . . . 0.0 109.852 175.48 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 64.7 t -124.87 129.24 73.54 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.438 0 C-N-CA 123.119 0.567 . . . . 0.0 109.763 178.388 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 29.0 t80 -90.11 132.61 35.34 Favored 'General case' 0 N--CA 1.449 -0.482 0 N-CA-C 108.914 -0.772 . . . . 0.0 108.914 174.806 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 58.1 mt -120.84 83.46 0.79 Allowed 'Isoleucine or valine' 0 CA--C 1.52 -0.183 0 N-CA-C 107.667 -1.234 . . . . 0.0 107.667 -179.521 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -84.24 176.48 51.61 Favored Glycine 0 N--CA 1.448 -0.557 0 N-CA-C 110.423 -1.071 . . . . 0.0 110.423 178.165 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 49.1 t30 48.9 50.54 17.51 Favored 'General case' 0 N--CA 1.453 -0.323 0 N-CA-C 110.039 -0.356 . . . . 0.0 110.039 -177.692 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 50.0 tp -102.05 143.3 32.06 Favored 'General case' 0 N--CA 1.454 -0.243 0 N-CA-C 109.851 -0.426 . . . . 0.0 109.851 179.852 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 24' ' ' ASN . . . . . 0.414 ' C ' ' H ' ' A' ' 26' ' ' LEU . 64.1 t30 -70.77 -37.53 73.36 Favored 'General case' 0 C--N 1.34 0.177 0 CA-C-N 117.742 0.246 . . . . 0.0 111.653 -178.061 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 24.1 p 54.1 -2.66 0.02 OUTLIER 'General case' 0 N--CA 1.468 0.425 0 C-N-CA 127.22 2.208 . . . . 0.0 115.472 179.898 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 26' ' ' LEU . . . . . 0.414 ' H ' ' C ' ' A' ' 24' ' ' ASN . 7.3 mp -90.29 -15.99 30.16 Favored 'General case' 0 N--CA 1.453 -0.292 0 C-N-CA 123.143 0.577 . . . . 0.0 111.492 177.996 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 57.1 t -127.36 -17.66 2.64 Favored 'Isoleucine or valine' 0 CA--C 1.53 0.177 0 C-N-CA 122.667 0.387 . . . . 0.0 110.567 179.194 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 49.8 t -115.3 132.22 65.27 Favored 'Isoleucine or valine' 0 CA--C 1.521 -0.152 0 C-N-CA 122.2 0.2 . . . . 0.0 110.679 178.67 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 73.9 mmtt -123.08 176.72 5.89 Favored 'General case' 0 CA--C 1.52 -0.21 0 C-N-CA 124.018 0.927 . . . . 0.0 110.99 -176.564 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 5.3 ptmm? -69.89 -6.0 29.78 Favored 'General case' 0 N--CA 1.461 0.108 0 CA-C-N 115.207 -0.906 . . . . 0.0 111.866 -179.703 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 39.1 m -101.51 1.0 37.61 Favored 'General case' 0 N--CA 1.455 -0.176 0 C-N-CA 123.856 0.862 . . . . 0.0 110.382 174.67 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 20.8 m-20 -116.6 -32.51 5.17 Favored 'General case' 0 N--CA 1.449 -0.484 0 C-N-CA 123.769 0.828 . . . . 0.0 110.548 179.607 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 70.7 t -64.93 -31.8 55.47 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.195 0 N-CA-C 108.832 -0.803 . . . . 0.0 108.832 177.753 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 25.6 pt-20 -79.66 9.89 4.59 Favored 'General case' 0 CA--C 1.531 0.225 0 N-CA-C 111.858 0.318 . . . . 0.0 111.858 178.063 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -128.06 -7.92 5.42 Favored 'General case' 0 CA--C 1.531 0.239 0 C-N-CA 123.574 0.75 . . . . 0.0 110.891 176.406 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 75.2 mt -109.38 -26.15 3.33 Favored 'Isoleucine or valine' 0 C--N 1.338 0.107 0 C-N-CA 123.236 0.614 . . . . 0.0 110.332 178.642 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 37' ' ' PHE . . . . . . . . . . . . . 59.9 m-85 -104.1 -8.01 19.8 Favored 'General case' 0 N--CA 1.452 -0.34 0 C-N-CA 122.597 0.359 . . . . 0.0 110.865 179.661 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 67.6 p -73.12 -14.71 61.43 Favored 'General case' 0 C--O 1.231 0.113 0 C-N-CA 122.577 0.351 . . . . 0.0 111.462 -179.281 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 13.3 ptmm? -80.08 -11.71 59.74 Favored 'General case' 0 CA--C 1.528 0.12 0 C-N-CA 123.294 0.637 . . . . 0.0 112.231 179.058 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 40' ' ' TYR . . . . . . . . . . . . . 64.5 m-85 -106.98 -16.0 14.55 Favored 'General case' 0 C--O 1.231 0.081 0 C-N-CA 122.564 0.346 . . . . 0.0 111.725 178.447 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -175.26 162.75 32.46 Favored Glycine 0 CA--C 1.525 0.701 0 N-CA-C 112.111 -0.395 . . . . 0.0 112.111 175.073 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 77.1 tttt -73.16 114.5 11.41 Favored 'General case' 0 N--CA 1.454 -0.262 0 N-CA-C 108.832 -0.803 . . . . 0.0 108.832 177.373 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 43' ' ' ILE . . . . . . . . . . . . . 76.1 mt -83.88 127.97 39.27 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.192 0 N-CA-C 109.577 -0.527 . . . . 0.0 109.577 -178.651 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 33.4 m -106.56 -5.41 10.13 Favored 'Isoleucine or valine' 0 C--O 1.232 0.154 0 C-N-CA 123.215 0.606 . . . . 0.0 110.684 178.759 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . -170.51 146.23 9.64 Favored Glycine 0 C--N 1.337 0.617 0 N-CA-C 110.019 -1.232 . . . . 0.0 110.019 176.995 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 46' ' ' CYS . . . . . . . . . . . . . 43.3 t -149.7 143.36 25.42 Favored 'General case' 0 N--CA 1.451 -0.386 0 CA-C-N 117.133 0.466 . . . . 0.0 109.759 -179.706 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 96.2 p -151.13 148.17 27.95 Favored 'General case' 0 N--CA 1.45 -0.469 0 N-CA-C 109.902 -0.407 . . . . 0.0 109.902 177.441 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 48' ' ' VAL . . . . . . . . . . . . . 87.5 t -125.15 147.05 29.88 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.241 0 N-CA-C 109.165 -0.68 . . . . 0.0 109.165 175.623 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 49' ' ' HIS . . . . . . . . . . . . . 46.5 m-70 -135.34 -170.53 2.61 Favored 'General case' 0 N--CA 1.452 -0.329 0 N-CA-C 108.107 -1.072 . . . . 0.0 108.107 -176.441 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 50' ' ' LYS . . . . . 0.465 ' HD2' ' H ' ' A' ' 50' ' ' LYS . 0.0 OUTLIER -83.12 120.41 25.73 Favored 'General case' 0 N--CA 1.454 -0.252 0 O-C-N 121.822 -0.549 . . . . 0.0 110.005 177.475 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 77.44 -8.75 31.8 Favored Glycine 0 CA--C 1.531 1.052 0 CA-C-O 119.235 -0.758 . . . . 0.0 113.685 177.766 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 55.6 p90 -150.96 167.43 27.62 Favored 'General case' 0 CA--C 1.528 0.121 0 CA-C-N 119.001 1.401 . . . . 0.0 111.438 179.344 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -146.27 171.42 14.99 Favored 'General case' 0 CA--C 1.53 0.193 0 C-N-CA 123.65 0.78 . . . . 0.0 110.286 175.911 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 54' ' ' PHE . . . . . . . . . . . . . 15.0 m-85 -138.71 144.82 39.71 Favored 'General case' 0 N--CA 1.455 -0.212 0 C-N-CA 123.434 0.694 . . . . 0.0 110.586 179.725 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 97.5 t -135.72 136.73 50.07 Favored 'Isoleucine or valine' 0 CA--C 1.518 -0.25 0 C-N-CA 123.644 0.778 . . . . 0.0 109.11 178.664 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 56' ' ' GLN . . . . . . . . . . . . . 59.3 tp60 -116.42 129.98 56.52 Favored 'General case' 0 N--CA 1.451 -0.396 0 C-N-CA 122.822 0.449 . . . . 0.0 109.884 -176.739 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 57' ' ' TYR . . . . . 0.425 ' HH ' ' CB ' ' A' ' 66' ' ' ALA . 48.0 m-85 -111.62 175.96 5.21 Favored 'General case' 0 C--O 1.232 0.143 0 C-N-CA 122.963 0.505 . . . . 0.0 110.882 178.887 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 58' ' ' VAL . . . . . . . . . . . . . 77.6 t -73.08 -30.41 31.6 Favored 'Isoleucine or valine' 0 CA--C 1.529 0.16 0 CA-C-N 116.026 -0.534 . . . . 0.0 110.309 178.797 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 59' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -157.19 169.35 24.97 Favored 'General case' 0 N--CA 1.456 -0.141 0 N-CA-C 112.202 0.445 . . . . 0.0 112.202 178.053 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 66.4 tt0 -59.64 -29.89 68.34 Favored 'General case' 0 N--CA 1.457 -0.106 0 C-N-CA 123.579 0.752 . . . . 0.0 112.438 -177.902 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 25.5 tpt180 -59.12 -40.13 84.46 Favored 'General case' 0 C--N 1.339 0.131 0 CA-C-N 118.957 0.798 . . . . 0.0 110.101 179.729 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 62' ' ' ASN . . . . . . . . . . . . . 17.6 m120 -71.88 -25.5 61.96 Favored 'General case' 0 N--CA 1.449 -0.481 0 O-C-N 122.145 -0.347 . . . . 0.0 110.861 -179.891 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -78.33 -36.3 46.5 Favored 'General case' 0 N--CA 1.454 -0.252 0 N-CA-C 110.379 -0.23 . . . . 0.0 110.379 179.08 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 64' ' ' ARG . . . . . . . . . . . . . 41.0 mmt180 -67.68 -26.84 66.39 Favored 'General case' 0 CA--C 1.523 -0.065 0 C-N-CA 122.518 0.327 . . . . 0.0 110.175 176.907 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -79.19 -33.12 44.19 Favored 'General case' 0 N--CA 1.452 -0.342 0 N-CA-C 110.719 -0.104 . . . . 0.0 110.719 -179.738 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 66' ' ' ALA . . . . . 0.425 ' CB ' ' HH ' ' A' ' 57' ' ' TYR . . . -81.78 -34.78 30.19 Favored 'General case' 0 N--CA 1.451 -0.405 0 CA-C-N 117.765 0.257 . . . . 0.0 111.509 179.46 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 67' ' ' VAL . . . . . . . . . . . . . 47.7 t -64.84 -34.59 71.27 Favored 'Isoleucine or valine' 0 CA--C 1.524 -0.037 0 O-C-N 122.012 -0.43 . . . . 0.0 109.927 175.59 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -90.42 -10.58 43.3 Favored 'General case' 0 CA--C 1.53 0.179 0 N-CA-C 112.015 0.376 . . . . 0.0 112.015 178.94 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . -101.74 -14.4 29.61 Favored Glycine 0 CA--C 1.528 0.897 0 CA-C-O 119.113 -0.826 . . . . 0.0 113.646 -177.313 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 43.3 mm-40 -133.66 -19.82 2.07 Favored 'General case' 0 C--N 1.34 0.154 0 CA-C-N 118.601 1.201 . . . . 0.0 112.772 -173.6 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 22.7 t70 -61.67 118.7 7.44 Favored 'General case' 0 N--CA 1.456 -0.166 0 CA-C-N 119.187 0.903 . . . . 0.0 109.553 178.507 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . 86.08 10.8 74.29 Favored Glycine 0 C--N 1.336 0.544 0 N-CA-C 110.93 -0.868 . . . . 0.0 110.93 179.066 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 73' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -76.09 169.09 18.84 Favored 'General case' 0 N--CA 1.449 -0.499 0 N-CA-C 106.525 -1.658 . . . . 0.0 106.525 171.136 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 74' ' ' MET . . . . . . . . . . . . . 34.2 ttm -114.75 120.48 40.21 Favored 'General case' 0 N--CA 1.447 -0.576 0 N-CA-C 109.16 -0.682 . . . . 0.0 109.16 -177.253 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 75' ' ' ILE . . . . . . . . . . . . . 0.2 OUTLIER -127.23 134.92 64.86 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.419 0 N-CA-C 109.396 -0.594 . . . . 0.0 109.396 179.715 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . 54.45 18.09 1.82 Allowed 'General case' 0 CA--C 1.532 0.262 0 C-N-CA 123.389 0.676 . . . . 0.0 112.152 -174.748 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 89.88 4.2 72.68 Favored Glycine 0 CA--C 1.527 0.833 0 CA-C-O 119.811 -0.438 . . . . 0.0 112.359 -179.294 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 78' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -124.28 130.21 52.12 Favored 'General case' 0 N--CA 1.451 -0.399 0 CA-C-N 117.671 0.735 . . . . 0.0 110.086 -178.847 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 79' ' ' VAL . . . . . . . . . . . . . 46.0 t -63.19 141.51 18.03 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.176 0 C-N-CA 124.232 1.013 . . . . 0.0 110.409 -179.126 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 32.3 mt -96.6 156.23 16.43 Favored 'General case' 0 C--N 1.335 -0.065 0 CA-C-O 120.952 0.406 . . . . 0.0 111.192 177.257 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 81' ' ' ASP . . . . . . . . . . . . . 12.0 m-20 -122.1 106.18 10.94 Favored 'General case' 0 N--CA 1.455 -0.192 0 N-CA-C 107.679 -1.23 . . . . 0.0 107.679 174.128 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 82' ' ' ILE . . . . . . . . . . . . . 62.1 mt -121.54 137.65 54.48 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.175 0 C-N-CA 122.967 0.507 . . . . 0.0 110.921 -170.9 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 83' ' ' ASN . . . . . . . . . . . . . 2.3 p-10 -158.17 167.1 30.75 Favored 'General case' 0 CA--C 1.531 0.234 0 C-N-CA 124.279 1.032 . . . . 0.0 109.068 179.307 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 84' ' ' LEU . . . . . . . . . . . . . 49.8 mt -64.16 151.84 42.26 Favored 'General case' 0 CA--C 1.519 -0.229 0 O-C-N 121.857 -0.527 . . . . 0.0 109.847 176.816 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.532 0.283 0 CA-C-N 116.46 -0.336 . . . . 0.0 111.86 -179.379 . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' A' A ' 98' ' ' LYS . . . . . . . . . . . . . 91.0 mttt . . . . . 0 CA--C 1.531 0.228 0 CA-C-O 120.42 0.153 . . . . 0.0 110.746 . . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' A' A ' 99' ' ' ARG . . . . . . . . . . . . . 18.9 tpt180 -104.54 174.52 5.84 Favored 'General case' 0 CA--C 1.529 0.165 0 C-N-CA 124.412 1.085 . . . . 0.0 109.37 -179.234 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 67.8 m -61.72 -16.82 52.5 Favored 'General case' 0 CA--C 1.528 0.121 0 N-CA-C 112.334 0.494 . . . . 0.0 112.334 177.444 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 101' ' ' ALA . . . . . . . . . . . . . . . 52.5 16.16 0.59 Allowed 'General case' 0 CA--C 1.536 0.409 0 C-N-CA 124.148 0.979 . . . . 0.0 112.382 -176.62 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -147.97 14.25 1.03 Allowed 'General case' 0 N--CA 1.451 -0.389 0 C-N-CA 123.358 0.663 . . . . 0.0 111.261 -179.058 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 20.4 pt-20 -70.16 -2.08 12.03 Favored 'General case' 0 CA--C 1.531 0.227 0 N-CA-C 112.599 0.592 . . . . 0.0 112.599 -177.133 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 104' ' ' MET . . . . . . . . . . . . . 75.3 mtm -110.33 6.5 22.44 Favored 'General case' 0 CA--C 1.531 0.227 0 C-N-CA 123.806 0.842 . . . . 0.0 111.545 178.342 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 105' ' ' TYR . . . . . . . . . . . . . 48.8 m-85 -134.68 2.15 3.15 Favored 'General case' 0 CA--C 1.529 0.148 0 C-N-CA 122.795 0.438 . . . . 0.0 111.651 -177.778 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 106' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--N 1.337 0.619 0 N-CA-C 110.827 -0.909 . . . . 0.0 110.827 -179.604 . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' A' A ' 4' ' ' ASN . . . . . . . . . . . . . 2.7 p-10 . . . . . 0 CA--C 1.529 0.149 0 CA-C-O 119.872 -0.108 . . . . 0.0 111.268 . . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 91.0 t -95.51 133.01 38.09 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.213 0 C-N-CA 122.884 0.474 . . . . 0.0 110.816 -177.566 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 62.3 p -146.69 10.74 1.08 Allowed 'General case' 0 CA--C 1.53 0.205 0 C-N-CA 123.485 0.714 . . . . 0.0 112.165 179.816 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 7' ' ' ASN . . . . . . . . . . . . . 63.2 t-20 . . . . . 0 CA--C 1.53 0.199 0 CA-C-N 119.193 0.906 . . . . 0.0 111.793 -179.032 . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 15.6 m . . . . . 0 CA--C 1.531 0.222 0 N-CA-C 110.669 -0.122 . . . . 0.0 110.669 . . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 36.6 ttm180 -113.32 156.64 23.01 Favored 'General case' 0 CA--C 1.523 -0.085 0 C-N-CA 124.708 1.203 . . . . 0.0 110.115 -175.77 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 64.8 t -130.27 134.09 63.05 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.176 0 CA-C-O 120.791 0.329 . . . . 0.0 110.309 177.022 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 22.3 t80 -94.19 131.72 39.47 Favored 'General case' 0 N--CA 1.451 -0.378 0 C-N-CA 123.878 0.871 . . . . 0.0 108.917 175.259 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 60.1 mt -120.09 84.3 0.83 Allowed 'Isoleucine or valine' 0 CA--C 1.521 -0.16 0 N-CA-C 108.002 -1.11 . . . . 0.0 108.002 -179.592 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -82.69 172.05 51.65 Favored Glycine 0 CA--C 1.524 0.644 0 N-CA-C 111.107 -0.797 . . . . 0.0 111.107 178.774 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 53.8 t30 49.55 49.39 20.02 Favored 'General case' 0 CA--C 1.533 0.311 0 C-N-CA 123.202 0.601 . . . . 0.0 111.237 -179.617 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 53.2 tp -98.55 144.87 27.4 Favored 'General case' 0 N--CA 1.455 -0.188 0 C-N-CA 123.121 0.568 . . . . 0.0 110.171 179.524 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 65.3 t30 -70.07 -39.81 75.4 Favored 'General case' 0 N--CA 1.457 -0.113 0 O-C-N 122.168 -0.332 . . . . 0.0 111.418 -177.963 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 18.2 p 56.46 -1.79 0.04 OUTLIER 'General case' 0 CA--C 1.532 0.265 0 C-N-CA 126.89 2.076 . . . . 0.0 115.389 -179.941 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 7.9 mp -90.78 -16.84 27.67 Favored 'General case' 0 CA--C 1.53 0.184 0 C-N-CA 123.019 0.527 . . . . 0.0 111.274 177.628 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 56.6 t -127.29 -17.89 2.62 Favored 'Isoleucine or valine' 0 CA--C 1.53 0.197 0 C-N-CA 122.754 0.422 . . . . 0.0 110.649 179.822 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 55.0 t -115.02 131.5 67.07 Favored 'Isoleucine or valine' 0 C--N 1.341 0.213 0 O-C-N 122.277 -0.264 . . . . 0.0 110.842 178.589 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 73.5 mmtt -122.64 177.76 5.3 Favored 'General case' 0 CA--C 1.522 -0.1 0 C-N-CA 123.934 0.894 . . . . 0.0 110.699 -177.536 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 10.9 ptmt -71.05 -5.64 32.89 Favored 'General case' 0 C--N 1.333 -0.11 0 C-N-CA 123.833 0.853 . . . . 0.0 112.026 -179.801 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 46.2 m -100.9 0.79 39.09 Favored 'General case' 0 C--N 1.333 -0.15 0 C-N-CA 123.967 0.907 . . . . 0.0 110.498 173.833 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 28.4 m-20 -116.26 -33.42 4.99 Favored 'General case' 0 N--CA 1.452 -0.328 0 C-N-CA 123.866 0.866 . . . . 0.0 110.649 179.69 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 75.6 t -64.69 -31.17 52.59 Favored 'Isoleucine or valine' 0 N--CA 1.456 -0.148 0 N-CA-C 108.95 -0.759 . . . . 0.0 108.95 177.951 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 25.5 pt-20 -79.8 8.09 7.43 Favored 'General case' 0 CA--C 1.532 0.27 0 O-C-N 122.14 -0.35 . . . . 0.0 111.823 178.221 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -126.08 -7.79 6.55 Favored 'General case' 0 N--CA 1.454 -0.227 0 C-N-CA 123.42 0.688 . . . . 0.0 111.025 176.315 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 79.3 mt -108.63 -27.93 2.84 Favored 'Isoleucine or valine' 0 C--N 1.338 0.1 0 C-N-CA 123.062 0.545 . . . . 0.0 110.508 178.607 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 37' ' ' PHE . . . . . . . . . . . . . 58.9 m-85 -102.47 -8.25 21.24 Favored 'General case' 0 N--CA 1.453 -0.29 0 C-N-CA 122.703 0.401 . . . . 0.0 110.933 -179.87 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 66.5 p -72.2 -14.77 61.88 Favored 'General case' 0 C--O 1.23 0.059 0 C-N-CA 122.421 0.288 . . . . 0.0 111.41 -178.758 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 13.2 ptmm? -81.5 -10.39 59.49 Favored 'General case' 0 C--O 1.233 0.2 0 C-N-CA 123.237 0.615 . . . . 0.0 112.189 179.296 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 40' ' ' TYR . . . . . . . . . . . . . 72.1 m-85 -107.09 -14.69 14.86 Favored 'General case' 0 C--O 1.233 0.191 0 C-N-CA 122.728 0.411 . . . . 0.0 111.426 177.914 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -176.37 161.2 29.31 Favored Glycine 0 C--N 1.335 0.516 0 N-CA-C 112.03 -0.428 . . . . 0.0 112.03 174.158 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 78.0 tttt -71.66 114.12 9.42 Favored 'General case' 0 N--CA 1.45 -0.44 0 N-CA-C 108.886 -0.783 . . . . 0.0 108.886 177.34 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 43' ' ' ILE . . . . . . . . . . . . . 72.8 mt -83.3 129.97 36.57 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.344 0 N-CA-C 109.664 -0.495 . . . . 0.0 109.664 -178.199 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 33.5 m -109.61 -6.72 11.2 Favored 'Isoleucine or valine' 0 N--CA 1.457 -0.098 0 C-N-CA 123.223 0.609 . . . . 0.0 110.668 178.753 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . -168.19 145.75 9.9 Favored Glycine 0 C--N 1.338 0.639 0 N-CA-C 109.994 -1.242 . . . . 0.0 109.994 176.946 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 46' ' ' CYS . . . . . . . . . . . . . 49.1 t -150.37 144.46 25.49 Favored 'General case' 0 N--CA 1.453 -0.32 0 N-CA-C 109.864 -0.421 . . . . 0.0 109.864 -179.542 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 22.7 t -153.94 148.22 25.93 Favored 'General case' 0 N--CA 1.453 -0.287 0 N-CA-C 109.986 -0.375 . . . . 0.0 109.986 177.196 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 48' ' ' VAL . . . . . . . . . . . . . 83.6 t -125.45 147.06 30.21 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.264 0 N-CA-C 109.204 -0.665 . . . . 0.0 109.204 177.184 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 49' ' ' HIS . . . . . . . . . . . . . 45.0 m-70 -133.41 -166.92 1.84 Allowed 'General case' 0 N--CA 1.45 -0.438 0 N-CA-C 107.915 -1.143 . . . . 0.0 107.915 -177.407 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 29.7 mmmt -89.78 119.32 30.07 Favored 'General case' 0 N--CA 1.457 -0.108 0 O-C-N 121.807 -0.558 . . . . 0.0 110.088 176.402 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 83.04 -12.99 46.99 Favored Glycine 0 CA--C 1.53 0.987 0 C-N-CA 123.718 0.675 . . . . 0.0 113.107 179.059 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 53.7 p90 -149.93 169.04 22.09 Favored 'General case' 0 CA--C 1.527 0.075 0 CA-C-N 118.541 1.171 . . . . 0.0 111.601 179.659 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -148.11 171.05 16.49 Favored 'General case' 0 N--CA 1.456 -0.164 0 C-N-CA 123.964 0.906 . . . . 0.0 109.881 176.458 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 54' ' ' PHE . . . . . . . . . . . . . 13.1 m-85 -139.65 146.93 40.32 Favored 'General case' 0 N--CA 1.451 -0.388 0 C-N-CA 123.364 0.665 . . . . 0.0 110.653 -179.495 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 97.8 t -135.56 146.71 29.41 Favored 'Isoleucine or valine' 0 CA--C 1.518 -0.282 0 N-CA-C 108.756 -0.831 . . . . 0.0 108.756 178.101 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 56' ' ' GLN . . . . . . . . . . . . . 68.3 tp60 -126.24 132.23 51.76 Favored 'General case' 0 N--CA 1.449 -0.477 0 N-CA-C 109.043 -0.725 . . . . 0.0 109.043 -178.776 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 57' ' ' TYR . . . . . 0.44 ' HH ' ' CB ' ' A' ' 66' ' ' ALA . 42.7 m-85 -114.5 175.45 5.48 Favored 'General case' 0 N--CA 1.454 -0.256 0 C-N-CA 123.577 0.751 . . . . 0.0 110.453 -179.825 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 58' ' ' VAL . . . . . . . . . . . . . 60.2 t -71.04 -30.1 39.77 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.415 0 CA-C-N 115.857 -0.611 . . . . 0.0 110.346 178.493 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 59' ' ' ASN . . . . . . . . . . . . . 0.0 OUTLIER -156.49 165.85 35.11 Favored 'General case' 0 N--CA 1.454 -0.233 0 N-CA-C 112.42 0.526 . . . . 0.0 112.42 178.063 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 82.9 tt0 -57.2 -29.81 64.02 Favored 'General case' 0 CA--C 1.528 0.13 0 C-N-CA 123.935 0.894 . . . . 0.0 112.742 -179.674 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 19.5 tpp180 -60.06 -37.73 80.74 Favored 'General case' 0 CA--C 1.529 0.147 0 CA-C-N 119.398 0.999 . . . . 0.0 109.897 179.811 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 62' ' ' ASN . . . . . . . . . . . . . 18.1 m120 -72.29 -24.74 61.38 Favored 'General case' 0 N--CA 1.45 -0.445 0 C-N-CA 120.738 -0.385 . . . . 0.0 110.956 179.125 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -75.04 -39.04 61.27 Favored 'General case' 0 N--CA 1.455 -0.219 0 N-CA-C 110.161 -0.311 . . . . 0.0 110.161 178.048 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 64' ' ' ARG . . . . . . . . . . . . . 24.1 mmt180 -66.96 -27.85 67.8 Favored 'General case' 0 C--O 1.23 0.05 0 N-CA-C 110.331 -0.248 . . . . 0.0 110.331 178.386 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -77.23 -33.79 56.04 Favored 'General case' 0 N--CA 1.452 -0.352 0 CA-C-N 117.401 0.092 . . . . 0.0 111.084 -179.261 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 66' ' ' ALA . . . . . 0.44 ' CB ' ' HH ' ' A' ' 57' ' ' TYR . . . -83.13 -34.18 26.11 Favored 'General case' 0 N--CA 1.452 -0.35 0 O-C-N 122.237 -0.289 . . . . 0.0 111.626 179.854 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 67' ' ' VAL . . . . . . . . . . . . . 51.2 t -64.62 -33.95 66.59 Favored 'Isoleucine or valine' 0 C--O 1.23 0.054 0 N-CA-C 110.105 -0.332 . . . . 0.0 110.105 175.675 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -93.03 -10.04 37.6 Favored 'General case' 0 N--CA 1.455 -0.202 0 N-CA-C 112.186 0.439 . . . . 0.0 112.186 178.054 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . -101.2 -14.69 30.07 Favored Glycine 0 CA--C 1.529 0.925 0 CA-C-O 119.139 -0.812 . . . . 0.0 113.753 -177.504 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 45.8 mm-40 -131.85 -16.59 2.9 Favored 'General case' 0 N--CA 1.463 0.198 0 CA-C-N 118.775 1.288 . . . . 0.0 112.695 -175.011 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 25.4 t70 -60.73 119.78 8.81 Favored 'General case' 0 N--CA 1.453 -0.283 0 O-C-N 121.067 -1.021 . . . . 0.0 109.998 177.505 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . 78.64 19.28 73.86 Favored Glycine 0 CA--C 1.529 0.949 0 CA-C-O 119.931 -0.371 . . . . 0.0 112.922 177.857 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 73' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -79.97 -20.11 46.3 Favored 'General case' 0 N--CA 1.467 0.375 0 N-CA-C 113.506 0.928 . . . . 0.0 113.506 -175.118 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 74' ' ' MET . . . . . . . . . . . . . 58.1 ttm 73.34 121.51 0.04 OUTLIER 'General case' 0 C--N 1.327 -0.387 0 C-N-CA 127.058 2.143 . . . . 0.0 111.694 177.735 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 75' ' ' ILE . . . . . . . . . . . . . 0.3 OUTLIER -136.73 139.76 44.29 Favored 'Isoleucine or valine' 0 N--CA 1.446 -0.658 0 CA-C-N 115.092 -0.958 . . . . 0.0 109.44 -176.805 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . 55.28 15.53 1.37 Allowed 'General case' 0 CA--C 1.533 0.324 0 N-CA-C 112.407 0.521 . . . . 0.0 112.407 -175.318 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 91.67 4.4 67.74 Favored Glycine 0 CA--C 1.528 0.885 0 CA-C-O 119.684 -0.509 . . . . 0.0 111.879 -179.429 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 78' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -124.92 131.73 53.39 Favored 'General case' 0 N--CA 1.453 -0.28 0 CA-C-N 117.755 0.778 . . . . 0.0 109.866 -179.376 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 79' ' ' VAL . . . . . . . . . . . . . 38.7 t -65.35 139.34 21.52 Favored 'Isoleucine or valine' 0 CA--C 1.523 -0.085 0 C-N-CA 123.743 0.817 . . . . 0.0 110.453 -176.86 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 26.8 mt -94.62 156.35 16.46 Favored 'General case' 0 N--CA 1.456 -0.137 0 CA-C-O 120.816 0.341 . . . . 0.0 110.603 176.749 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 81' ' ' ASP . . . . . . . . . . . . . 6.1 m-20 -125.32 95.78 4.59 Favored 'General case' 0 N--CA 1.453 -0.304 0 N-CA-C 107.615 -1.254 . . . . 0.0 107.615 177.101 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 82' ' ' ILE . . . . . . . . . . . . . 67.0 mt -109.96 139.11 34.63 Favored 'Isoleucine or valine' 0 N--CA 1.456 -0.172 0 C-N-CA 123.273 0.629 . . . . 0.0 109.899 -170.614 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 83' ' ' ASN . . . . . . . . . . . . . 6.7 t30 -154.12 158.13 39.95 Favored 'General case' 0 CA--C 1.53 0.21 0 N-CA-C 109.783 -0.451 . . . . 0.0 109.783 -175.853 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 84' ' ' LEU . . . . . . . . . . . . . 17.6 tp -60.46 139.69 57.6 Favored 'General case' 0 N--CA 1.45 -0.45 0 N-CA-C 109.174 -0.676 . . . . 0.0 109.174 174.408 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.531 0.225 0 N-CA-C 113.5 0.926 . . . . 0.0 113.5 -175.216 . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' A' A ' 98' ' ' LYS . . . . . . . . . . . . . 8.3 mptt . . . . . 0 CA--C 1.529 0.145 0 N-CA-C 111.553 0.205 . . . . 0.0 111.553 . . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' A' A ' 99' ' ' ARG . . . . . . . . . . . . . 21.4 tpt180 -136.23 170.48 15.96 Favored 'General case' 0 CA--C 1.529 0.141 0 C-N-CA 123.893 0.877 . . . . 0.0 109.121 179.234 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 67.0 m -61.87 -15.1 39.77 Favored 'General case' 0 C--O 1.232 0.135 0 N-CA-C 112.503 0.557 . . . . 0.0 112.503 179.305 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 101' ' ' ALA . . . . . . . . . . . . . . . 53.0 17.1 0.83 Allowed 'General case' 0 CA--C 1.533 0.303 0 C-N-CA 123.989 0.916 . . . . 0.0 112.209 -176.486 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -148.86 14.23 0.92 Allowed 'General case' 0 N--CA 1.454 -0.267 0 C-N-CA 123.654 0.781 . . . . 0.0 110.946 -178.558 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 20.5 pt-20 -68.36 -4.97 16.35 Favored 'General case' 0 CA--C 1.531 0.221 0 N-CA-C 112.459 0.54 . . . . 0.0 112.459 -175.989 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 104' ' ' MET . . . . . . . . . . . . . 73.5 mtm -105.84 6.54 31.7 Favored 'General case' 0 CA--C 1.533 0.295 0 C-N-CA 123.449 0.7 . . . . 0.0 111.472 178.903 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 105' ' ' TYR . . . . . . . . . . . . . 61.1 m-85 -133.52 -2.09 3.08 Favored 'General case' 0 CA--C 1.53 0.183 0 C-N-CA 122.814 0.446 . . . . 0.0 111.879 -177.599 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 106' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--N 1.339 0.735 0 N-CA-C 111.445 -0.662 . . . . 0.0 111.445 179.066 . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' A' A ' 4' ' ' ASN . . . . . . . . . . . . . 52.8 p-10 . . . . . 0 CA--C 1.532 0.271 0 N-CA-C 111.989 0.366 . . . . 0.0 111.989 . . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 96.9 t -94.67 134.0 33.64 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.18 0 C-N-CA 123.116 0.567 . . . . 0.0 110.56 -178.223 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 60.7 p -146.66 5.13 0.9 Allowed 'General case' 0 C--N 1.339 0.114 0 C-N-CA 123.205 0.602 . . . . 0.0 111.86 179.265 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 7' ' ' ASN . . . . . . . . . . . . . 62.3 t-20 . . . . . 0 N--CA 1.455 -0.182 0 O-C-N 121.338 -0.851 . . . . 0.0 110.893 -177.14 . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 70.2 p . . . . . 0 N--CA 1.456 -0.173 0 CA-C-O 120.31 0.1 . . . . 0.0 110.996 . . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 30.2 ttp-105 -100.06 154.43 18.42 Favored 'General case' 0 N--CA 1.456 -0.158 0 C-N-CA 123.576 0.75 . . . . 0.0 110.299 177.671 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 88.1 t -128.09 130.89 69.78 Favored 'Isoleucine or valine' 0 N--CA 1.449 -0.507 0 C-N-CA 123.168 0.587 . . . . 0.0 110.095 177.87 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 16.1 t80 -86.93 133.5 33.59 Favored 'General case' 0 N--CA 1.452 -0.372 0 C-N-CA 123.917 0.887 . . . . 0.0 109.052 175.08 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 64.0 mt -122.0 83.36 0.8 Allowed 'Isoleucine or valine' 0 N--CA 1.455 -0.184 0 N-CA-C 107.797 -1.186 . . . . 0.0 107.797 178.21 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -84.73 173.31 49.14 Favored Glycine 0 CA--C 1.523 0.548 0 N-CA-C 110.998 -0.841 . . . . 0.0 110.998 178.04 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 59.1 t30 48.6 49.15 18.94 Favored 'General case' 0 CA--C 1.532 0.253 0 C-N-CA 123.072 0.549 . . . . 0.0 110.858 -178.666 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 59.4 tp -101.19 146.25 27.75 Favored 'General case' 0 CA--C 1.529 0.148 0 N-CA-C 109.381 -0.6 . . . . 0.0 109.381 179.219 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 64.0 t30 -70.22 -37.25 74.99 Favored 'General case' 0 N--CA 1.455 -0.191 0 O-C-N 122.205 -0.309 . . . . 0.0 111.424 -177.338 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 49.7 p 51.95 7.52 0.05 Allowed 'General case' 0 N--CA 1.465 0.317 0 C-N-CA 126.385 1.874 . . . . 0.0 115.106 178.992 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 6.7 mp -102.03 -14.23 17.22 Favored 'General case' 0 CA--C 1.53 0.175 0 C-N-CA 123.589 0.756 . . . . 0.0 111.095 176.516 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 61.5 t -128.14 -20.14 1.93 Allowed 'Isoleucine or valine' 0 C--O 1.23 0.06 0 C-N-CA 122.937 0.495 . . . . 0.0 110.636 178.773 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 57.4 t -108.27 137.05 41.77 Favored 'Isoleucine or valine' 0 C--O 1.234 0.247 0 O-C-N 122.262 -0.273 . . . . 0.0 110.3 178.003 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -127.31 171.85 11.13 Favored 'General case' 0 C--N 1.337 0.062 0 C-N-CA 124.07 0.948 . . . . 0.0 109.753 -178.582 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 10.7 ptmt -66.77 -5.01 10.45 Favored 'General case' 0 CA--C 1.529 0.135 0 C-N-CA 123.651 0.78 . . . . 0.0 112.638 179.909 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 53.3 p -95.68 -11.63 26.8 Favored 'General case' 0 CA--C 1.529 0.148 0 C-N-CA 123.593 0.757 . . . . 0.0 110.969 174.684 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 39.4 m-20 -103.23 -34.38 8.84 Favored 'General case' 0 N--CA 1.452 -0.37 0 C-N-CA 124.451 1.1 . . . . 0.0 110.691 179.54 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 85.6 t -66.62 -30.61 50.28 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.188 0 N-CA-C 109.014 -0.736 . . . . 0.0 109.014 -179.187 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 25.5 pt-20 -80.15 8.08 7.98 Favored 'General case' 0 CA--C 1.532 0.254 0 N-CA-C 111.818 0.303 . . . . 0.0 111.818 178.178 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -125.92 -9.32 6.62 Favored 'General case' 0 N--CA 1.456 -0.17 0 C-N-CA 123.251 0.62 . . . . 0.0 111.168 176.407 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 73.3 mt -107.26 -28.1 2.87 Favored 'Isoleucine or valine' 0 C--N 1.34 0.193 0 C-N-CA 123.055 0.542 . . . . 0.0 110.591 178.692 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 37' ' ' PHE . . . . . . . . . . . . . 66.1 m-85 -101.86 -8.84 21.27 Favored 'General case' 0 N--CA 1.453 -0.311 0 C-N-CA 122.56 0.344 . . . . 0.0 111.102 179.559 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 26.6 t -73.12 -13.56 61.21 Favored 'General case' 0 CA--C 1.528 0.118 0 O-C-N 122.194 -0.317 . . . . 0.0 111.149 -178.709 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 18.3 ptmt -83.92 -10.8 57.69 Favored 'General case' 0 CA--C 1.53 0.211 0 C-N-CA 122.893 0.477 . . . . 0.0 112.031 179.714 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 40' ' ' TYR . . . . . . . . . . . . . 74.8 m-85 -106.24 -14.73 15.04 Favored 'General case' 0 N--CA 1.463 0.191 0 C-N-CA 122.643 0.377 . . . . 0.0 111.216 177.957 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -176.59 160.21 27.54 Favored Glycine 0 C--N 1.335 0.476 0 N-CA-C 111.877 -0.489 . . . . 0.0 111.877 174.673 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 78.6 tttt -72.11 114.35 10.12 Favored 'General case' 0 N--CA 1.452 -0.35 0 N-CA-C 108.744 -0.836 . . . . 0.0 108.744 178.337 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 43' ' ' ILE . . . . . . . . . . . . . 74.4 mt -83.22 129.28 37.73 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.182 0 N-CA-C 109.745 -0.465 . . . . 0.0 109.745 -178.447 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 34.1 m -108.56 -6.61 10.91 Favored 'Isoleucine or valine' 0 CA--C 1.527 0.07 0 C-N-CA 123.364 0.666 . . . . 0.0 110.731 178.329 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . -172.21 147.42 9.96 Favored Glycine 0 CA--C 1.525 0.696 0 N-CA-C 110.05 -1.22 . . . . 0.0 110.05 177.14 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 46' ' ' CYS . . . . . . . . . . . . . 52.9 t -153.04 144.82 23.56 Favored 'General case' 0 N--CA 1.45 -0.425 0 N-CA-C 109.804 -0.443 . . . . 0.0 109.804 179.777 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 22.6 t -151.53 142.85 23.38 Favored 'General case' 0 N--CA 1.45 -0.471 0 N-CA-C 109.963 -0.384 . . . . 0.0 109.963 177.265 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 48' ' ' VAL . . . . . . . . . . . . . 93.8 t -120.0 146.23 25.09 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.376 0 N-CA-C 109.186 -0.672 . . . . 0.0 109.186 178.245 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 49' ' ' HIS . . . . . . . . . . . . . 43.4 m-70 -131.78 -163.17 1.3 Allowed 'General case' 0 N--CA 1.452 -0.353 0 C-N-CA 124.458 1.103 . . . . 0.0 108.036 -176.677 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 7.0 tmtt? -93.18 114.38 26.86 Favored 'General case' 0 N--CA 1.454 -0.269 0 N-CA-C 109.307 -0.627 . . . . 0.0 109.307 177.829 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 85.62 -11.42 61.7 Favored Glycine 0 CA--C 1.528 0.888 0 CA-C-O 119.674 -0.515 . . . . 0.0 113.289 178.636 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 50.5 p90 -149.83 167.24 27.13 Favored 'General case' 0 N--CA 1.456 -0.129 0 CA-C-N 118.576 1.188 . . . . 0.0 111.545 179.254 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -148.63 172.27 14.82 Favored 'General case' 0 N--CA 1.455 -0.207 0 C-N-CA 123.837 0.855 . . . . 0.0 110.389 176.897 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 54' ' ' PHE . . . . . . . . . . . . . 21.9 m-85 -140.95 145.93 36.68 Favored 'General case' 0 N--CA 1.453 -0.308 0 C-N-CA 123.915 0.886 . . . . 0.0 110.79 179.75 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 96.8 t -135.98 136.13 49.94 Favored 'Isoleucine or valine' 0 CA--C 1.519 -0.241 0 C-N-CA 123.573 0.749 . . . . 0.0 109.181 178.17 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 56' ' ' GLN . . . . . . . . . . . . . 58.2 tp60 -115.58 130.29 56.82 Favored 'General case' 0 N--CA 1.45 -0.454 0 C-N-CA 123.343 0.657 . . . . 0.0 109.541 -177.374 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 57' ' ' TYR . . . . . 0.478 ' HH ' ' CB ' ' A' ' 66' ' ' ALA . 43.2 m-85 -111.38 177.25 4.72 Favored 'General case' 0 N--CA 1.454 -0.247 0 C-N-CA 123.396 0.678 . . . . 0.0 110.758 179.47 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 58' ' ' VAL . . . . . . . . . . . . . 68.7 t -72.47 -31.39 37.89 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.183 0 CA-C-N 116.517 -0.311 . . . . 0.0 110.218 178.45 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 59' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -155.36 169.55 23.97 Favored 'General case' 0 C--O 1.231 0.129 0 CA-C-O 121.144 0.497 . . . . 0.0 112.331 178.901 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 74.3 tt0 -59.55 -30.53 68.69 Favored 'General case' 0 N--CA 1.455 -0.205 0 C-N-CA 123.883 0.873 . . . . 0.0 112.215 -178.301 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 19.2 tpp180 -59.7 -38.57 81.96 Favored 'General case' 0 N--CA 1.456 -0.134 0 CA-C-N 118.912 0.778 . . . . 0.0 109.923 -179.916 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 62' ' ' ASN . . . . . . . . . . . . . 19.5 m120 -71.44 -25.04 62.14 Favored 'General case' 0 N--CA 1.452 -0.345 0 C-N-CA 121.08 -0.248 . . . . 0.0 111.047 179.637 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -74.68 -37.59 62.62 Favored 'General case' 0 N--CA 1.454 -0.228 0 N-CA-C 110.372 -0.233 . . . . 0.0 110.372 177.982 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 64' ' ' ARG . . . . . . . . . . . . . 32.1 mmt180 -69.75 -26.45 64.31 Favored 'General case' 0 N--CA 1.457 -0.088 0 N-CA-C 110.606 -0.146 . . . . 0.0 110.606 179.392 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -78.36 -33.38 49.05 Favored 'General case' 0 N--CA 1.454 -0.237 0 CA-C-N 117.389 0.086 . . . . 0.0 110.877 -179.743 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 66' ' ' ALA . . . . . 0.478 ' CB ' ' HH ' ' A' ' 57' ' ' TYR . . . -82.31 -35.8 27.6 Favored 'General case' 0 N--CA 1.452 -0.372 0 O-C-N 122.024 -0.422 . . . . 0.0 111.452 179.217 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 67' ' ' VAL . . . . . . . . . . . . . 52.0 t -64.98 -30.78 51.37 Favored 'Isoleucine or valine' 0 C--O 1.227 -0.097 0 N-CA-C 109.904 -0.406 . . . . 0.0 109.904 176.038 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -94.33 -10.31 33.12 Favored 'General case' 0 N--CA 1.455 -0.2 0 O-C-N 122.108 -0.37 . . . . 0.0 111.857 177.772 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . -101.93 -13.08 32.69 Favored Glycine 0 CA--C 1.532 1.113 0 CA-C-O 119.216 -0.769 . . . . 0.0 113.924 -177.415 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 24.7 mm-40 -135.56 -19.38 1.63 Allowed 'General case' 0 N--CA 1.465 0.278 0 CA-C-N 118.671 1.236 . . . . 0.0 112.561 -174.282 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 18.9 t0 -61.96 118.32 7.1 Favored 'General case' 0 N--CA 1.455 -0.177 0 CA-C-N 119.425 1.011 . . . . 0.0 110.244 178.893 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . 87.2 9.96 72.27 Favored Glycine 0 C--N 1.336 0.577 0 N-CA-C 111.115 -0.794 . . . . 0.0 111.115 179.258 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 73' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -75.95 168.8 19.37 Favored 'General case' 0 N--CA 1.45 -0.427 0 N-CA-C 106.482 -1.673 . . . . 0.0 106.482 171.511 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 74' ' ' MET . . . . . . . . . . . . . 32.4 ttm -113.69 121.61 44.63 Favored 'General case' 0 N--CA 1.45 -0.453 0 N-CA-C 109.342 -0.614 . . . . 0.0 109.342 -176.97 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 75' ' ' ILE . . . . . . . . . . . . . 0.2 OUTLIER -129.11 136.39 59.72 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.28 0 N-CA-C 109.335 -0.616 . . . . 0.0 109.335 179.692 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . 54.37 17.35 1.53 Allowed 'General case' 0 CA--C 1.531 0.238 0 C-N-CA 123.324 0.649 . . . . 0.0 112.204 -174.177 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 89.61 4.66 72.86 Favored Glycine 0 CA--C 1.527 0.81 0 CA-C-O 119.753 -0.47 . . . . 0.0 112.194 -179.111 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 78' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -124.65 132.12 53.43 Favored 'General case' 0 N--CA 1.451 -0.383 0 CA-C-N 117.897 0.849 . . . . 0.0 110.503 -179.531 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 79' ' ' VAL . . . . . . . . . . . . . 47.2 t -64.29 140.08 20.29 Favored 'Isoleucine or valine' 0 N--CA 1.462 0.172 0 C-N-CA 124.492 1.117 . . . . 0.0 110.434 -179.029 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 30.4 mt -94.02 156.65 16.49 Favored 'General case' 0 N--CA 1.458 -0.075 0 CA-C-O 120.938 0.399 . . . . 0.0 111.394 177.509 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 81' ' ' ASP . . . . . . . . . . . . . 56.1 t0 -122.22 97.19 5.36 Favored 'General case' 0 N--CA 1.456 -0.15 0 N-CA-C 107.628 -1.249 . . . . 0.0 107.628 174.365 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 82' ' ' ILE . . . . . . . . . . . . . 67.4 mt -111.15 140.19 31.57 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.39 0 C-N-CA 123.156 0.582 . . . . 0.0 109.739 -171.288 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 83' ' ' ASN . . . . . . . . . . . . . 1.6 t30 -156.15 157.36 35.82 Favored 'General case' 0 N--CA 1.453 -0.31 0 CA-C-O 120.693 0.283 . . . . 0.0 110.785 -172.854 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 84' ' ' LEU . . . . . . . . . . . . . 1.2 tm? -59.58 131.06 49.79 Favored 'General case' 0 N--CA 1.453 -0.282 0 N-CA-C 107.914 -1.143 . . . . 0.0 107.914 172.6 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.532 0.288 0 N-CA-C 114.688 1.366 . . . . 0.0 114.688 -172.592 . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' A' A ' 98' ' ' LYS . . . . . . . . . . . . . 72.7 mmtt . . . . . 0 CA--C 1.529 0.161 0 N-CA-C 111.865 0.32 . . . . 0.0 111.865 . . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' A' A ' 99' ' ' ARG . . . . . . . . . . . . . 83.4 mtt-85 -133.49 174.78 10.04 Favored 'General case' 0 N--CA 1.455 -0.178 0 C-N-CA 124.117 0.967 . . . . 0.0 111.044 -178.247 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 30.8 m -68.82 -10.87 59.26 Favored 'General case' 0 N--CA 1.453 -0.324 0 C-N-CA 123.662 0.785 . . . . 0.0 112.474 -179.08 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 101' ' ' ALA . . . . . . . . . . . . . . . 54.61 11.42 0.44 Allowed 'General case' 0 CA--C 1.534 0.349 0 C-N-CA 124.22 1.008 . . . . 0.0 112.967 -176.362 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -146.13 5.84 0.99 Allowed 'General case' 0 N--CA 1.454 -0.259 0 C-N-CA 123.615 0.766 . . . . 0.0 111.274 179.296 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 12.5 pt-20 -82.26 -2.17 51.72 Favored 'General case' 0 CA--C 1.53 0.183 0 C-N-CA 123.386 0.674 . . . . 0.0 112.014 -177.273 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 104' ' ' MET . . . . . . . . . . . . . 73.6 mtm -110.64 8.55 22.77 Favored 'General case' 0 C--O 1.231 0.125 0 C-N-CA 123.679 0.792 . . . . 0.0 111.68 -178.813 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 105' ' ' TYR . . . . . . . . . . . . . 38.1 m-85 -133.23 5.54 3.81 Favored 'General case' 0 CA--C 1.53 0.179 0 C-N-CA 122.743 0.417 . . . . 0.0 111.749 -177.879 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 106' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--N 1.335 0.517 0 N-CA-C 111.363 -0.695 . . . . 0.0 111.363 179.645 . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' A' A ' 4' ' ' ASN . . . . . . . . . . . . . 64.8 t30 . . . . . 0 CA--C 1.534 0.341 0 N-CA-C 112.156 0.428 . . . . 0.0 112.156 . . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 91.7 t -131.96 134.95 59.35 Favored 'Isoleucine or valine' 0 C--N 1.34 0.194 0 C-N-CA 122.943 0.497 . . . . 0.0 110.09 -179.674 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 68.5 p -147.89 1.25 0.66 Allowed 'General case' 0 CA--C 1.528 0.12 0 N-CA-C 112.251 0.463 . . . . 0.0 112.251 -176.603 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 7' ' ' ASN . . . . . . . . . . . . . 63.1 t-20 . . . . . 0 N--CA 1.455 -0.197 0 O-C-N 121.41 -0.806 . . . . 0.0 110.886 -175.957 . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 14.6 m . . . . . 0 N--CA 1.455 -0.191 0 N-CA-C 111.114 0.042 . . . . 0.0 111.114 . . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 29.9 ttp-105 -102.07 152.36 21.07 Favored 'General case' 0 C--N 1.341 0.218 0 C-N-CA 123.578 0.751 . . . . 0.0 110.036 179.545 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 79.3 t -128.76 132.74 67.37 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.243 0 C-N-CA 122.962 0.505 . . . . 0.0 109.761 177.449 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 29.8 t80 -94.78 136.17 35.4 Favored 'General case' 0 N--CA 1.452 -0.332 0 C-N-CA 124.001 0.92 . . . . 0.0 109.292 175.934 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 56.8 mt -123.26 85.98 1.0 Allowed 'Isoleucine or valine' 0 N--CA 1.455 -0.194 0 N-CA-C 108.054 -1.091 . . . . 0.0 108.054 -178.452 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -83.93 173.52 50.68 Favored Glycine 0 CA--C 1.525 0.709 0 N-CA-C 110.93 -0.868 . . . . 0.0 110.93 178.125 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 8.9 t30 50.55 42.52 26.81 Favored 'General case' 0 CA--C 1.531 0.225 0 C-N-CA 123.066 0.546 . . . . 0.0 111.097 179.199 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 53.6 tp -94.62 144.42 25.62 Favored 'General case' 0 CA--C 1.532 0.254 0 C-N-CA 123.509 0.724 . . . . 0.0 109.331 179.547 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 64.4 t30 -68.23 -36.97 80.32 Favored 'General case' 0 C--O 1.226 -0.148 0 C-N-CA 120.825 -0.35 . . . . 0.0 111.408 -178.052 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 44.5 p 51.08 8.71 0.04 OUTLIER 'General case' 0 N--CA 1.466 0.364 0 C-N-CA 126.386 1.874 . . . . 0.0 114.998 179.166 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 6.8 mp -103.82 -14.7 15.94 Favored 'General case' 0 C--O 1.23 0.064 0 C-N-CA 123.526 0.73 . . . . 0.0 111.17 176.961 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 58.3 t -127.51 -18.43 2.43 Favored 'Isoleucine or valine' 0 CA--C 1.529 0.171 0 C-N-CA 122.947 0.499 . . . . 0.0 110.54 178.467 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 65.4 t -109.1 143.05 20.03 Favored 'Isoleucine or valine' 0 CA--C 1.528 0.124 0 N-CA-C 109.71 -0.478 . . . . 0.0 109.71 177.706 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -135.81 173.29 11.88 Favored 'General case' 0 N--CA 1.457 -0.111 0 C-N-CA 123.332 0.653 . . . . 0.0 110.105 -177.869 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 3.9 ptmm? -65.59 -5.3 7.81 Favored 'General case' 0 CA--C 1.529 0.15 0 C-N-CA 124.041 0.936 . . . . 0.0 112.451 -179.426 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 54.0 p -97.68 -12.93 21.82 Favored 'General case' 0 CA--C 1.529 0.158 0 C-N-CA 123.654 0.782 . . . . 0.0 110.872 175.573 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 55.1 m-20 -100.89 -35.11 9.52 Favored 'General case' 0 N--CA 1.451 -0.402 0 C-N-CA 124.222 1.009 . . . . 0.0 111.03 178.603 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 71.4 t -63.07 -32.74 57.32 Favored 'Isoleucine or valine' 0 CA--C 1.528 0.097 0 N-CA-C 109.406 -0.59 . . . . 0.0 109.406 179.484 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 24.1 pt-20 -79.81 8.16 7.32 Favored 'General case' 0 CA--C 1.531 0.224 0 N-CA-C 111.979 0.363 . . . . 0.0 111.979 178.955 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -127.07 -7.55 5.98 Favored 'General case' 0 CA--C 1.53 0.193 0 C-N-CA 123.244 0.618 . . . . 0.0 111.426 177.159 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 74.9 mt -109.68 -27.47 2.89 Favored 'Isoleucine or valine' 0 C--O 1.226 -0.133 0 C-N-CA 123.173 0.589 . . . . 0.0 110.704 178.608 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 37' ' ' PHE . . . . . . . . . . . . . 67.5 m-85 -103.01 -9.13 20.05 Favored 'General case' 0 N--CA 1.453 -0.282 0 C-N-CA 122.497 0.319 . . . . 0.0 110.812 179.559 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 22.9 t -74.34 -11.34 60.23 Favored 'General case' 0 CA--C 1.528 0.127 0 CA-C-O 120.796 0.331 . . . . 0.0 111.096 -178.742 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 18.6 ptmt -83.47 -11.57 57.34 Favored 'General case' 0 C--N 1.339 0.151 0 C-N-CA 122.956 0.502 . . . . 0.0 111.942 179.416 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 40' ' ' TYR . . . . . . . . . . . . . 74.1 m-85 -105.17 -16.31 14.82 Favored 'General case' 0 C--O 1.231 0.119 0 C-N-CA 122.532 0.333 . . . . 0.0 111.275 178.267 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -176.37 161.0 29.01 Favored Glycine 0 C--N 1.334 0.445 0 N-CA-C 111.455 -0.658 . . . . 0.0 111.455 174.276 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 56.2 tttp -70.77 116.84 11.55 Favored 'General case' 0 N--CA 1.452 -0.326 0 N-CA-C 108.918 -0.771 . . . . 0.0 108.918 177.747 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 43' ' ' ILE . . . . . . . . . . . . . 74.5 mt -82.95 131.35 33.94 Favored 'Isoleucine or valine' 0 C--N 1.333 -0.141 0 N-CA-C 109.413 -0.588 . . . . 0.0 109.413 -178.941 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 30.6 m -114.32 -2.16 10.18 Favored 'Isoleucine or valine' 0 CA--C 1.523 -0.083 0 C-N-CA 123.899 0.879 . . . . 0.0 110.81 179.46 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . -171.62 148.16 10.77 Favored Glycine 0 CA--C 1.522 0.523 0 N-CA-C 110.131 -1.188 . . . . 0.0 110.131 177.235 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 46' ' ' CYS . . . . . . . . . . . . . 28.4 p -155.63 148.98 24.81 Favored 'General case' 0 N--CA 1.452 -0.366 0 N-CA-C 109.878 -0.416 . . . . 0.0 109.878 -178.704 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 32.8 t -158.78 139.35 12.56 Favored 'General case' 0 N--CA 1.453 -0.317 0 N-CA-C 109.285 -0.635 . . . . 0.0 109.285 176.83 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 48' ' ' VAL . . . . . . . . . . . . . 98.6 t -116.82 150.39 18.83 Favored 'Isoleucine or valine' 0 CA--C 1.519 -0.214 0 N-CA-C 109.13 -0.692 . . . . 0.0 109.13 176.653 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 49' ' ' HIS . . . . . . . . . . . . . 59.0 m-70 -135.8 -165.75 1.75 Allowed 'General case' 0 N--CA 1.45 -0.457 0 N-CA-C 108.113 -1.069 . . . . 0.0 108.113 -178.482 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 75.3 mmtt -89.37 119.33 29.74 Favored 'General case' 0 N--CA 1.455 -0.213 0 CA-C-N 118.379 0.536 . . . . 0.0 109.787 176.182 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 80.89 -10.27 47.97 Favored Glycine 0 CA--C 1.533 1.186 0 CA-C-O 119.44 -0.644 . . . . 0.0 113.775 178.354 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 49.4 p90 -151.44 168.28 25.35 Favored 'General case' 0 CA--C 1.528 0.109 0 CA-C-N 118.496 1.148 . . . . 0.0 111.56 178.879 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -149.26 171.78 15.94 Favored 'General case' 0 N--CA 1.453 -0.289 0 C-N-CA 123.795 0.838 . . . . 0.0 110.138 177.421 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 54' ' ' PHE . . . . . . . . . . . . . 22.8 m-85 -139.27 145.75 39.54 Favored 'General case' 0 N--CA 1.456 -0.127 0 C-N-CA 123.851 0.86 . . . . 0.0 110.602 179.548 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 95.9 t -136.55 140.73 42.78 Favored 'Isoleucine or valine' 0 C--O 1.226 -0.171 0 C-N-CA 123.917 0.887 . . . . 0.0 109.352 178.679 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 56' ' ' GLN . . . . . . . . . . . . . 66.6 tp60 -120.58 134.27 55.3 Favored 'General case' 0 N--CA 1.452 -0.375 0 N-CA-C 109.244 -0.65 . . . . 0.0 109.244 -177.898 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 57' ' ' TYR . . . . . 0.435 ' HH ' ' CB ' ' A' ' 66' ' ' ALA . 49.7 m-85 -115.03 174.38 6.01 Favored 'General case' 0 N--CA 1.455 -0.188 0 C-N-CA 123.142 0.577 . . . . 0.0 110.961 -179.453 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 58' ' ' VAL . . . . . . . . . . . . . 87.2 t -68.75 -31.85 52.51 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.214 0 CA-C-N 116.069 -0.514 . . . . 0.0 110.096 178.235 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 59' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -157.24 168.8 26.36 Favored 'General case' 0 C--O 1.233 0.191 0 N-CA-C 112.312 0.486 . . . . 0.0 112.312 176.846 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 81.1 tt0 -56.48 -31.81 64.39 Favored 'General case' 0 N--CA 1.455 -0.2 0 C-N-CA 124.107 0.963 . . . . 0.0 112.771 -179.352 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 25.7 tpt180 -58.52 -39.55 80.43 Favored 'General case' 0 C--N 1.338 0.094 0 CA-C-N 119.341 0.973 . . . . 0.0 109.969 179.919 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 62' ' ' ASN . . . . . . . . . . . . . 20.0 m120 -71.97 -24.53 61.61 Favored 'General case' 0 N--CA 1.45 -0.438 0 C-N-CA 121.134 -0.226 . . . . 0.0 110.761 -179.733 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -76.74 -37.92 55.12 Favored 'General case' 0 N--CA 1.454 -0.238 0 N-CA-C 110.264 -0.272 . . . . 0.0 110.264 178.409 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 64' ' ' ARG . . . . . . . . . . . . . 40.2 mmt180 -68.22 -25.76 65.37 Favored 'General case' 0 CA--C 1.522 -0.114 0 N-CA-C 110.385 -0.228 . . . . 0.0 110.385 178.054 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -80.33 -33.22 37.63 Favored 'General case' 0 N--CA 1.454 -0.234 0 CA-C-N 117.64 0.2 . . . . 0.0 110.857 -178.958 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 66' ' ' ALA . . . . . 0.435 ' CB ' ' HH ' ' A' ' 57' ' ' TYR . . . -80.72 -35.23 33.75 Favored 'General case' 0 N--CA 1.454 -0.245 0 C-N-CA 121.236 -0.185 . . . . 0.0 111.257 178.935 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 67' ' ' VAL . . . . . . . . . . . . . 45.5 t -64.44 -35.12 73.45 Favored 'Isoleucine or valine' 0 N--CA 1.457 -0.089 0 N-CA-C 110.002 -0.37 . . . . 0.0 110.002 175.605 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -90.61 -10.02 44.87 Favored 'General case' 0 N--CA 1.455 -0.202 0 N-CA-C 112.104 0.409 . . . . 0.0 112.104 179.263 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . -102.87 -13.17 30.23 Favored Glycine 0 CA--C 1.531 1.081 0 CA-C-O 119.032 -0.871 . . . . 0.0 113.741 -177.534 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 42.6 mm-40 -133.46 -20.12 2.1 Favored 'General case' 0 CA--C 1.529 0.158 0 CA-C-N 118.992 1.396 . . . . 0.0 112.376 -173.401 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 24.4 t0 -62.06 116.28 4.8 Favored 'General case' 0 N--CA 1.454 -0.239 0 CA-C-N 118.991 0.814 . . . . 0.0 109.917 178.954 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . 88.92 9.83 67.48 Favored Glycine 0 CA--C 1.524 0.631 0 N-CA-C 111.167 -0.773 . . . . 0.0 111.167 179.862 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 73' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -75.62 169.88 17.25 Favored 'General case' 0 N--CA 1.45 -0.442 0 N-CA-C 106.766 -1.568 . . . . 0.0 106.766 172.05 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 74' ' ' MET . . . . . . . . . . . . . 31.1 ttm -114.81 121.61 43.8 Favored 'General case' 0 N--CA 1.451 -0.397 0 N-CA-C 109.168 -0.678 . . . . 0.0 109.168 -177.287 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 75' ' ' ILE . . . . . . . . . . . . . 0.2 OUTLIER -129.43 136.74 58.64 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.313 0 CA-C-N 116.14 -0.482 . . . . 0.0 109.9 179.525 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . 54.61 18.27 1.98 Allowed 'General case' 0 CA--C 1.533 0.295 0 C-N-CA 123.124 0.57 . . . . 0.0 112.047 -173.564 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 88.1 4.86 77.58 Favored Glycine 0 CA--C 1.528 0.865 0 CA-C-O 119.553 -0.582 . . . . 0.0 112.158 -178.815 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 78' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -125.61 134.59 51.86 Favored 'General case' 0 N--CA 1.451 -0.377 0 CA-C-N 117.889 0.845 . . . . 0.0 110.824 179.918 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 79' ' ' VAL . . . . . . . . . . . . . 59.6 t -61.78 141.36 17.75 Favored 'Isoleucine or valine' 0 N--CA 1.461 0.124 0 C-N-CA 124.781 1.232 . . . . 0.0 110.969 -179.054 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 29.6 mt -97.12 158.0 15.65 Favored 'General case' 0 N--CA 1.456 -0.136 0 CA-C-O 120.793 0.33 . . . . 0.0 111.355 175.444 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 81' ' ' ASP . . . . . . . . . . . . . 34.6 t70 -124.31 101.71 7.31 Favored 'General case' 0 N--CA 1.454 -0.243 0 N-CA-C 108.03 -1.1 . . . . 0.0 108.03 175.858 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 82' ' ' ILE . . . . . . . . . . . . . 61.3 mt -118.75 139.65 45.31 Favored 'Isoleucine or valine' 0 C--O 1.232 0.168 0 C-N-CA 122.84 0.456 . . . . 0.0 110.656 -170.392 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 83' ' ' ASN . . . . . . . . . . . . . 1.2 p-10 -159.3 166.89 30.26 Favored 'General case' 0 N--CA 1.456 -0.15 0 C-N-CA 123.362 0.665 . . . . 0.0 109.897 178.049 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 84' ' ' LEU . . . . . . . . . . . . . 4.8 tp -59.01 145.95 40.02 Favored 'General case' 0 N--CA 1.451 -0.405 0 N-CA-C 109.557 -0.535 . . . . 0.0 109.557 176.348 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.455 -0.212 0 N-CA-C 113.071 0.767 . . . . 0.0 113.071 -176.53 . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' A' A ' 98' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.455 -0.222 0 N-CA-C 111.843 0.312 . . . . 0.0 111.843 . . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 99' ' ' ARG . . . . . . . . . . . . . 3.0 mpt_? -109.7 173.16 6.45 Favored 'General case' 0 CA--C 1.522 -0.131 0 C-N-CA 123.994 0.918 . . . . 0.0 110.316 179.904 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 45.5 m -68.49 -11.19 59.48 Favored 'General case' 0 N--CA 1.453 -0.278 0 C-N-CA 123.387 0.675 . . . . 0.0 112.135 179.108 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 101' ' ' ALA . . . . . . . . . . . . . . . 52.69 13.41 0.33 Allowed 'General case' 0 CA--C 1.534 0.362 0 C-N-CA 124.316 1.046 . . . . 0.0 112.798 -175.317 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -148.13 7.24 0.8 Allowed 'General case' 0 CA--C 1.532 0.274 0 C-N-CA 123.943 0.897 . . . . 0.0 111.445 -179.742 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 13.0 pt-20 -90.05 -1.39 57.95 Favored 'General case' 0 CA--C 1.531 0.227 0 C-N-CA 123.172 0.589 . . . . 0.0 111.905 -176.732 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 104' ' ' MET . . . . . . . . . . . . . 25.3 ptp -127.19 9.69 6.77 Favored 'General case' 0 N--CA 1.455 -0.197 0 C-N-CA 123.315 0.646 . . . . 0.0 112.621 -175.123 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 105' ' ' TYR . . . . . . . . . . . . . 51.2 m-85 -122.09 -5.89 8.94 Favored 'General case' 0 C--N 1.333 -0.121 0 C-N-CA 122.741 0.416 . . . . 0.0 111.739 179.226 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 106' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--N 1.337 0.639 0 N-CA-C 111.809 -0.517 . . . . 0.0 111.809 179.339 . . . . . . . . 0 0 . 1 . 016 nuclear orig core ' A' A ' 4' ' ' ASN . . . . . . . . . . . . . 89.9 m-20 . . . . . 0 CA--C 1.531 0.218 0 N-CA-C 110.872 -0.047 . . . . 0.0 110.872 . . . . . . . . . 0 0 . 1 . 016 nuclear orig core ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 97.7 t -95.27 132.57 38.94 Favored 'Isoleucine or valine' 0 CA--C 1.521 -0.147 0 C-N-CA 122.861 0.464 . . . . 0.0 111.19 -174.752 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 74.6 p -147.86 12.32 0.99 Allowed 'General case' 0 C--O 1.226 -0.136 0 C-N-CA 123.554 0.742 . . . . 0.0 111.232 -178.259 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 7' ' ' ASN . . . . . . . . . . . . . 45.1 t30 . . . . . 0 CA--C 1.532 0.273 0 CA-C-N 118.718 0.69 . . . . 0.0 112.502 -174.654 . . . . . . . . 0 0 . 1 . 016 nuclear orig core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 77.5 p . . . . . 0 N--CA 1.455 -0.219 0 CA-C-O 120.351 0.12 . . . . 0.0 111.005 . . . . . . . . . 0 0 . 1 . 016 nuclear orig core ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 28.3 ttp-105 -101.42 153.56 19.57 Favored 'General case' 0 N--CA 1.456 -0.164 0 C-N-CA 123.52 0.728 . . . . 0.0 110.217 177.773 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 61.5 t -127.56 130.79 70.52 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.405 0 C-N-CA 123.189 0.596 . . . . 0.0 109.828 177.669 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 18.4 t80 -90.1 131.59 35.88 Favored 'General case' 0 N--CA 1.452 -0.349 0 C-N-CA 124.372 1.069 . . . . 0.0 109.145 175.559 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 57.1 mt -121.8 84.77 0.88 Allowed 'Isoleucine or valine' 0 CA--C 1.521 -0.143 0 N-CA-C 108.053 -1.092 . . . . 0.0 108.053 -179.965 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -86.65 175.36 47.18 Favored Glycine 0 CA--C 1.522 0.512 0 N-CA-C 111.308 -0.717 . . . . 0.0 111.308 178.365 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 6.6 t30 51.0 42.99 29.1 Favored 'General case' 0 CA--C 1.533 0.308 0 C-N-CA 123.095 0.558 . . . . 0.0 110.706 179.908 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 59.5 tp -97.56 146.72 24.99 Favored 'General case' 0 N--CA 1.455 -0.187 0 C-N-CA 123.731 0.812 . . . . 0.0 109.317 -179.459 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 63.7 t30 -68.86 -37.17 78.91 Favored 'General case' 0 CA--C 1.529 0.166 0 O-C-N 122.292 -0.255 . . . . 0.0 111.199 -177.972 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 63.0 p 51.17 9.13 0.05 Allowed 'General case' 0 N--CA 1.466 0.373 0 C-N-CA 126.335 1.854 . . . . 0.0 114.956 179.112 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 6.7 mp -102.44 -14.8 16.71 Favored 'General case' 0 CA--C 1.53 0.186 0 C-N-CA 123.707 0.803 . . . . 0.0 111.319 176.494 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 60.9 t -128.9 -21.66 1.54 Allowed 'Isoleucine or valine' 0 CA--C 1.528 0.115 0 C-N-CA 122.761 0.425 . . . . 0.0 110.479 178.977 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 90.5 t -101.89 136.76 32.39 Favored 'Isoleucine or valine' 0 C--N 1.34 0.17 0 N-CA-C 110.078 -0.341 . . . . 0.0 110.078 177.506 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 3.6 mppt? -130.32 172.04 12.28 Favored 'General case' 0 N--CA 1.456 -0.157 0 C-N-CA 124.255 1.022 . . . . 0.0 109.059 -179.363 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 6.0 ptmm? -64.89 -8.0 13.67 Favored 'General case' 0 CA--C 1.529 0.135 0 C-N-CA 123.529 0.732 . . . . 0.0 111.99 -179.804 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 31.9 m -96.06 -2.94 45.7 Favored 'General case' 0 CA--C 1.529 0.139 0 C-N-CA 123.213 0.605 . . . . 0.0 110.653 176.31 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 42.1 m-20 -110.64 -36.39 5.74 Favored 'General case' 0 N--CA 1.451 -0.411 0 C-N-CA 124.19 0.996 . . . . 0.0 109.682 178.552 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 92.9 t -62.19 -31.63 52.11 Favored 'Isoleucine or valine' 0 N--CA 1.456 -0.163 0 N-CA-C 109.757 -0.46 . . . . 0.0 109.757 178.083 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 23.5 pt-20 -79.33 4.97 13.65 Favored 'General case' 0 CA--C 1.531 0.238 0 N-CA-C 112.125 0.417 . . . . 0.0 112.125 178.744 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -124.87 -7.03 7.28 Favored 'General case' 0 N--CA 1.455 -0.19 0 C-N-CA 123.183 0.593 . . . . 0.0 111.054 177.22 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 76.5 mt -111.42 -27.91 2.71 Favored 'Isoleucine or valine' 0 N--CA 1.457 -0.091 0 C-N-CA 122.954 0.502 . . . . 0.0 110.989 179.338 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 37' ' ' PHE . . . . . . . . . . . . . 71.0 m-85 -104.87 -6.26 20.36 Favored 'General case' 0 N--CA 1.451 -0.409 0 C-N-CA 122.619 0.367 . . . . 0.0 111.202 179.215 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 23.8 t -77.24 -10.44 59.42 Favored 'General case' 0 CA--C 1.531 0.216 0 O-C-N 122.184 -0.322 . . . . 0.0 111.007 -179.869 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 13.5 ptmm? -84.09 -11.5 56.57 Favored 'General case' 0 CA--C 1.527 0.096 0 C-N-CA 122.979 0.512 . . . . 0.0 112.305 178.914 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 40' ' ' TYR . . . . . . . . . . . . . 64.0 m-85 -107.18 -15.56 14.63 Favored 'General case' 0 C--O 1.233 0.236 0 C-N-CA 122.409 0.284 . . . . 0.0 111.302 178.383 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -173.92 164.26 35.58 Favored Glycine 0 CA--C 1.523 0.534 0 N-CA-C 112.045 -0.422 . . . . 0.0 112.045 175.156 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 78.3 tttt -75.73 113.26 12.99 Favored 'General case' 0 N--CA 1.452 -0.332 0 N-CA-C 109.11 -0.7 . . . . 0.0 109.11 177.922 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 43' ' ' ILE . . . . . . . . . . . . . 73.7 mt -82.59 127.26 39.82 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.295 0 N-CA-C 109.722 -0.473 . . . . 0.0 109.722 -178.445 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 34.6 m -107.76 -12.04 10.58 Favored 'Isoleucine or valine' 0 C--O 1.23 0.045 0 C-N-CA 123.179 0.592 . . . . 0.0 110.523 179.546 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . -164.08 147.72 13.35 Favored Glycine 0 CA--C 1.523 0.561 0 N-CA-C 110.094 -1.203 . . . . 0.0 110.094 179.043 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 46' ' ' CYS . . . . . . . . . . . . . 31.9 p -153.6 149.05 27.2 Favored 'General case' 0 N--CA 1.452 -0.372 0 CA-C-N 116.959 0.379 . . . . 0.0 110.402 179.742 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 32.6 t -156.61 135.46 11.77 Favored 'General case' 0 N--CA 1.452 -0.374 0 N-CA-C 110.107 -0.331 . . . . 0.0 110.107 177.201 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 48' ' ' VAL . . . . . . . . . . . . . 80.1 t -110.78 148.01 14.47 Favored 'Isoleucine or valine' 0 N--CA 1.456 -0.174 0 N-CA-C 109.573 -0.529 . . . . 0.0 109.573 176.116 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 49' ' ' HIS . . . . . . . . . . . . . 54.9 m-70 -132.44 -164.83 1.51 Allowed 'General case' 0 N--CA 1.453 -0.279 0 N-CA-C 108.004 -1.11 . . . . 0.0 108.004 -178.103 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 75.4 mmtt -92.63 118.86 31.48 Favored 'General case' 0 N--CA 1.457 -0.123 0 N-CA-C 109.64 -0.504 . . . . 0.0 109.64 176.513 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 81.11 -8.85 56.6 Favored Glycine 0 CA--C 1.529 0.948 0 C-N-CA 123.681 0.658 . . . . 0.0 113.525 179.3 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 45.8 p90 -153.06 168.51 25.65 Favored 'General case' 0 C--N 1.339 0.136 0 CA-C-N 118.521 1.16 . . . . 0.0 111.556 178.252 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -147.69 171.84 15.01 Favored 'General case' 0 CA--C 1.53 0.21 0 C-N-CA 124.031 0.932 . . . . 0.0 110.032 176.748 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 54' ' ' PHE . . . . . . . . . . . . . 10.6 m-85 -139.57 145.25 38.38 Favored 'General case' 0 N--CA 1.453 -0.303 0 C-N-CA 123.89 0.876 . . . . 0.0 110.405 179.729 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 87.5 t -135.88 137.5 48.88 Favored 'Isoleucine or valine' 0 CA--C 1.517 -0.326 0 C-N-CA 123.592 0.757 . . . . 0.0 109.148 178.737 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 56' ' ' GLN . . . . . . . . . . . . . 63.0 tp60 -117.09 128.7 55.4 Favored 'General case' 0 N--CA 1.451 -0.394 0 N-CA-C 109.443 -0.576 . . . . 0.0 109.443 -176.907 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 57' ' ' TYR . . . . . . . . . . . . . 41.9 m-85 -110.85 177.2 4.74 Favored 'General case' 0 N--CA 1.455 -0.209 0 C-N-CA 123.533 0.733 . . . . 0.0 110.671 179.721 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 58' ' ' VAL . . . . . . . . . . . . . 53.3 t -73.33 -31.72 34.87 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.275 0 CA-C-N 116.367 -0.379 . . . . 0.0 110.561 178.188 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 59' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -153.64 168.58 25.74 Favored 'General case' 0 N--CA 1.453 -0.318 0 CA-C-O 121.395 0.616 . . . . 0.0 112.647 179.105 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 74.2 tt0 -59.83 -28.84 67.82 Favored 'General case' 0 CA--C 1.529 0.151 0 C-N-CA 124.354 1.061 . . . . 0.0 112.377 -177.415 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 26.3 tpt180 -63.03 -39.76 95.71 Favored 'General case' 0 C--N 1.339 0.11 0 CA-C-N 118.538 0.608 . . . . 0.0 110.159 179.217 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 62' ' ' ASN . . . . . . . . . . . . . 19.8 m120 -69.69 -27.13 64.75 Favored 'General case' 0 N--CA 1.451 -0.409 0 C-N-CA 120.648 -0.421 . . . . 0.0 110.762 -179.56 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -71.44 -40.58 70.29 Favored 'General case' 0 N--CA 1.453 -0.321 0 N-CA-C 110.164 -0.309 . . . . 0.0 110.164 178.628 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 64' ' ' ARG . . . . . . . . . . . . . 93.4 mtt-85 -72.75 -21.25 61.05 Favored 'General case' 0 CA--C 1.523 -0.087 0 C-N-CA 121.193 -0.203 . . . . 0.0 111.357 -178.118 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -78.88 -32.46 45.86 Favored 'General case' 0 N--CA 1.452 -0.331 0 N-CA-C 110.242 -0.281 . . . . 0.0 110.242 177.924 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -83.33 -33.73 25.83 Favored 'General case' 0 N--CA 1.454 -0.265 0 O-C-N 122.356 -0.215 . . . . 0.0 110.95 178.52 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 67' ' ' VAL . . . . . . . . . . . . . 49.0 t -65.39 -30.9 51.64 Favored 'Isoleucine or valine' 0 C--O 1.227 -0.104 0 N-CA-C 110.216 -0.29 . . . . 0.0 110.216 175.127 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -95.3 -10.73 29.37 Favored 'General case' 0 CA--C 1.53 0.202 0 N-CA-C 112.049 0.389 . . . . 0.0 112.049 177.934 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . -101.08 -13.56 33.4 Favored Glycine 0 CA--C 1.53 0.994 0 CA-C-O 119.208 -0.773 . . . . 0.0 113.814 -177.012 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 46.2 mm-40 -134.05 -19.07 2.02 Favored 'General case' 0 N--CA 1.463 0.185 0 CA-C-N 118.455 1.127 . . . . 0.0 112.545 -173.948 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 21.3 t70 -61.44 117.57 5.86 Favored 'General case' 0 C--O 1.233 0.193 0 O-C-N 121.193 -0.942 . . . . 0.0 110.336 178.628 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . 88.38 9.01 70.27 Favored Glycine 0 C--N 1.337 0.585 0 N-CA-C 111.11 -0.796 . . . . 0.0 111.11 179.283 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 73' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -75.36 169.75 17.44 Favored 'General case' 0 N--CA 1.45 -0.425 0 N-CA-C 106.457 -1.683 . . . . 0.0 106.457 172.229 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 74' ' ' MET . . . . . . . . . . . . . 31.4 ttm -114.94 121.97 44.83 Favored 'General case' 0 N--CA 1.448 -0.528 0 N-CA-C 109.388 -0.597 . . . . 0.0 109.388 -177.718 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 75' ' ' ILE . . . . . . . . . . . . . 0.2 OUTLIER -129.48 136.79 58.49 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.299 0 CA-C-N 115.982 -0.554 . . . . 0.0 109.934 179.956 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . 54.5 18.41 1.96 Allowed 'General case' 0 CA--C 1.53 0.192 0 C-N-CA 123.037 0.535 . . . . 0.0 112.081 -173.496 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 88.4 4.54 76.9 Favored Glycine 0 CA--C 1.525 0.658 0 CA-C-O 119.583 -0.565 . . . . 0.0 112.202 -178.858 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 78' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -125.46 135.07 51.94 Favored 'General case' 0 N--CA 1.451 -0.417 0 CA-C-N 117.923 0.862 . . . . 0.0 110.751 -179.712 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 79' ' ' VAL . . . . . . . . . . . . . 70.2 t -63.09 140.99 18.72 Favored 'Isoleucine or valine' 0 C--O 1.227 -0.117 0 C-N-CA 124.832 1.253 . . . . 0.0 111.099 -179.054 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 28.6 mt -96.54 157.33 15.95 Favored 'General case' 0 CA--C 1.527 0.094 0 CA-C-O 120.798 0.332 . . . . 0.0 111.437 175.762 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 81' ' ' ASP . . . . . . . . . . . . . 30.0 t70 -125.74 101.42 6.86 Favored 'General case' 0 N--CA 1.451 -0.388 0 N-CA-C 107.491 -1.3 . . . . 0.0 107.491 175.226 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 82' ' ' ILE . . . . . . . . . . . . . 63.3 mt -114.41 140.07 37.12 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.236 0 C-N-CA 123.238 0.615 . . . . 0.0 109.733 -169.906 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 83' ' ' ASN . . . . . . . . . . . . . 2.1 t30 -151.51 154.21 36.07 Favored 'General case' 0 N--CA 1.453 -0.278 0 C-N-CA 122.105 0.162 . . . . 0.0 111.037 -173.784 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 84' ' ' LEU . . . . . . . . . . . . . 1.4 tm? -60.32 129.85 43.7 Favored 'General case' 0 CA--C 1.531 0.241 0 N-CA-C 108.417 -0.957 . . . . 0.0 108.417 172.872 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.533 0.294 0 N-CA-C 114.328 1.233 . . . . 0.0 114.328 -171.845 . . . . . . . . 0 0 . 1 . 016 nuclear orig core ' A' A ' 98' ' ' LYS . . . . . . . . . . . . . 35.3 mmtp . . . . . 0 CA--C 1.529 0.153 0 N-CA-C 111.806 0.299 . . . . 0.0 111.806 . . . . . . . . . 0 0 . 1 . 016 nuclear orig core ' A' A ' 99' ' ' ARG . . . . . . . . . . . . . 32.7 ptt180 -129.01 173.89 10.03 Favored 'General case' 0 N--CA 1.458 -0.068 0 C-N-CA 124.022 0.929 . . . . 0.0 111.44 -179.286 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 75.2 m -61.72 -16.23 47.45 Favored 'General case' 0 N--CA 1.454 -0.247 0 C-N-CA 123.784 0.834 . . . . 0.0 111.576 176.864 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 101' ' ' ALA . . . . . . . . . . . . . . . 54.17 14.37 0.73 Allowed 'General case' 0 CA--C 1.537 0.475 0 C-N-CA 124.904 1.281 . . . . 0.0 112.354 -176.632 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -142.29 12.05 1.96 Allowed 'General case' 0 N--CA 1.453 -0.307 0 C-N-CA 123.92 0.888 . . . . 0.0 110.357 -179.864 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 20.4 pt-20 -67.89 -8.09 33.69 Favored 'General case' 0 CA--C 1.529 0.157 0 C-N-CA 123.1 0.56 . . . . 0.0 112.025 -177.25 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 104' ' ' MET . . . . . . . . . . . . . 70.6 mtm -103.18 0.84 32.32 Favored 'General case' 0 N--CA 1.453 -0.289 0 C-N-CA 123.564 0.746 . . . . 0.0 111.417 -178.643 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 105' ' ' TYR . . . . . . . . . . . . . 37.2 m-85 -133.24 1.67 3.51 Favored 'General case' 0 C--O 1.233 0.185 0 C-N-CA 122.726 0.41 . . . . 0.0 111.942 -176.677 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 106' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.526 0.735 0 N-CA-C 111.343 -0.703 . . . . 0.0 111.343 179.931 . . . . . . . . 0 0 . 1 . 017 nuclear orig core ' A' A ' 4' ' ' ASN . . . . . . . . . . . . . 52.3 t30 . . . . . 0 CA--C 1.532 0.283 0 N-CA-C 112.648 0.61 . . . . 0.0 112.648 . . . . . . . . . 0 0 . 1 . 017 nuclear orig core ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 87.5 t -136.57 135.35 49.05 Favored 'Isoleucine or valine' 0 C--N 1.338 0.091 0 N-CA-C 109.656 -0.498 . . . . 0.0 109.656 179.352 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 74.0 p -147.6 5.45 0.8 Allowed 'General case' 0 C--N 1.339 0.11 0 N-CA-C 112.274 0.472 . . . . 0.0 112.274 -177.847 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 7' ' ' ASN . . . . . . . . . . . . . 60.2 t-20 . . . . . 0 N--CA 1.454 -0.228 0 CA-C-N 119.012 0.824 . . . . 0.0 111.512 -176.185 . . . . . . . . 0 0 . 1 . 017 nuclear orig core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 78.3 p . . . . . 0 N--CA 1.454 -0.251 0 N-CA-C 111.305 0.113 . . . . 0.0 111.305 . . . . . . . . . 0 0 . 1 . 017 nuclear orig core ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 29.9 ttp-105 -102.67 152.99 20.56 Favored 'General case' 0 N--CA 1.456 -0.131 0 C-N-CA 123.335 0.654 . . . . 0.0 109.915 177.797 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 65.5 t -126.95 131.24 71.15 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.387 0 C-N-CA 123.017 0.527 . . . . 0.0 109.809 178.354 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 30.2 t80 -90.59 134.14 34.6 Favored 'General case' 0 N--CA 1.45 -0.432 0 CA-C-N 115.495 -0.775 . . . . 0.0 109.27 174.862 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 65.1 mt -121.05 85.92 0.97 Allowed 'Isoleucine or valine' 0 N--CA 1.456 -0.166 0 N-CA-C 107.923 -1.139 . . . . 0.0 107.923 -179.767 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -84.46 173.27 49.58 Favored Glycine 0 CA--C 1.523 0.592 0 N-CA-C 111.194 -0.763 . . . . 0.0 111.194 178.387 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 57.3 t30 48.23 48.23 18.86 Favored 'General case' 0 N--CA 1.455 -0.214 0 C-N-CA 123.489 0.716 . . . . 0.0 110.728 -178.437 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 52.2 tp -97.19 144.31 27.14 Favored 'General case' 0 N--CA 1.456 -0.16 0 C-N-CA 123.006 0.522 . . . . 0.0 109.635 179.175 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 63.4 t30 -68.12 -39.11 82.83 Favored 'General case' 0 C--N 1.34 0.16 0 C-N-CA 120.966 -0.294 . . . . 0.0 111.266 -178.473 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 35.5 p 54.63 3.24 0.05 OUTLIER 'General case' 0 N--CA 1.465 0.302 0 C-N-CA 126.28 1.832 . . . . 0.0 115.103 178.655 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 8.1 mp -95.74 -15.63 22.48 Favored 'General case' 0 N--CA 1.454 -0.225 0 C-N-CA 123.311 0.644 . . . . 0.0 111.503 176.284 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 60.1 t -128.15 -22.82 1.56 Allowed 'Isoleucine or valine' 0 N--CA 1.461 0.118 0 C-N-CA 122.815 0.446 . . . . 0.0 110.77 178.94 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 71.0 t -102.54 136.13 36.38 Favored 'Isoleucine or valine' 0 CA--C 1.522 -0.115 0 N-CA-C 109.97 -0.382 . . . . 0.0 109.97 178.396 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 3.6 mppt? -129.82 172.49 11.61 Favored 'General case' 0 N--CA 1.456 -0.148 0 C-N-CA 124.085 0.954 . . . . 0.0 109.413 -179.189 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 11.0 ptmt -66.25 -4.8 8.5 Favored 'General case' 0 C--N 1.333 -0.148 0 C-N-CA 123.696 0.798 . . . . 0.0 112.197 179.664 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 34.2 m -97.89 -0.97 44.01 Favored 'General case' 0 CA--C 1.53 0.2 0 C-N-CA 123.596 0.758 . . . . 0.0 110.732 174.451 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 38.5 m-20 -115.17 -34.63 4.95 Favored 'General case' 0 N--CA 1.453 -0.277 0 C-N-CA 124.015 0.926 . . . . 0.0 110.421 -179.573 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 94.0 t -65.33 -30.48 50.36 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.227 0 N-CA-C 108.917 -0.771 . . . . 0.0 108.917 179.844 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 25.7 pt-20 -80.21 7.06 10.15 Favored 'General case' 0 CA--C 1.531 0.226 0 C-N-CA 122.638 0.375 . . . . 0.0 111.927 178.623 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -125.48 -8.13 6.9 Favored 'General case' 0 CA--C 1.531 0.22 0 C-N-CA 123.222 0.609 . . . . 0.0 110.886 176.664 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 70.5 mt -109.57 -27.83 2.82 Favored 'Isoleucine or valine' 0 C--N 1.34 0.18 0 C-N-CA 123.141 0.577 . . . . 0.0 110.832 178.43 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 37' ' ' PHE . . . . . . . . . . . . . 64.2 m-85 -103.79 -5.48 22.4 Favored 'General case' 0 N--CA 1.455 -0.195 0 C-N-CA 122.587 0.355 . . . . 0.0 111.063 179.747 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 70.0 p -75.47 -14.83 60.45 Favored 'General case' 0 N--CA 1.457 -0.105 0 C-N-CA 122.51 0.324 . . . . 0.0 111.638 -179.985 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 18.6 ptmt -82.35 -11.28 58.68 Favored 'General case' 0 N--CA 1.457 -0.109 0 C-N-CA 123.198 0.599 . . . . 0.0 112.313 179.252 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 40' ' ' TYR . . . . . . . . . . . . . 74.5 m-85 -106.46 -14.55 15.04 Favored 'General case' 0 C--N 1.34 0.172 0 C-N-CA 122.524 0.33 . . . . 0.0 111.292 178.172 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -176.08 162.77 31.88 Favored Glycine 0 CA--C 1.523 0.584 0 N-CA-C 112.43 -0.268 . . . . 0.0 112.43 174.702 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 78.1 tttt -74.76 114.15 12.86 Favored 'General case' 0 N--CA 1.451 -0.381 0 N-CA-C 109.013 -0.736 . . . . 0.0 109.013 177.998 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 43' ' ' ILE . . . . . . . . . . . . . 77.8 mt -82.89 129.59 37.17 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.211 0 N-CA-C 109.848 -0.427 . . . . 0.0 109.848 -177.861 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 33.8 m -114.8 3.9 7.79 Favored 'Isoleucine or valine' 0 C--O 1.231 0.084 0 C-N-CA 123.902 0.881 . . . . 0.0 110.702 179.5 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . -178.72 145.42 6.78 Favored Glycine 0 C--N 1.336 0.536 0 N-CA-C 109.818 -1.313 . . . . 0.0 109.818 177.048 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 46' ' ' CYS . . . . . . . . . . . . . 53.9 t -156.28 146.17 21.16 Favored 'General case' 0 N--CA 1.452 -0.356 0 N-CA-C 109.503 -0.555 . . . . 0.0 109.503 178.23 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 24.4 t -154.37 142.66 20.48 Favored 'General case' 0 N--CA 1.451 -0.424 0 N-CA-C 109.836 -0.431 . . . . 0.0 109.836 175.446 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 48' ' ' VAL . . . . . . . . . . . . . 97.3 t -114.7 146.71 18.82 Favored 'Isoleucine or valine' 0 N--CA 1.456 -0.13 0 N-CA-C 109.176 -0.676 . . . . 0.0 109.176 178.109 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 49' ' ' HIS . . . . . . . . . . . . . 47.4 m-70 -132.59 -169.07 2.17 Favored 'General case' 0 N--CA 1.451 -0.422 0 C-N-CA 124.383 1.073 . . . . 0.0 108.26 -177.23 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 60.4 tttm -87.31 116.84 25.68 Favored 'General case' 0 N--CA 1.452 -0.343 0 C-N-CA 120.72 -0.392 . . . . 0.0 109.976 178.808 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 81.58 -9.93 53.15 Favored Glycine 0 CA--C 1.532 1.143 0 CA-C-O 118.907 -0.94 . . . . 0.0 113.537 179.174 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 52.5 p90 -151.01 168.41 24.67 Favored 'General case' 0 CA--C 1.529 0.166 0 CA-C-N 118.906 1.353 . . . . 0.0 111.404 179.077 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -147.77 172.07 14.68 Favored 'General case' 0 N--CA 1.454 -0.227 0 C-N-CA 123.739 0.816 . . . . 0.0 110.341 176.317 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 54' ' ' PHE . . . . . . . . . . . . . 16.5 m-85 -139.31 146.42 40.3 Favored 'General case' 0 N--CA 1.456 -0.172 0 C-N-CA 123.299 0.639 . . . . 0.0 110.948 179.23 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 93.2 t -136.21 136.23 49.38 Favored 'Isoleucine or valine' 0 CA--C 1.516 -0.346 0 C-N-CA 123.608 0.763 . . . . 0.0 109.126 178.179 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 56' ' ' GLN . . . . . . . . . . . . . 63.9 tp60 -115.66 129.47 56.5 Favored 'General case' 0 N--CA 1.45 -0.456 0 N-CA-C 109.168 -0.678 . . . . 0.0 109.168 -177.339 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 57' ' ' TYR . . . . . . . . . . . . . 38.0 m-85 -111.49 176.03 5.19 Favored 'General case' 0 N--CA 1.455 -0.206 0 C-N-CA 123.334 0.654 . . . . 0.0 110.894 179.642 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 58' ' ' VAL . . . . . . . . . . . . . 72.1 t -71.82 -31.53 41.52 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.193 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.448 178.787 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 59' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -155.56 169.3 24.6 Favored 'General case' 0 C--N 1.339 0.142 0 N-CA-C 112.405 0.52 . . . . 0.0 112.405 178.911 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 75.9 tt0 -59.58 -31.08 69.12 Favored 'General case' 0 N--CA 1.457 -0.117 0 C-N-CA 123.393 0.677 . . . . 0.0 112.103 -177.795 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 19.3 tpp180 -59.32 -39.14 82.15 Favored 'General case' 0 C--O 1.231 0.082 0 CA-C-N 118.92 0.782 . . . . 0.0 110.11 -179.553 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 62' ' ' ASN . . . . . . . . . . . . . 18.6 m120 -70.74 -25.49 62.94 Favored 'General case' 0 N--CA 1.452 -0.349 0 O-C-N 122.254 -0.279 . . . . 0.0 111.04 -179.968 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -74.54 -37.17 63.09 Favored 'General case' 0 N--CA 1.452 -0.372 0 N-CA-C 110.285 -0.265 . . . . 0.0 110.285 178.27 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 64' ' ' ARG . . . . . . . . . . . . . 37.2 mmt180 -69.28 -26.49 64.77 Favored 'General case' 0 C--O 1.227 -0.082 0 N-CA-C 110.515 -0.18 . . . . 0.0 110.515 178.899 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -78.7 -33.0 47.17 Favored 'General case' 0 N--CA 1.454 -0.239 0 C-N-CA 121.481 -0.088 . . . . 0.0 111.119 -179.275 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -83.31 -34.29 25.73 Favored 'General case' 0 N--CA 1.452 -0.353 0 O-C-N 122.221 -0.299 . . . . 0.0 111.536 179.418 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 67' ' ' VAL . . . . . . . . . . . . . 54.4 t -65.75 -31.47 53.91 Favored 'Isoleucine or valine' 0 C--O 1.227 -0.1 0 N-CA-C 109.794 -0.447 . . . . 0.0 109.794 175.483 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -94.1 -10.26 33.91 Favored 'General case' 0 CA--C 1.529 0.169 0 N-CA-C 112.414 0.524 . . . . 0.0 112.414 177.635 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . -102.63 -12.87 31.59 Favored Glycine 0 CA--C 1.533 1.204 0 CA-C-O 119.292 -0.727 . . . . 0.0 113.969 -177.401 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 25.5 mm-40 -134.16 -19.52 1.96 Allowed 'General case' 0 CA--C 1.53 0.199 0 CA-C-N 118.514 1.157 . . . . 0.0 112.32 -174.561 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 20.5 t70 -61.41 117.23 5.41 Favored 'General case' 0 N--CA 1.455 -0.214 0 CA-C-N 119.209 0.913 . . . . 0.0 110.039 178.23 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . 88.02 10.18 69.54 Favored Glycine 0 C--N 1.338 0.683 0 N-CA-C 111.012 -0.835 . . . . 0.0 111.012 178.826 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 73' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -76.78 168.44 20.08 Favored 'General case' 0 N--CA 1.449 -0.51 0 N-CA-C 106.359 -1.719 . . . . 0.0 106.359 171.848 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 74' ' ' MET . . . . . . . . . . . . . 33.7 ttm -113.48 121.91 45.7 Favored 'General case' 0 N--CA 1.448 -0.556 0 N-CA-C 109.477 -0.564 . . . . 0.0 109.477 -176.784 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 75' ' ' ILE . . . . . . . . . . . . . 0.3 OUTLIER -129.03 135.88 61.01 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.39 0 CA-C-N 116.111 -0.495 . . . . 0.0 109.85 179.918 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . 54.57 17.53 1.68 Allowed 'General case' 0 CA--C 1.536 0.425 0 N-CA-C 112.158 0.429 . . . . 0.0 112.158 -174.136 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 88.86 5.01 74.61 Favored Glycine 0 CA--C 1.528 0.872 0 CA-C-O 119.684 -0.509 . . . . 0.0 112.193 -179.122 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 78' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -124.49 132.03 53.49 Favored 'General case' 0 N--CA 1.45 -0.448 0 CA-C-N 117.864 0.832 . . . . 0.0 110.206 -179.192 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 79' ' ' VAL . . . . . . . . . . . . . 47.4 t -64.0 141.3 18.35 Favored 'Isoleucine or valine' 0 C--O 1.228 -0.068 0 C-N-CA 124.199 1.0 . . . . 0.0 110.41 -178.726 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 32.4 mt -95.65 156.18 16.43 Favored 'General case' 0 C--O 1.233 0.202 0 CA-C-O 120.648 0.261 . . . . 0.0 111.593 176.867 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 81' ' ' ASP . . . . . . . . . . . . . 4.3 m-20 -124.37 96.97 5.11 Favored 'General case' 0 N--CA 1.455 -0.217 0 N-CA-C 107.608 -1.256 . . . . 0.0 107.608 176.833 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 82' ' ' ILE . . . . . . . . . . . . . 63.9 mt -112.07 141.79 26.46 Favored 'Isoleucine or valine' 0 C--O 1.231 0.12 0 C-N-CA 123.467 0.707 . . . . 0.0 110.106 -170.268 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 83' ' ' ASN . . . . . . . . . . . . . 54.3 t30 -154.46 158.11 39.43 Favored 'General case' 0 N--CA 1.455 -0.212 0 CA-C-N 116.562 -0.29 . . . . 0.0 111.167 -175.334 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 84' ' ' LEU . . . . . . . . . . . . . 1.2 tm? -60.67 128.43 36.54 Favored 'General case' 0 N--CA 1.449 -0.49 0 N-CA-C 107.972 -1.121 . . . . 0.0 107.972 172.871 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.532 0.277 0 N-CA-C 114.302 1.223 . . . . 0.0 114.302 -172.063 . . . . . . . . 0 0 . 1 . 017 nuclear orig core ' A' A ' 98' ' ' LYS . . . . . . . . . . . . . 4.2 mptp? . . . . . 0 CA--C 1.53 0.197 0 N-CA-C 111.423 0.157 . . . . 0.0 111.423 . . . . . . . . . 0 0 . 1 . 017 nuclear orig core ' A' A ' 99' ' ' ARG . . . . . . . . . . . . . 63.2 mtt85 -120.75 170.35 9.53 Favored 'General case' 0 CA--C 1.52 -0.189 0 C-N-CA 123.946 0.898 . . . . 0.0 110.818 178.419 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 7.8 t -71.03 -11.78 61.16 Favored 'General case' 0 N--CA 1.453 -0.307 0 CA-C-N 115.968 -0.56 . . . . 0.0 111.497 -176.793 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 101' ' ' ALA . . . . . . . . . . . . . . . 55.02 9.31 0.3 Allowed 'General case' 0 CA--C 1.533 0.326 0 C-N-CA 124.458 1.103 . . . . 0.0 113.153 -175.064 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -148.32 8.19 0.81 Allowed 'General case' 0 CA--C 1.532 0.262 0 C-N-CA 123.469 0.708 . . . . 0.0 111.274 178.668 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 12.0 pt-20 -72.81 -5.53 38.67 Favored 'General case' 0 CA--C 1.528 0.134 0 C-N-CA 123.386 0.674 . . . . 0.0 112.369 -177.237 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 104' ' ' MET . . . . . . . . . . . . . 71.3 mtm -101.86 6.31 41.43 Favored 'General case' 0 N--CA 1.454 -0.254 0 C-N-CA 123.485 0.714 . . . . 0.0 111.118 178.84 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 105' ' ' TYR . . . . . . . . . . . . . 50.0 m-85 -133.87 4.8 3.58 Favored 'General case' 0 CA--C 1.532 0.265 0 C-N-CA 123.019 0.527 . . . . 0.0 111.381 -178.019 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 106' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.528 0.844 0 N-CA-C 111.01 -0.836 . . . . 0.0 111.01 179.833 . . . . . . . . 0 0 . 1 . 018 nuclear orig core ' A' A ' 4' ' ' ASN . . . . . . . . . . . . . 55.7 t30 . . . . . 0 CA--C 1.533 0.318 0 CA-C-O 120.598 0.237 . . . . 0.0 110.987 . . . . . . . . . 0 0 . 1 . 018 nuclear orig core ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 86.8 t -92.36 132.83 35.62 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.194 0 C-N-CA 122.855 0.462 . . . . 0.0 111.393 -175.322 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 56.7 p -146.53 5.54 0.93 Allowed 'General case' 0 C--O 1.227 -0.127 0 C-N-CA 123.62 0.768 . . . . 0.0 111.584 179.169 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 7' ' ' ASN . . . . . . . . . . . . . 64.8 t-20 . . . . . 0 N--CA 1.455 -0.182 0 CA-C-N 119.214 0.916 . . . . 0.0 110.927 -178.228 . . . . . . . . 0 0 . 1 . 018 nuclear orig core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 14.6 m . . . . . 0 N--CA 1.455 -0.183 0 N-CA-C 111.654 0.242 . . . . 0.0 111.654 . . . . . . . . . 0 0 . 1 . 018 nuclear orig core ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 27.7 ttp-105 -105.18 152.61 22.62 Favored 'General case' 0 C--N 1.338 0.093 0 C-N-CA 123.607 0.763 . . . . 0.0 110.375 -179.445 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 60.0 t -128.89 132.51 67.4 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.344 0 C-N-CA 123.214 0.606 . . . . 0.0 109.99 177.532 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 64.7 t80 -92.76 138.38 31.54 Favored 'General case' 0 N--CA 1.45 -0.458 0 C-N-CA 123.73 0.812 . . . . 0.0 109.61 174.114 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 57.8 mt -123.77 83.4 0.82 Allowed 'Isoleucine or valine' 0 N--CA 1.454 -0.228 0 N-CA-C 107.824 -1.176 . . . . 0.0 107.824 179.023 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -85.61 176.59 49.68 Favored Glycine 0 CA--C 1.524 0.615 0 N-CA-C 110.074 -1.211 . . . . 0.0 110.074 177.481 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 54.0 t30 48.81 46.45 21.8 Favored 'General case' 0 N--CA 1.45 -0.472 0 C-N-CA 123.282 0.633 . . . . 0.0 110.341 -176.678 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 57.2 tp -100.33 145.58 27.98 Favored 'General case' 0 N--CA 1.456 -0.155 0 C-N-CA 123.468 0.707 . . . . 0.0 109.554 -179.977 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 24' ' ' ASN . . . . . 0.418 ' C ' ' H ' ' A' ' 26' ' ' LEU . 65.0 t30 -71.45 -38.65 71.29 Favored 'General case' 0 CA--C 1.53 0.196 0 O-C-N 122.326 -0.234 . . . . 0.0 111.199 -177.294 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 46.9 p 53.99 -1.74 0.02 OUTLIER 'General case' 0 N--CA 1.467 0.402 0 C-N-CA 127.195 2.198 . . . . 0.0 115.339 178.725 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 26' ' ' LEU . . . . . 0.418 ' H ' ' C ' ' A' ' 24' ' ' ASN . 87.2 mt -87.27 -20.86 26.25 Favored 'General case' 0 N--CA 1.451 -0.394 0 C-N-CA 123.368 0.667 . . . . 0.0 111.743 175.064 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 60.6 t -121.66 -25.57 2.33 Favored 'Isoleucine or valine' 0 CA--C 1.528 0.117 0 CA-C-O 119.475 -0.297 . . . . 0.0 111.44 -179.158 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 49.6 t -101.64 145.6 11.33 Favored 'Isoleucine or valine' 0 N--CA 1.457 -0.077 0 CA-C-N 118.363 0.528 . . . . 0.0 110.246 178.979 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 8.2 mptt -134.88 173.14 12.03 Favored 'General case' 0 N--CA 1.46 0.031 0 C-N-CA 123.302 0.641 . . . . 0.0 110.154 -178.4 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 10.8 ptmt -68.1 -5.27 16.85 Favored 'General case' 0 CA--C 1.528 0.122 0 C-N-CA 123.443 0.697 . . . . 0.0 112.079 178.857 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 37.2 m -97.83 0.63 47.1 Favored 'General case' 0 C--N 1.332 -0.169 0 C-N-CA 123.734 0.814 . . . . 0.0 110.549 174.036 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 19.8 m-20 -117.93 -33.66 4.4 Favored 'General case' 0 N--CA 1.453 -0.323 0 C-N-CA 123.754 0.821 . . . . 0.0 110.486 179.983 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 85.9 t -64.69 -31.21 52.77 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.192 0 N-CA-C 108.938 -0.764 . . . . 0.0 108.938 178.695 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 25.9 pt-20 -79.65 7.83 7.68 Favored 'General case' 0 CA--C 1.532 0.266 0 N-CA-C 111.913 0.338 . . . . 0.0 111.913 178.381 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -126.09 -8.21 6.54 Favored 'General case' 0 N--CA 1.451 -0.382 0 C-N-CA 123.252 0.621 . . . . 0.0 110.715 176.736 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 77.9 mt -109.98 -27.68 2.83 Favored 'Isoleucine or valine' 0 CA--C 1.529 0.14 0 C-N-CA 123.311 0.644 . . . . 0.0 110.622 179.052 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 37' ' ' PHE . . . . . . . . . . . . . 60.8 m-85 -103.87 -5.79 22.0 Favored 'General case' 0 N--CA 1.454 -0.243 0 C-N-CA 122.808 0.443 . . . . 0.0 111.132 179.501 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 69.9 p -75.98 -13.73 60.24 Favored 'General case' 0 C--O 1.232 0.173 0 C-N-CA 122.457 0.303 . . . . 0.0 111.51 -179.976 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 13.1 ptmm? -83.64 -9.91 58.57 Favored 'General case' 0 CA--C 1.53 0.177 0 C-N-CA 123.124 0.569 . . . . 0.0 112.182 179.35 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 40' ' ' TYR . . . . . . . . . . . . . 84.0 m-85 -106.25 -14.89 14.99 Favored 'General case' 0 C--N 1.338 0.094 0 C-N-CA 122.718 0.407 . . . . 0.0 111.177 177.207 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -176.82 162.73 31.27 Favored Glycine 0 CA--C 1.524 0.595 0 N-CA-C 111.852 -0.499 . . . . 0.0 111.852 174.451 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 78.4 tttt -74.07 113.84 11.71 Favored 'General case' 0 N--CA 1.454 -0.231 0 N-CA-C 108.875 -0.787 . . . . 0.0 108.875 177.859 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 43' ' ' ILE . . . . . . . . . . . . . 73.1 mt -82.98 130.16 36.2 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.236 0 N-CA-C 109.87 -0.419 . . . . 0.0 109.87 -178.378 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 33.5 m -109.07 -5.28 10.86 Favored 'Isoleucine or valine' 0 N--CA 1.457 -0.082 0 C-N-CA 123.443 0.697 . . . . 0.0 110.907 179.302 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . -173.9 146.51 8.79 Favored Glycine 0 C--N 1.336 0.538 0 N-CA-C 109.884 -1.287 . . . . 0.0 109.884 177.097 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 46' ' ' CYS . . . . . . . . . . . . . 53.9 t -152.98 145.26 23.96 Favored 'General case' 0 N--CA 1.452 -0.369 0 C-N-CA 122.638 0.375 . . . . 0.0 110.086 179.404 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 27.1 t -151.41 142.6 23.24 Favored 'General case' 0 N--CA 1.45 -0.45 0 N-CA-C 109.867 -0.42 . . . . 0.0 109.867 176.676 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 48' ' ' VAL . . . . . . . . . . . . . 99.3 t -118.93 146.25 23.82 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.34 0 N-CA-C 108.881 -0.785 . . . . 0.0 108.881 177.92 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 49' ' ' HIS . . . . . . . . . . . . . 45.7 m-70 -132.13 -167.55 1.9 Allowed 'General case' 0 N--CA 1.452 -0.342 0 N-CA-C 107.901 -1.148 . . . . 0.0 107.901 -176.789 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 30.8 mmmt -85.47 117.63 24.5 Favored 'General case' 0 N--CA 1.455 -0.197 0 C-N-CA 120.326 -0.55 . . . . 0.0 109.674 177.257 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 79.51 -11.19 33.23 Favored Glycine 0 CA--C 1.532 1.13 0 C-N-CA 123.769 0.7 . . . . 0.0 113.898 177.769 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 49.8 p90 -146.66 165.56 29.21 Favored 'General case' 0 CA--C 1.529 0.158 0 CA-C-N 118.802 1.301 . . . . 0.0 111.584 178.83 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -147.71 171.04 16.27 Favored 'General case' 0 CA--C 1.53 0.184 0 C-N-CA 123.416 0.686 . . . . 0.0 110.8 177.374 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 54' ' ' PHE . . . . . . . . . . . . . 13.8 m-85 -139.14 147.93 42.55 Favored 'General case' 0 N--CA 1.454 -0.256 0 C-N-CA 123.987 0.915 . . . . 0.0 110.848 -179.647 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 97.7 t -137.99 138.09 44.05 Favored 'Isoleucine or valine' 0 CA--C 1.52 -0.188 0 C-N-CA 123.748 0.819 . . . . 0.0 109.11 177.819 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 56' ' ' GLN . . . . . . . . . . . . . 69.4 tp60 -117.88 132.3 56.44 Favored 'General case' 0 N--CA 1.452 -0.352 0 N-CA-C 109.096 -0.705 . . . . 0.0 109.096 -178.792 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 57' ' ' TYR . . . . . . . . . . . . . 42.8 m-85 -113.54 173.94 6.17 Favored 'General case' 0 N--CA 1.454 -0.242 0 C-N-CA 123.318 0.647 . . . . 0.0 111.129 -179.405 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 58' ' ' VAL . . . . . . . . . . . . . 74.2 t -70.28 -30.86 44.99 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.24 0 C-N-CA 123.02 0.528 . . . . 0.0 110.489 178.337 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 59' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -156.27 166.3 33.84 Favored 'General case' 0 N--CA 1.455 -0.189 0 CA-C-N 118.088 0.403 . . . . 0.0 112.019 177.024 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 83.5 tt0 -55.47 -32.09 62.52 Favored 'General case' 0 CA--C 1.529 0.171 0 C-N-CA 123.711 0.805 . . . . 0.0 112.575 -179.713 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 20.3 tpp85 -59.54 -38.19 80.4 Favored 'General case' 0 C--O 1.231 0.085 0 CA-C-N 119.008 0.822 . . . . 0.0 110.305 -179.108 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 62' ' ' ASN . . . . . . . . . . . . . 18.8 m120 -72.05 -25.0 61.62 Favored 'General case' 0 N--CA 1.451 -0.399 0 O-C-N 122.13 -0.356 . . . . 0.0 111.012 179.767 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -75.15 -37.26 61.39 Favored 'General case' 0 N--CA 1.453 -0.287 0 N-CA-C 110.069 -0.345 . . . . 0.0 110.069 178.136 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 64' ' ' ARG . . . . . . . . . . . . . 40.4 mmt180 -69.26 -26.33 64.71 Favored 'General case' 0 N--CA 1.457 -0.093 0 N-CA-C 110.157 -0.312 . . . . 0.0 110.157 178.758 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -78.15 -32.84 50.5 Favored 'General case' 0 N--CA 1.454 -0.248 0 CA-C-O 119.992 -0.051 . . . . 0.0 110.904 -179.431 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -83.03 -35.27 25.91 Favored 'General case' 0 N--CA 1.451 -0.418 0 O-C-N 122.197 -0.315 . . . . 0.0 111.489 179.114 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 67' ' ' VAL . . . . . . . . . . . . . 51.7 t -64.72 -30.49 50.43 Favored 'Isoleucine or valine' 0 C--O 1.227 -0.102 0 O-C-N 122.013 -0.429 . . . . 0.0 109.979 175.375 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -96.07 -9.49 30.74 Favored 'General case' 0 CA--C 1.531 0.213 0 N-CA-C 112.4 0.519 . . . . 0.0 112.4 178.027 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . -103.0 -13.74 28.44 Favored Glycine 0 CA--C 1.532 1.098 0 CA-C-O 119.308 -0.718 . . . . 0.0 113.744 -177.538 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 26.4 mm-40 -133.12 -18.85 2.27 Favored 'General case' 0 N--CA 1.465 0.286 0 CA-C-N 118.368 1.084 . . . . 0.0 112.318 -174.441 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 23.7 t70 -62.14 118.25 7.11 Favored 'General case' 0 N--CA 1.453 -0.275 0 CA-C-N 118.964 0.802 . . . . 0.0 109.653 178.485 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . 87.53 10.08 71.1 Favored Glycine 0 C--N 1.338 0.67 0 N-CA-C 111.101 -0.8 . . . . 0.0 111.101 179.235 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 73' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -76.93 168.34 20.26 Favored 'General case' 0 N--CA 1.45 -0.473 0 N-CA-C 106.328 -1.73 . . . . 0.0 106.328 171.628 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 74' ' ' MET . . . . . . . . . . . . . 35.9 ttm -114.18 121.87 45.08 Favored 'General case' 0 N--CA 1.45 -0.448 0 N-CA-C 109.263 -0.643 . . . . 0.0 109.263 -175.95 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 75' ' ' ILE . . . . . . . . . . . . . 0.2 OUTLIER -129.87 136.14 59.61 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.388 0 N-CA-C 109.539 -0.541 . . . . 0.0 109.539 179.624 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . 54.3 17.9 1.67 Allowed 'General case' 0 CA--C 1.533 0.319 0 C-N-CA 123.449 0.699 . . . . 0.0 111.91 -174.134 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 89.18 4.0 75.05 Favored Glycine 0 CA--C 1.526 0.765 0 C-N-CA 123.216 0.436 . . . . 0.0 112.066 -179.562 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 78' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -123.26 130.86 53.32 Favored 'General case' 0 N--CA 1.451 -0.392 0 CA-C-N 117.699 0.75 . . . . 0.0 109.905 -179.087 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 79' ' ' VAL . . . . . . . . . . . . . 48.1 t -63.6 139.87 20.59 Favored 'Isoleucine or valine' 0 CA--C 1.522 -0.102 0 C-N-CA 124.15 0.98 . . . . 0.0 110.278 -179.336 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 31.2 mt -94.22 155.72 16.9 Favored 'General case' 0 C--O 1.231 0.095 0 CA-C-O 120.846 0.355 . . . . 0.0 111.356 177.567 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 81' ' ' ASP . . . . . . . . . . . . . 27.9 m-20 -124.38 101.51 7.2 Favored 'General case' 0 N--CA 1.453 -0.314 0 N-CA-C 107.632 -1.247 . . . . 0.0 107.632 174.881 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 82' ' ' ILE . . . . . . . . . . . . . 61.4 mt -114.16 138.48 43.95 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.344 0 CA-C-N 115.537 -0.756 . . . . 0.0 109.454 -170.195 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 83' ' ' ASN . . . . . . . . . . . . . 8.1 t30 -155.53 158.61 38.75 Favored 'General case' 0 N--CA 1.454 -0.238 0 N-CA-C 109.427 -0.583 . . . . 0.0 109.427 -174.754 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 84' ' ' LEU . . . . . . . . . . . . . 7.1 tp -60.6 142.58 55.35 Favored 'General case' 0 N--CA 1.451 -0.408 0 N-CA-C 109.4 -0.592 . . . . 0.0 109.4 174.688 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.533 0.314 0 N-CA-C 113.732 1.012 . . . . 0.0 113.732 -175.861 . . . . . . . . 0 0 . 1 . 018 nuclear orig core ' A' A ' 98' ' ' LYS . . . . . 0.536 ' HA ' ' HE2' ' A' ' 98' ' ' LYS . 10.7 mmpt? . . . . . 0 CA--C 1.53 0.21 0 N-CA-C 112.481 0.549 . . . . 0.0 112.481 . . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 99' ' ' ARG . . . . . . . . . . . . . 10.9 tpt180 -147.38 171.08 16.03 Favored 'General case' 0 N--CA 1.456 -0.149 0 C-N-CA 123.486 0.714 . . . . 0.0 109.471 -177.954 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 73.8 m -63.01 -16.41 59.71 Favored 'General case' 0 CA--C 1.527 0.094 0 C-N-CA 123.17 0.588 . . . . 0.0 112.07 179.112 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 101' ' ' ALA . . . . . . . . . . . . . . . 51.8 16.67 0.52 Allowed 'General case' 0 CA--C 1.535 0.394 0 C-N-CA 123.91 0.884 . . . . 0.0 112.694 -176.493 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -148.68 8.33 0.77 Allowed 'General case' 0 N--CA 1.455 -0.198 0 C-N-CA 123.13 0.572 . . . . 0.0 111.609 -177.889 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 16.7 pt-20 -74.6 -2.91 28.11 Favored 'General case' 0 CA--C 1.531 0.24 0 N-CA-C 112.643 0.608 . . . . 0.0 112.643 -176.098 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 104' ' ' MET . . . . . . . . . . . . . 25.3 ptp -126.79 8.88 6.91 Favored 'General case' 0 CA--C 1.532 0.272 0 C-N-CA 123.145 0.578 . . . . 0.0 112.431 -176.894 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 105' ' ' TYR . . . . . . . . . . . . . 38.7 m-85 -124.26 -9.34 7.56 Favored 'General case' 0 CA--C 1.527 0.093 0 C-N-CA 122.64 0.376 . . . . 0.0 111.466 179.494 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 106' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.526 0.761 0 N-CA-C 111.468 -0.653 . . . . 0.0 111.468 179.337 . . . . . . . . 0 0 . 1 . 019 nuclear orig core ' A' A ' 4' ' ' ASN . . . . . . . . . . . . . 3.8 p-10 . . . . . 0 CA--C 1.531 0.239 0 N-CA-C 111.419 0.155 . . . . 0.0 111.419 . . . . . . . . . 0 0 . 1 . 019 nuclear orig core ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 99.6 t -97.55 135.91 30.25 Favored 'Isoleucine or valine' 0 C--O 1.232 0.149 0 C-N-CA 122.731 0.412 . . . . 0.0 111.25 -176.38 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 76.5 p -147.2 5.09 0.83 Allowed 'General case' 0 CA--C 1.53 0.21 0 C-N-CA 123.671 0.788 . . . . 0.0 111.47 179.191 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 7' ' ' ASN . . . . . . . . . . . . . 61.5 t-20 . . . . . 0 N--CA 1.454 -0.26 0 O-C-N 121.324 -0.86 . . . . 0.0 111.025 -177.391 . . . . . . . . 0 0 . 1 . 019 nuclear orig core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 77.8 p . . . . . 0 CA--C 1.53 0.196 0 N-CA-C 111.344 0.128 . . . . 0.0 111.344 . . . . . . . . . 0 0 . 1 . 019 nuclear orig core ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 30.9 ttp-105 -103.22 153.29 20.52 Favored 'General case' 0 N--CA 1.456 -0.135 0 C-N-CA 123.695 0.798 . . . . 0.0 109.971 177.945 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 83.3 t -129.3 131.27 67.67 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.442 0 C-N-CA 123.075 0.55 . . . . 0.0 110.017 178.509 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 53.7 t80 -89.37 138.36 31.51 Favored 'General case' 0 N--CA 1.45 -0.46 0 C-N-CA 123.523 0.729 . . . . 0.0 109.503 174.205 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 64.4 mt -124.16 85.86 0.99 Allowed 'Isoleucine or valine' 0 N--CA 1.454 -0.228 0 N-CA-C 107.745 -1.206 . . . . 0.0 107.745 179.534 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -85.69 173.26 47.25 Favored Glycine 0 CA--C 1.523 0.543 0 N-CA-C 110.278 -1.129 . . . . 0.0 110.278 177.672 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 47.9 t30 50.01 49.06 21.02 Favored 'General case' 0 N--CA 1.453 -0.321 0 C-N-CA 123.048 0.539 . . . . 0.0 110.369 -178.415 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 57.6 tp -101.57 144.95 29.68 Favored 'General case' 0 N--CA 1.453 -0.315 0 N-CA-C 109.279 -0.637 . . . . 0.0 109.279 178.733 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 63.5 t30 -70.15 -36.75 74.96 Favored 'General case' 0 N--CA 1.455 -0.187 0 O-C-N 122.191 -0.318 . . . . 0.0 111.463 -177.532 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 47.4 p 51.21 9.47 0.06 Allowed 'General case' 0 N--CA 1.464 0.261 0 C-N-CA 126.205 1.802 . . . . 0.0 115.229 179.003 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 3.4 mm? -104.16 -14.18 15.95 Favored 'General case' 0 N--CA 1.456 -0.162 0 C-N-CA 123.555 0.742 . . . . 0.0 110.963 176.18 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 60.0 t -127.78 -20.31 2.0 Favored 'Isoleucine or valine' 0 CA--C 1.53 0.187 0 C-N-CA 123.148 0.579 . . . . 0.0 110.421 178.799 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 57.3 t -106.86 143.54 17.41 Favored 'Isoleucine or valine' 0 C--N 1.34 0.182 0 N-CA-C 109.896 -0.409 . . . . 0.0 109.896 177.686 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -136.23 173.32 11.84 Favored 'General case' 0 N--CA 1.456 -0.155 0 C-N-CA 123.904 0.882 . . . . 0.0 109.78 -178.561 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 12.4 ptmt -65.11 -7.85 14.08 Favored 'General case' 0 CA--C 1.53 0.195 0 C-N-CA 123.723 0.809 . . . . 0.0 112.068 179.04 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 38.9 m -97.66 -0.67 45.18 Favored 'General case' 0 CA--C 1.529 0.157 0 C-N-CA 123.291 0.636 . . . . 0.0 110.972 175.927 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 25.5 m-20 -115.44 -34.9 4.77 Favored 'General case' 0 N--CA 1.452 -0.358 0 C-N-CA 124.222 1.009 . . . . 0.0 110.205 179.265 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 81.9 t -62.69 -32.06 54.28 Favored 'Isoleucine or valine' 0 N--CA 1.456 -0.155 0 N-CA-C 109.589 -0.522 . . . . 0.0 109.589 177.648 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 25.3 pt-20 -80.53 7.56 9.67 Favored 'General case' 0 CA--C 1.532 0.259 0 O-C-N 122.247 -0.283 . . . . 0.0 111.656 178.679 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -126.05 -7.03 6.59 Favored 'General case' 0 N--CA 1.455 -0.193 0 C-N-CA 123.176 0.59 . . . . 0.0 111.195 177.398 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 70.2 mt -110.91 -28.83 2.52 Favored 'Isoleucine or valine' 0 C--N 1.339 0.133 0 C-N-CA 122.929 0.491 . . . . 0.0 110.777 178.486 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 37' ' ' PHE . . . . . . . . . . . . . 67.4 m-85 -101.3 -8.72 21.85 Favored 'General case' 0 N--CA 1.453 -0.283 0 C-N-CA 122.738 0.415 . . . . 0.0 110.943 179.934 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 69.1 p -72.59 -14.22 61.57 Favored 'General case' 0 CA--C 1.527 0.062 0 C-N-CA 122.607 0.363 . . . . 0.0 111.674 -178.965 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 18.3 ptmt -83.74 -10.8 57.87 Favored 'General case' 0 CA--C 1.53 0.207 0 C-N-CA 123.041 0.536 . . . . 0.0 112.186 179.123 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 40' ' ' TYR . . . . . . . . . . . . . 76.6 m-85 -106.05 -15.24 14.94 Favored 'General case' 0 N--CA 1.461 0.102 0 C-N-CA 122.263 0.225 . . . . 0.0 111.195 177.781 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -175.78 161.29 29.96 Favored Glycine 0 C--N 1.336 0.579 0 N-CA-C 111.971 -0.452 . . . . 0.0 111.971 174.586 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 78.2 tttt -73.01 114.21 10.91 Favored 'General case' 0 N--CA 1.452 -0.339 0 N-CA-C 108.651 -0.87 . . . . 0.0 108.651 177.584 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 43' ' ' ILE . . . . . . . . . . . . . 78.4 mt -83.39 128.65 38.57 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.339 0 N-CA-C 109.88 -0.415 . . . . 0.0 109.88 -178.461 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 34.2 m -109.06 -9.11 11.29 Favored 'Isoleucine or valine' 0 C--N 1.335 -0.06 0 C-N-CA 123.244 0.618 . . . . 0.0 110.879 179.138 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . -167.95 148.71 13.11 Favored Glycine 0 C--N 1.338 0.639 0 N-CA-C 109.844 -1.302 . . . . 0.0 109.844 178.098 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 46' ' ' CYS . . . . . . . . . . . . . 20.8 p -151.45 152.75 33.46 Favored 'General case' 0 N--CA 1.45 -0.43 0 N-CA-C 109.859 -0.422 . . . . 0.0 109.859 179.165 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 31.9 t -158.46 135.36 9.75 Favored 'General case' 0 N--CA 1.452 -0.356 0 N-CA-C 109.778 -0.452 . . . . 0.0 109.778 176.188 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 48' ' ' VAL . . . . . . . . . . . . . 99.7 t -111.7 149.56 14.33 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.24 0 N-CA-C 109.218 -0.66 . . . . 0.0 109.218 176.418 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 49' ' ' HIS . . . . . . . . . . . . . 51.0 m-70 -135.17 -168.36 2.17 Favored 'General case' 0 N--CA 1.45 -0.452 0 N-CA-C 107.87 -1.159 . . . . 0.0 107.87 -178.72 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 75.4 mmtt -85.67 118.66 25.31 Favored 'General case' 0 N--CA 1.456 -0.153 0 N-CA-C 109.555 -0.535 . . . . 0.0 109.555 176.448 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 78.73 -13.37 18.23 Favored Glycine 0 CA--C 1.53 1.013 0 C-N-CA 123.584 0.612 . . . . 0.0 114.121 178.843 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 50.1 p90 -144.76 165.45 28.05 Favored 'General case' 0 CA--C 1.529 0.14 0 CA-C-N 118.881 1.34 . . . . 0.0 111.784 179.04 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -147.52 171.97 14.71 Favored 'General case' 0 CA--C 1.533 0.291 0 C-N-CA 123.577 0.751 . . . . 0.0 110.77 177.101 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 54' ' ' PHE . . . . . . . . . . . . . 13.7 m-85 -140.45 145.85 37.51 Favored 'General case' 0 N--CA 1.453 -0.305 0 C-N-CA 124.204 1.001 . . . . 0.0 110.739 -179.313 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 97.2 t -137.05 137.2 47.01 Favored 'Isoleucine or valine' 0 CA--C 1.518 -0.263 0 C-N-CA 123.744 0.818 . . . . 0.0 109.223 178.48 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 56' ' ' GLN . . . . . . . . . . . . . 62.0 tp60 -116.93 130.64 56.83 Favored 'General case' 0 N--CA 1.45 -0.463 0 N-CA-C 109.387 -0.598 . . . . 0.0 109.387 -177.185 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 57' ' ' TYR . . . . . 0.451 ' HH ' ' CB ' ' A' ' 66' ' ' ALA . 43.4 m-85 -111.7 176.62 4.95 Favored 'General case' 0 N--CA 1.454 -0.25 0 C-N-CA 123.596 0.758 . . . . 0.0 110.571 179.742 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 58' ' ' VAL . . . . . . . . . . . . . 77.7 t -72.28 -31.21 38.15 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.286 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.588 178.323 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 59' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -156.29 168.86 26.02 Favored 'General case' 0 C--N 1.341 0.206 0 N-CA-C 112.108 0.41 . . . . 0.0 112.108 178.986 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 76.4 tt0 -58.91 -31.03 68.27 Favored 'General case' 0 N--CA 1.457 -0.089 0 C-N-CA 123.415 0.686 . . . . 0.0 112.265 -178.403 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 19.3 tpp180 -59.38 -38.15 79.76 Favored 'General case' 0 CA--C 1.529 0.156 0 CA-C-N 118.913 0.779 . . . . 0.0 110.021 -179.612 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 62' ' ' ASN . . . . . . . . . . . . . 19.8 m120 -71.66 -24.96 61.93 Favored 'General case' 0 N--CA 1.451 -0.408 0 C-N-CA 120.925 -0.31 . . . . 0.0 111.2 179.215 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -75.71 -37.55 59.37 Favored 'General case' 0 N--CA 1.453 -0.315 0 O-C-N 122.18 -0.325 . . . . 0.0 110.286 178.412 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 64' ' ' ARG . . . . . . . . . . . . . 40.1 mmt180 -68.22 -27.43 66.37 Favored 'General case' 0 CA--C 1.523 -0.068 0 N-CA-C 109.959 -0.385 . . . . 0.0 109.959 178.67 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -77.46 -34.02 54.55 Favored 'General case' 0 N--CA 1.455 -0.223 0 CA-C-N 117.553 0.16 . . . . 0.0 110.674 -179.174 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 66' ' ' ALA . . . . . 0.451 ' CB ' ' HH ' ' A' ' 57' ' ' TYR . . . -82.87 -35.47 26.21 Favored 'General case' 0 N--CA 1.454 -0.255 0 O-C-N 122.106 -0.371 . . . . 0.0 111.597 179.705 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 67' ' ' VAL . . . . . . . . . . . . . 53.7 t -65.11 -30.39 50.19 Favored 'Isoleucine or valine' 0 C--N 1.334 -0.09 0 O-C-N 122.134 -0.354 . . . . 0.0 110.09 176.226 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -96.07 -9.73 30.14 Favored 'General case' 0 CA--C 1.531 0.234 0 N-CA-C 112.145 0.424 . . . . 0.0 112.145 177.521 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . -102.51 -12.8 32.07 Favored Glycine 0 CA--C 1.528 0.868 0 CA-C-O 119.288 -0.729 . . . . 0.0 113.649 -177.307 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 24.0 mm-40 -133.99 -19.21 2.02 Favored 'General case' 0 N--CA 1.462 0.161 0 CA-C-N 118.655 1.227 . . . . 0.0 112.248 -174.984 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 22.2 t70 -61.4 117.18 5.34 Favored 'General case' 0 N--CA 1.455 -0.185 0 CA-C-N 119.099 0.863 . . . . 0.0 109.993 178.419 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . 87.99 10.07 69.83 Favored Glycine 0 C--N 1.337 0.585 0 N-CA-C 110.996 -0.842 . . . . 0.0 110.996 178.938 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 73' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -76.47 168.59 19.8 Favored 'General case' 0 N--CA 1.451 -0.409 0 N-CA-C 106.346 -1.724 . . . . 0.0 106.346 171.419 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 74' ' ' MET . . . . . . . . . . . . . 34.3 ttm -113.96 121.49 44.08 Favored 'General case' 0 N--CA 1.45 -0.454 0 N-CA-C 109.069 -0.715 . . . . 0.0 109.069 -176.588 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 75' ' ' ILE . . . . . . . . . . . . . 0.2 OUTLIER -129.13 136.09 60.43 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.314 0 CA-C-N 116.043 -0.526 . . . . 0.0 109.717 179.526 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . 54.48 17.71 1.71 Allowed 'General case' 0 N--CA 1.453 -0.277 0 C-N-CA 123.375 0.67 . . . . 0.0 112.06 -173.973 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 89.13 4.57 74.36 Favored Glycine 0 CA--C 1.528 0.899 0 CA-C-O 119.577 -0.568 . . . . 0.0 111.949 -179.36 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 78' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -124.39 130.92 53.35 Favored 'General case' 0 N--CA 1.451 -0.396 0 CA-C-N 117.746 0.773 . . . . 0.0 110.372 -179.205 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 79' ' ' VAL . . . . . . . . . . . . . 45.8 t -63.29 140.21 20.02 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.186 0 C-N-CA 124.252 1.021 . . . . 0.0 110.484 -178.938 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 30.2 mt -94.54 155.43 16.92 Favored 'General case' 0 N--CA 1.456 -0.146 0 CA-C-O 120.661 0.267 . . . . 0.0 111.33 177.219 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 81' ' ' ASP . . . . . . . . . . . . . 38.3 m-20 -124.1 98.07 5.62 Favored 'General case' 0 N--CA 1.452 -0.368 0 N-CA-C 107.685 -1.228 . . . . 0.0 107.685 176.306 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 82' ' ' ILE . . . . . . . . . . . . . 63.2 mt -111.6 138.97 38.06 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.178 0 C-N-CA 123.509 0.724 . . . . 0.0 109.835 -170.248 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 83' ' ' ASN . . . . . . . . . . . . . 9.2 t30 -153.42 157.29 39.71 Favored 'General case' 0 N--CA 1.456 -0.166 0 N-CA-C 109.567 -0.531 . . . . 0.0 109.567 -175.034 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 84' ' ' LEU . . . . . . . . . . . . . 7.7 tp -61.21 138.79 58.22 Favored 'General case' 0 N--CA 1.451 -0.41 0 N-CA-C 109.393 -0.595 . . . . 0.0 109.393 174.981 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.532 0.26 0 N-CA-C 113.516 0.932 . . . . 0.0 113.516 -176.086 . . . . . . . . 0 0 . 1 . 019 nuclear orig core ' A' A ' 98' ' ' LYS . . . . . . . . . . . . . 90.7 mttt . . . . . 0 N--CA 1.46 0.059 0 CA-C-O 120.856 0.36 . . . . 0.0 110.781 . . . . . . . . . 0 0 . 1 . 019 nuclear orig core ' A' A ' 99' ' ' ARG . . . . . 0.501 ' HG3' ' H ' ' A' ' 100' ' ' SER . 2.2 tpm_? -103.49 178.27 4.6 Favored 'General case' 0 N--CA 1.455 -0.225 0 C-N-CA 124.903 1.281 . . . . 0.0 109.564 -179.63 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 100' ' ' SER . . . . . 0.501 ' H ' ' HG3' ' A' ' 99' ' ' ARG . 74.8 m -59.61 -19.61 50.21 Favored 'General case' 0 N--CA 1.455 -0.2 0 C-N-CA 123.401 0.68 . . . . 0.0 111.875 177.637 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 101' ' ' ALA . . . . . . . . . . . . . . . 52.38 18.81 0.99 Allowed 'General case' 0 CA--C 1.533 0.321 0 C-N-CA 124.045 0.938 . . . . 0.0 112.53 -177.668 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -149.83 7.91 0.65 Allowed 'General case' 0 CA--C 1.533 0.323 0 C-N-CA 123.491 0.716 . . . . 0.0 111.533 -178.074 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 10.7 pt-20 -81.55 -6.4 58.94 Favored 'General case' 0 CA--C 1.531 0.24 0 N-CA-C 112.52 0.563 . . . . 0.0 112.52 -175.644 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 104' ' ' MET . . . . . . . . . . . . . 24.9 ptp -131.88 11.57 4.73 Favored 'General case' 0 CA--C 1.528 0.133 0 N-CA-C 112.604 0.594 . . . . 0.0 112.604 -177.057 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 105' ' ' TYR . . . . . . . . . . . . . 74.6 m-85 -111.69 5.8 19.46 Favored 'General case' 0 CA--C 1.533 0.305 0 C-N-CA 123.106 0.562 . . . . 0.0 111.531 -179.085 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 106' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.523 0.589 0 N-CA-C 110.827 -0.909 . . . . 0.0 110.827 179.896 . . . . . . . . 0 0 . 1 . 020 nuclear orig core ' A' A ' 4' ' ' ASN . . . . . . . . . . . . . 67.3 t30 . . . . . 0 CA--C 1.534 0.354 0 N-CA-C 111.525 0.194 . . . . 0.0 111.525 . . . . . . . . . 0 0 . 1 . 020 nuclear orig core ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 87.0 t -91.35 130.42 40.55 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.223 0 C-N-CA 122.851 0.46 . . . . 0.0 110.909 -177.053 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 48.6 p -147.82 12.73 1.01 Allowed 'General case' 0 CA--C 1.532 0.254 0 C-N-CA 123.46 0.704 . . . . 0.0 111.876 -179.644 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 7' ' ' ASN . . . . . . . . . . . . . 60.8 t-20 . . . . . 0 CA--C 1.531 0.222 0 CA-C-N 119.11 0.868 . . . . 0.0 111.828 -178.391 . . . . . . . . 0 0 . 1 . 020 nuclear orig core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 79.1 p . . . . . 0 N--CA 1.455 -0.213 0 CA-C-O 120.635 0.255 . . . . 0.0 110.868 . . . . . . . . . 0 0 . 1 . 020 nuclear orig core ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 35.2 ttm180 -95.58 153.27 17.8 Favored 'General case' 0 C--O 1.233 0.189 0 C-N-CA 124.112 0.965 . . . . 0.0 110.042 -179.262 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 96.5 t -131.28 132.42 63.03 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.315 0 CA-C-O 120.915 0.388 . . . . 0.0 110.088 176.296 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 29.4 t80 -92.54 135.36 34.13 Favored 'General case' 0 N--CA 1.452 -0.353 0 CA-C-N 115.439 -0.8 . . . . 0.0 108.943 175.884 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 59.0 mt -122.68 83.61 0.82 Allowed 'Isoleucine or valine' 0 CA--C 1.523 -0.096 0 N-CA-C 107.979 -1.119 . . . . 0.0 107.979 -179.56 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -83.28 173.8 51.96 Favored Glycine 0 CA--C 1.524 0.644 0 N-CA-C 110.97 -0.852 . . . . 0.0 110.97 178.417 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 56.1 t30 48.58 49.12 18.94 Favored 'General case' 0 N--CA 1.454 -0.26 0 C-N-CA 123.264 0.626 . . . . 0.0 111.124 -178.257 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 55.8 tp -99.91 144.4 29.01 Favored 'General case' 0 CA--C 1.531 0.238 0 N-CA-C 109.195 -0.669 . . . . 0.0 109.195 179.868 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 24' ' ' ASN . . . . . 0.405 ' C ' ' H ' ' A' ' 26' ' ' LEU . 63.6 t30 -69.41 -36.48 76.76 Favored 'General case' 0 CA--C 1.53 0.192 0 O-C-N 122.257 -0.277 . . . . 0.0 111.223 -177.715 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 46.1 p 52.93 2.2 0.02 OUTLIER 'General case' 0 N--CA 1.466 0.328 0 C-N-CA 126.886 2.074 . . . . 0.0 115.363 178.971 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 26' ' ' LEU . . . . . 0.405 ' H ' ' C ' ' A' ' 24' ' ' ASN . 7.1 mp -96.16 -16.03 21.74 Favored 'General case' 0 N--CA 1.454 -0.239 0 C-N-CA 123.436 0.694 . . . . 0.0 111.23 177.027 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 57.4 t -125.99 -20.74 2.46 Favored 'Isoleucine or valine' 0 C--N 1.338 0.101 0 C-N-CA 122.728 0.411 . . . . 0.0 110.634 179.566 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 58.4 t -107.39 140.87 24.16 Favored 'Isoleucine or valine' 0 C--N 1.337 0.065 0 N-CA-C 109.777 -0.453 . . . . 0.0 109.777 177.216 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 2.5 mptp? -133.36 172.72 12.31 Favored 'General case' 0 C--N 1.337 0.041 0 C-N-CA 123.759 0.824 . . . . 0.0 109.655 -178.986 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 4.0 ptmm? -66.11 -5.54 10.26 Favored 'General case' 0 CA--C 1.528 0.118 0 C-N-CA 123.735 0.814 . . . . 0.0 112.104 179.544 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 35.7 m -98.18 -0.05 44.97 Favored 'General case' 0 CA--C 1.533 0.296 0 C-N-CA 123.597 0.759 . . . . 0.0 110.507 174.812 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 20.6 m-20 -117.02 -33.74 4.62 Favored 'General case' 0 N--CA 1.455 -0.218 0 C-N-CA 123.867 0.867 . . . . 0.0 110.452 -179.265 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 84.7 t -62.77 -32.4 55.6 Favored 'Isoleucine or valine' 0 N--CA 1.456 -0.142 0 N-CA-C 109.159 -0.682 . . . . 0.0 109.159 178.209 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 23.9 pt-20 -78.92 7.14 7.66 Favored 'General case' 0 CA--C 1.53 0.189 0 N-CA-C 112.124 0.416 . . . . 0.0 112.124 178.374 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -126.66 -7.31 6.23 Favored 'General case' 0 CA--C 1.531 0.248 0 C-N-CA 123.179 0.591 . . . . 0.0 111.03 177.74 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 74.3 mt -110.79 -27.67 2.8 Favored 'Isoleucine or valine' 0 C--O 1.232 0.135 0 C-N-CA 122.955 0.502 . . . . 0.0 110.562 178.836 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 37' ' ' PHE . . . . . . . . . . . . . 64.4 m-85 -102.67 -8.62 20.75 Favored 'General case' 0 N--CA 1.453 -0.28 0 C-N-CA 122.586 0.355 . . . . 0.0 111.106 179.515 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 66.0 p -72.87 -14.03 61.4 Favored 'General case' 0 C--N 1.338 0.106 0 C-N-CA 122.444 0.298 . . . . 0.0 111.589 -179.013 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 18.4 ptmt -83.23 -11.24 58.01 Favored 'General case' 0 CA--C 1.529 0.171 0 C-N-CA 123.361 0.664 . . . . 0.0 112.232 179.063 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 40' ' ' TYR . . . . . . . . . . . . . 78.8 m-85 -105.7 -15.05 15.07 Favored 'General case' 0 C--O 1.233 0.221 0 C-N-CA 122.475 0.31 . . . . 0.0 111.275 177.822 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -176.24 160.7 28.65 Favored Glycine 0 CA--C 1.522 0.507 0 N-CA-C 111.989 -0.444 . . . . 0.0 111.989 174.084 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 78.3 tttt -71.57 114.74 9.97 Favored 'General case' 0 N--CA 1.45 -0.451 0 N-CA-C 109.075 -0.713 . . . . 0.0 109.075 177.504 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 43' ' ' ILE . . . . . . . . . . . . . 74.3 mt -83.65 129.21 37.92 Favored 'Isoleucine or valine' 0 C--O 1.233 0.236 0 N-CA-C 109.688 -0.486 . . . . 0.0 109.688 -177.713 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 33.7 m -110.89 -5.08 11.15 Favored 'Isoleucine or valine' 0 CA--C 1.528 0.128 0 C-N-CA 123.303 0.641 . . . . 0.0 110.756 179.276 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . -167.43 144.11 8.74 Favored Glycine 0 CA--C 1.523 0.586 0 N-CA-C 109.687 -1.365 . . . . 0.0 109.687 177.388 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 46' ' ' CYS . . . . . . . . . . . . . 31.2 p -149.09 146.54 27.76 Favored 'General case' 0 N--CA 1.453 -0.301 0 CA-C-N 116.967 0.383 . . . . 0.0 110.089 -178.755 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 28.3 t -156.96 148.17 22.06 Favored 'General case' 0 N--CA 1.453 -0.303 0 N-CA-C 110.35 -0.241 . . . . 0.0 110.35 177.287 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 48' ' ' VAL . . . . . . . . . . . . . 92.8 t -125.82 147.09 30.62 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.206 0 N-CA-C 109.343 -0.614 . . . . 0.0 109.343 175.747 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 49' ' ' HIS . . . . . . . . . . . . . 56.1 m-70 -133.99 -166.87 1.86 Allowed 'General case' 0 N--CA 1.451 -0.393 0 C-N-CA 124.7 1.2 . . . . 0.0 107.944 -177.202 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 54.4 tttp -90.32 117.55 29.14 Favored 'General case' 0 N--CA 1.45 -0.456 0 C-N-CA 120.541 -0.464 . . . . 0.0 110.045 179.133 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 81.09 -6.34 63.4 Favored Glycine 0 CA--C 1.53 1.006 0 CA-C-O 119.538 -0.59 . . . . 0.0 113.678 179.48 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 51.2 p90 -155.56 170.9 20.92 Favored 'General case' 0 N--CA 1.456 -0.167 0 CA-C-N 118.548 1.174 . . . . 0.0 111.462 178.11 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -148.88 174.14 12.55 Favored 'General case' 0 N--CA 1.455 -0.188 0 C-N-CA 123.736 0.814 . . . . 0.0 110.444 177.434 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 54' ' ' PHE . . . . . . . . . . . . . 7.5 m-85 -141.02 148.22 39.91 Favored 'General case' 0 N--CA 1.454 -0.266 0 C-N-CA 123.572 0.749 . . . . 0.0 110.932 179.772 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 91.4 t -136.84 149.41 26.51 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.255 0 C-N-CA 124.166 0.986 . . . . 0.0 108.769 178.25 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 56' ' ' GLN . . . . . . . . . . . . . 58.3 tp60 -130.36 130.86 44.95 Favored 'General case' 0 N--CA 1.449 -0.519 0 N-CA-C 109.163 -0.68 . . . . 0.0 109.163 -178.77 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 57' ' ' TYR . . . . . 0.459 ' HH ' ' CB ' ' A' ' 66' ' ' ALA . 45.9 m-85 -112.47 177.75 4.53 Favored 'General case' 0 C--N 1.332 -0.184 0 C-N-CA 123.059 0.544 . . . . 0.0 110.752 -179.635 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 58' ' ' VAL . . . . . . . . . . . . . 53.7 t -72.45 -32.1 40.68 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.323 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.523 177.833 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 59' ' ' ASN . . . . . . . . . . . . . 0.0 OUTLIER -153.84 168.07 27.56 Favored 'General case' 0 N--CA 1.454 -0.268 0 N-CA-C 112.699 0.629 . . . . 0.0 112.699 178.99 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 86.3 tt0 -58.27 -30.66 66.76 Favored 'General case' 0 N--CA 1.454 -0.249 0 C-N-CA 123.963 0.905 . . . . 0.0 112.186 -178.165 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 19.3 tpp180 -60.81 -38.83 86.71 Favored 'General case' 0 C--N 1.338 0.105 0 CA-C-N 118.815 0.734 . . . . 0.0 110.239 179.96 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 62' ' ' ASN . . . . . . . . . . . . . 20.2 m120 -69.93 -25.6 63.74 Favored 'General case' 0 N--CA 1.452 -0.341 0 C-N-CA 120.854 -0.338 . . . . 0.0 110.987 179.831 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -74.22 -37.15 63.92 Favored 'General case' 0 N--CA 1.454 -0.241 0 N-CA-C 110.392 -0.225 . . . . 0.0 110.392 178.153 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 64' ' ' ARG . . . . . . . . . . . . . 35.1 mmt180 -69.0 -27.02 65.32 Favored 'General case' 0 CA--C 1.528 0.104 0 N-CA-C 110.239 -0.282 . . . . 0.0 110.239 179.178 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -78.27 -33.49 49.54 Favored 'General case' 0 N--CA 1.452 -0.366 0 O-C-N 122.512 -0.117 . . . . 0.0 111.255 -179.061 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 66' ' ' ALA . . . . . 0.459 ' CB ' ' HH ' ' A' ' 57' ' ' TYR . . . -83.46 -35.07 25.23 Favored 'General case' 0 N--CA 1.45 -0.43 0 O-C-N 122.192 -0.318 . . . . 0.0 111.566 179.188 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 67' ' ' VAL . . . . . . . . . . . . . 54.1 t -65.31 -30.83 51.44 Favored 'Isoleucine or valine' 0 CA--C 1.527 0.062 0 N-CA-C 109.859 -0.422 . . . . 0.0 109.859 175.971 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -95.33 -10.2 30.81 Favored 'General case' 0 CA--C 1.53 0.198 0 N-CA-C 112.31 0.485 . . . . 0.0 112.31 177.467 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . -102.0 -13.0 32.74 Favored Glycine 0 CA--C 1.528 0.88 0 CA-C-O 119.323 -0.709 . . . . 0.0 114.094 -177.72 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 25.6 mm-40 -133.55 -19.18 2.14 Favored 'General case' 0 N--CA 1.462 0.151 0 CA-C-N 118.497 1.148 . . . . 0.0 112.24 -175.242 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 22.9 t70 -61.69 117.7 6.15 Favored 'General case' 0 C--O 1.231 0.095 0 O-C-N 121.258 -0.901 . . . . 0.0 109.573 178.348 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . 87.21 10.3 71.62 Favored Glycine 0 C--N 1.336 0.58 0 N-CA-C 110.973 -0.851 . . . . 0.0 110.973 178.738 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 73' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -76.38 169.15 18.77 Favored 'General case' 0 N--CA 1.448 -0.539 0 N-CA-C 106.308 -1.738 . . . . 0.0 106.308 171.73 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 74' ' ' MET . . . . . . . . . . . . . 33.3 ttm -114.3 121.91 45.11 Favored 'General case' 0 N--CA 1.449 -0.506 0 N-CA-C 109.203 -0.665 . . . . 0.0 109.203 -176.895 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 75' ' ' ILE . . . . . . . . . . . . . 0.2 OUTLIER -129.45 135.79 60.81 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.435 0 N-CA-C 109.483 -0.562 . . . . 0.0 109.483 179.469 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . 54.67 17.95 1.89 Allowed 'General case' 0 N--CA 1.455 -0.218 0 C-N-CA 123.329 0.652 . . . . 0.0 112.184 -174.346 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 89.33 4.31 74.16 Favored Glycine 0 CA--C 1.529 0.955 0 CA-C-O 119.727 -0.485 . . . . 0.0 112.06 -179.402 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 78' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -124.58 131.47 53.48 Favored 'General case' 0 N--CA 1.45 -0.451 0 CA-C-N 117.598 0.699 . . . . 0.0 110.389 -179.19 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 79' ' ' VAL . . . . . . . . . . . . . 51.4 t -63.32 140.89 18.9 Favored 'Isoleucine or valine' 0 CA--C 1.522 -0.115 0 C-N-CA 124.379 1.072 . . . . 0.0 110.219 -178.747 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 29.6 mt -95.54 156.06 16.48 Favored 'General case' 0 C--N 1.337 0.052 0 CA-C-O 120.846 0.355 . . . . 0.0 111.292 176.957 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 81' ' ' ASP . . . . . . . . . . . . . 4.7 m-20 -125.06 99.63 6.2 Favored 'General case' 0 N--CA 1.455 -0.19 0 N-CA-C 107.677 -1.231 . . . . 0.0 107.677 176.665 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 82' ' ' ILE . . . . . . . . . . . . . 64.9 mt -113.31 140.56 32.85 Favored 'Isoleucine or valine' 0 C--N 1.333 -0.109 0 C-N-CA 123.704 0.801 . . . . 0.0 110.206 -170.113 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 83' ' ' ASN . . . . . . . . . . . . . 8.6 t30 -153.53 156.51 38.22 Favored 'General case' 0 CA--C 1.531 0.241 0 C-N-CA 122.33 0.252 . . . . 0.0 110.627 -175.097 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 84' ' ' LEU . . . . . . . . . . . . . 1.1 tm? -60.47 128.86 38.75 Favored 'General case' 0 N--CA 1.449 -0.505 0 N-CA-C 108.615 -0.883 . . . . 0.0 108.615 174.057 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.532 0.272 0 N-CA-C 114.673 1.36 . . . . 0.0 114.673 -173.171 . . . . . . . . 0 0 . 1 . 020 nuclear orig core ' A' A ' 98' ' ' LYS . . . . . . . . . . . . . 35.0 mmtp . . . . . 0 CA--C 1.529 0.14 0 N-CA-C 111.979 0.363 . . . . 0.0 111.979 . . . . . . . . . 0 0 . 1 . 020 nuclear orig core ' A' A ' 99' ' ' ARG . . . . . . . . . . . . . 2.4 mpp_? -115.83 167.54 10.85 Favored 'General case' 0 C--O 1.231 0.1 0 C-N-CA 124.034 0.933 . . . . 0.0 109.861 178.789 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 71.6 m -72.12 -8.6 55.56 Favored 'General case' 0 N--CA 1.454 -0.232 0 C-N-CA 122.789 0.436 . . . . 0.0 111.793 178.281 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 101' ' ' ALA . . . . . . . . . . . . . . . 52.28 15.46 0.46 Allowed 'General case' 0 CA--C 1.534 0.338 0 C-N-CA 124.194 0.998 . . . . 0.0 112.357 -173.739 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -150.85 15.6 0.75 Allowed 'General case' 0 CA--C 1.53 0.185 0 C-N-CA 123.694 0.798 . . . . 0.0 111.14 -178.217 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 16.2 pt-20 -69.43 -2.66 11.69 Favored 'General case' 0 CA--C 1.531 0.225 0 N-CA-C 112.779 0.659 . . . . 0.0 112.779 -175.576 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 104' ' ' MET . . . . . . . . . . . . . 73.7 mtm -109.04 8.54 26.23 Favored 'General case' 0 CA--C 1.53 0.183 0 C-N-CA 123.445 0.698 . . . . 0.0 111.215 178.016 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 105' ' ' TYR . . . . . . . . . . . . . 63.9 m-85 -133.83 2.27 3.4 Favored 'General case' 0 CA--C 1.531 0.246 0 C-N-CA 123.069 0.547 . . . . 0.0 111.816 -177.993 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 106' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--N 1.339 0.706 0 N-CA-C 111.586 -0.606 . . . . 0.0 111.586 179.622 . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.474 0.752 0 CA-C-O 120.528 0.204 . . . . 0.0 110.88 . . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 49.2 m -66.46 159.4 27.21 Favored 'General case' 0 N--CA 1.458 -0.071 0 C-N-CA 123.209 0.604 . . . . 0.0 111.32 -179.922 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 4' ' ' ASN . . . . . . . . . . . . . 58.9 t30 -87.62 0.54 55.51 Favored 'General case' 0 CA--C 1.533 0.312 0 C-N-CA 123.183 0.593 . . . . 0.0 111.081 -179.737 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 86.0 t -94.53 132.39 38.69 Favored 'Isoleucine or valine' 0 N--CA 1.457 -0.097 0 C-N-CA 122.907 0.483 . . . . 0.0 111.316 -175.649 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 76.0 p -150.88 6.33 0.52 Allowed 'General case' 0 C--O 1.224 -0.272 0 C-N-CA 123.85 0.86 . . . . 0.0 111.905 -178.065 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 7' ' ' ASN . . . . . . . . . . . . . 37.1 p30 -103.73 18.24 22.36 Favored 'General case' 0 CA--C 1.53 0.181 0 N-CA-C 114.244 1.201 . . . . 0.0 114.244 -172.986 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 55.1 mtmt -64.66 140.92 58.92 Favored 'General case' 0 N--CA 1.456 -0.148 0 O-C-N 122.086 -0.384 . . . . 0.0 110.048 177.932 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 73.3 p -112.42 15.23 20.3 Favored 'General case' 0 C--N 1.333 -0.143 0 N-CA-C 112.999 0.74 . . . . 0.0 112.999 -173.41 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 17.0 m-20 -63.29 152.31 85.1 Favored Pre-proline 0 CA--C 1.531 0.249 0 O-C-N 122.063 -0.398 . . . . 0.0 110.333 179.039 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 11' ' ' PRO . . . . . . . . . . . . . 61.0 Cg_endo -66.16 1.49 2.41 Favored 'Trans proline' 0 N--CA 1.459 -0.557 0 C-N-CA 123.984 3.123 . . . . 0.0 112.976 -175.13 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 2.6 tmm_? -127.41 -33.88 2.31 Favored 'General case' 0 CA--C 1.526 0.051 0 N-CA-C 109.467 -0.568 . . . . 0.0 109.467 176.584 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 50.6 m -73.18 -23.27 60.4 Favored 'General case' 0 C--N 1.333 -0.143 0 O-C-N 122.306 -0.246 . . . . 0.0 111.36 -177.657 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 14' ' ' MET . . . . . . . . . . . . . 14.5 ptm -91.78 -1.3 57.43 Favored 'General case' 0 N--CA 1.455 -0.22 0 CA-C-N 118.612 0.642 . . . . 0.0 111.902 176.375 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 68.5 m-80 -105.69 -22.19 13.02 Favored 'General case' 0 CA--C 1.529 0.159 0 C-N-CA 122.85 0.46 . . . . 0.0 110.363 174.785 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 80.4 p -85.91 6.02 30.32 Favored 'General case' 0 N--CA 1.456 -0.165 0 C-N-CA 122.565 0.346 . . . . 0.0 110.983 170.293 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 28.5 ttp-105 -101.14 153.42 19.6 Favored 'General case' 0 C--N 1.341 0.2 0 C-N-CA 123.387 0.675 . . . . 0.0 110.016 177.308 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 62.2 t -126.54 130.24 71.74 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.294 0 C-N-CA 123.289 0.636 . . . . 0.0 110.147 178.047 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 18.1 t80 -89.54 131.25 35.65 Favored 'General case' 0 N--CA 1.454 -0.264 0 C-N-CA 123.873 0.869 . . . . 0.0 109.192 174.979 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 55.8 mt -120.73 85.91 0.96 Allowed 'Isoleucine or valine' 0 N--CA 1.456 -0.164 0 N-CA-C 107.973 -1.121 . . . . 0.0 107.973 179.806 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -86.41 175.15 47.49 Favored Glycine 0 CA--C 1.526 0.765 0 N-CA-C 110.883 -0.887 . . . . 0.0 110.883 178.532 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 9.8 t30 51.15 41.71 27.96 Favored 'General case' 0 CA--C 1.533 0.291 0 C-N-CA 123.028 0.531 . . . . 0.0 110.916 179.229 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 56.0 tp -94.14 145.67 24.53 Favored 'General case' 0 N--CA 1.455 -0.202 0 C-N-CA 123.546 0.738 . . . . 0.0 109.862 -179.334 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 24' ' ' ASN . . . . . 0.418 ' C ' ' H ' ' A' ' 26' ' ' LEU . 64.0 t30 -69.94 -39.23 76.2 Favored 'General case' 0 CA--C 1.527 0.086 0 O-C-N 121.868 -0.52 . . . . 0.0 111.189 -178.903 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 30.9 p 56.59 -5.95 0.03 OUTLIER 'General case' 0 N--CA 1.466 0.358 0 C-N-CA 127.056 2.142 . . . . 0.0 115.457 179.37 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 26' ' ' LEU . . . . . 0.418 ' H ' ' C ' ' A' ' 24' ' ' ASN . 3.8 mm? -87.98 -16.45 33.72 Favored 'General case' 0 N--CA 1.454 -0.249 0 C-N-CA 123.186 0.594 . . . . 0.0 111.549 177.761 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 61.6 t -126.88 -18.37 2.68 Favored 'Isoleucine or valine' 0 C--O 1.231 0.111 0 C-N-CA 122.531 0.332 . . . . 0.0 110.57 179.562 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 60.8 t -111.2 135.09 51.45 Favored 'Isoleucine or valine' 0 C--O 1.231 0.125 0 O-C-N 122.099 -0.376 . . . . 0.0 110.34 177.569 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 3.9 mptp? -129.88 174.25 9.92 Favored 'General case' 0 CA--C 1.523 -0.064 0 C-N-CA 123.912 0.885 . . . . 0.0 109.855 -178.17 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 11.3 ptmt -65.5 -6.2 10.0 Favored 'General case' 0 CA--C 1.529 0.17 0 C-N-CA 123.777 0.831 . . . . 0.0 112.494 -179.485 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 43.8 m -98.58 0.47 44.96 Favored 'General case' 0 N--CA 1.455 -0.216 0 C-N-CA 123.343 0.657 . . . . 0.0 110.534 175.183 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 26.2 m-20 -117.19 -34.41 4.36 Favored 'General case' 0 N--CA 1.454 -0.27 0 C-N-CA 123.914 0.886 . . . . 0.0 110.743 -179.755 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 92.6 t -64.65 -31.32 53.2 Favored 'Isoleucine or valine' 0 CA--C 1.527 0.089 0 N-CA-C 109.107 -0.701 . . . . 0.0 109.107 178.894 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 25.5 pt-20 -79.52 7.26 8.5 Favored 'General case' 0 CA--C 1.53 0.201 0 C-N-CA 122.499 0.319 . . . . 0.0 111.719 178.63 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -125.07 -8.4 7.13 Favored 'General case' 0 CA--C 1.531 0.247 0 C-N-CA 123.337 0.655 . . . . 0.0 110.942 176.18 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 72.0 mt -108.96 -27.46 2.93 Favored 'Isoleucine or valine' 0 CA--C 1.531 0.214 0 C-N-CA 123.084 0.554 . . . . 0.0 111.068 178.704 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 37' ' ' PHE . . . . . . . . . . . . . 60.4 m-85 -103.55 -6.76 21.41 Favored 'General case' 0 CA--C 1.529 0.15 0 C-N-CA 122.797 0.439 . . . . 0.0 110.839 179.807 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 71.2 p -74.91 -13.96 60.6 Favored 'General case' 0 N--CA 1.457 -0.107 0 C-N-CA 122.561 0.345 . . . . 0.0 111.511 -179.732 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 18.6 ptmt -81.9 -11.52 58.87 Favored 'General case' 0 CA--C 1.531 0.24 0 C-N-CA 123.25 0.62 . . . . 0.0 112.094 179.554 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 40' ' ' TYR . . . . . . . . . . . . . 67.8 m-85 -106.48 -15.63 14.75 Favored 'General case' 0 CA--C 1.53 0.175 0 C-N-CA 122.416 0.286 . . . . 0.0 111.33 178.168 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -174.49 161.81 31.79 Favored Glycine 0 CA--C 1.521 0.453 0 N-CA-C 111.891 -0.484 . . . . 0.0 111.891 174.671 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 77.6 tttt -73.08 114.46 11.28 Favored 'General case' 0 N--CA 1.451 -0.409 0 N-CA-C 108.991 -0.744 . . . . 0.0 108.991 177.422 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 43' ' ' ILE . . . . . . . . . . . . . 77.9 mt -83.33 129.65 37.12 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.264 0 N-CA-C 109.509 -0.552 . . . . 0.0 109.509 -178.17 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 33.8 m -109.15 -4.89 10.79 Favored 'Isoleucine or valine' 0 CA--C 1.527 0.066 0 C-N-CA 123.073 0.549 . . . . 0.0 110.508 179.108 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . -173.1 147.76 9.9 Favored Glycine 0 C--N 1.337 0.612 0 N-CA-C 109.78 -1.328 . . . . 0.0 109.78 177.167 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 46' ' ' CYS . . . . . . . . . . . . . 50.6 t -152.56 145.8 24.7 Favored 'General case' 0 N--CA 1.452 -0.369 0 N-CA-C 109.913 -0.403 . . . . 0.0 109.913 179.338 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 91.7 p -149.14 146.99 27.94 Favored 'General case' 0 N--CA 1.451 -0.377 0 N-CA-C 109.755 -0.461 . . . . 0.0 109.755 177.29 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 48' ' ' VAL . . . . . . . . . . . . . 94.5 t -124.41 147.01 29.04 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.158 0 N-CA-C 109.158 -0.682 . . . . 0.0 109.158 175.628 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 49' ' ' HIS . . . . . . . . . . . . . 45.8 m-70 -136.25 -166.53 1.89 Allowed 'General case' 0 N--CA 1.449 -0.489 0 C-N-CA 124.239 1.016 . . . . 0.0 108.265 -176.042 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 75.5 mmtt -87.13 116.89 25.5 Favored 'General case' 0 C--O 1.232 0.145 0 CA-C-N 118.433 0.56 . . . . 0.0 110.035 177.441 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 80.81 -9.39 52.36 Favored Glycine 0 CA--C 1.53 0.987 0 C-N-CA 123.842 0.734 . . . . 0.0 113.608 178.088 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 50.6 p90 -149.96 168.19 24.52 Favored 'General case' 0 CA--C 1.53 0.174 0 CA-C-N 118.827 1.314 . . . . 0.0 111.672 178.795 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -148.51 170.75 17.36 Favored 'General case' 0 N--CA 1.455 -0.207 0 C-N-CA 123.865 0.866 . . . . 0.0 110.129 176.403 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 54' ' ' PHE . . . . . . . . . . . . . 21.7 m-85 -138.24 145.98 42.01 Favored 'General case' 0 N--CA 1.453 -0.284 0 C-N-CA 123.762 0.825 . . . . 0.0 110.4 179.268 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 96.6 t -134.81 136.65 51.95 Favored 'Isoleucine or valine' 0 CA--C 1.518 -0.251 0 N-CA-C 108.834 -0.802 . . . . 0.0 108.834 177.813 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 56' ' ' GLN . . . . . . . . . . . . . 61.1 tp60 -116.16 128.33 55.54 Favored 'General case' 0 N--CA 1.449 -0.507 0 N-CA-C 109.307 -0.627 . . . . 0.0 109.307 -176.675 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 57' ' ' TYR . . . . . . . . . . . . . 37.7 m-85 -111.69 175.97 5.21 Favored 'General case' 0 N--CA 1.454 -0.246 0 C-N-CA 123.473 0.709 . . . . 0.0 110.907 -179.706 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 58' ' ' VAL . . . . . . . . . . . . . 79.4 t -72.68 -29.98 32.02 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.251 0 CA-C-N 115.982 -0.553 . . . . 0.0 110.486 179.056 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 59' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -156.89 169.33 25.02 Favored 'General case' 0 N--CA 1.455 -0.224 0 N-CA-C 112.257 0.465 . . . . 0.0 112.257 177.901 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 61.5 tt0 -58.96 -31.61 68.88 Favored 'General case' 0 N--CA 1.455 -0.184 0 C-N-CA 123.263 0.625 . . . . 0.0 111.969 -178.173 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 19.2 tpp180 -59.48 -38.72 81.59 Favored 'General case' 0 N--CA 1.462 0.138 0 CA-C-N 118.941 0.791 . . . . 0.0 110.227 -179.187 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 62' ' ' ASN . . . . . . . . . . . . . 19.1 m120 -70.52 -25.8 63.29 Favored 'General case' 0 N--CA 1.452 -0.364 0 C-N-CA 120.877 -0.329 . . . . 0.0 110.862 179.881 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -74.99 -35.36 62.03 Favored 'General case' 0 N--CA 1.454 -0.259 0 N-CA-C 110.029 -0.36 . . . . 0.0 110.029 178.365 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 64' ' ' ARG . . . . . . . . . . . . . 38.8 mmt180 -69.38 -27.33 65.22 Favored 'General case' 0 N--CA 1.462 0.15 0 N-CA-C 110.261 -0.274 . . . . 0.0 110.261 178.585 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -78.35 -32.7 49.22 Favored 'General case' 0 N--CA 1.454 -0.253 0 O-C-N 122.545 -0.097 . . . . 0.0 110.855 -178.895 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -83.84 -34.5 24.65 Favored 'General case' 0 N--CA 1.454 -0.249 0 O-C-N 122.239 -0.288 . . . . 0.0 111.574 179.736 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 67' ' ' VAL . . . . . . . . . . . . . 48.4 t -65.38 -31.53 54.25 Favored 'Isoleucine or valine' 0 N--CA 1.457 -0.094 0 N-CA-C 110.003 -0.369 . . . . 0.0 110.003 175.479 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -95.26 -9.38 33.34 Favored 'General case' 0 CA--C 1.53 0.185 0 N-CA-C 112.189 0.44 . . . . 0.0 112.189 177.901 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . -102.0 -14.59 28.49 Favored Glycine 0 CA--C 1.53 0.97 0 CA-C-O 119.302 -0.721 . . . . 0.0 113.972 -178.082 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 43.1 mm-40 -132.38 -19.3 2.46 Favored 'General case' 0 CA--C 1.528 0.124 0 CA-C-N 118.559 1.179 . . . . 0.0 112.394 -173.939 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 20.7 t70 -61.47 118.16 6.64 Favored 'General case' 0 N--CA 1.455 -0.22 0 O-C-N 121.076 -1.015 . . . . 0.0 109.649 178.252 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . 87.67 9.69 71.39 Favored Glycine 0 C--N 1.338 0.641 0 N-CA-C 111.311 -0.716 . . . . 0.0 111.311 179.064 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 73' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -75.91 169.53 17.97 Favored 'General case' 0 N--CA 1.451 -0.397 0 N-CA-C 106.604 -1.628 . . . . 0.0 106.604 171.83 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 74' ' ' MET . . . . . . . . . . . . . 31.6 ttm -115.21 120.26 39.12 Favored 'General case' 0 N--CA 1.449 -0.497 0 N-CA-C 108.885 -0.783 . . . . 0.0 108.885 -176.734 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 75' ' ' ILE . . . . . . . . . . . . . 0.2 OUTLIER -127.35 136.23 61.17 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.418 0 N-CA-C 109.556 -0.535 . . . . 0.0 109.556 179.594 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . 54.46 18.77 2.07 Favored 'General case' 0 CA--C 1.533 0.309 0 C-N-CA 123.416 0.686 . . . . 0.0 111.872 -174.256 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 88.33 5.58 75.66 Favored Glycine 0 CA--C 1.528 0.861 0 CA-C-O 119.848 -0.418 . . . . 0.0 112.163 -179.22 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 78' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -126.07 134.28 51.44 Favored 'General case' 0 N--CA 1.452 -0.332 0 CA-C-N 117.861 0.83 . . . . 0.0 110.419 -179.832 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 79' ' ' VAL . . . . . . . . . . . . . 76.6 t -63.12 141.78 17.66 Favored 'Isoleucine or valine' 0 N--CA 1.461 0.101 0 C-N-CA 124.46 1.104 . . . . 0.0 110.98 -178.919 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 30.3 mt -97.16 155.7 16.72 Favored 'General case' 0 N--CA 1.456 -0.132 0 CA-C-O 120.81 0.338 . . . . 0.0 111.226 175.829 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 81' ' ' ASP . . . . . . . . . . . . . 36.9 t70 -122.75 102.94 8.33 Favored 'General case' 0 N--CA 1.454 -0.246 0 N-CA-C 107.584 -1.265 . . . . 0.0 107.584 173.981 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 82' ' ' ILE . . . . . . . . . . . . . 59.4 mt -116.45 139.37 43.52 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.189 0 CA-C-N 115.942 -0.572 . . . . 0.0 110.142 -170.739 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 83' ' ' ASN . . . . . . . . . . . . . 2.9 t30 -155.26 161.59 41.1 Favored 'General case' 0 N--CA 1.452 -0.365 0 C-N-CA 122.818 0.447 . . . . 0.0 109.915 -175.255 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 84' ' ' LEU . . . . . . . . . . . . . 6.1 tp -60.12 146.44 43.18 Favored 'General case' 0 N--CA 1.452 -0.367 0 N-CA-C 109.141 -0.688 . . . . 0.0 109.141 173.704 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . -76.87 2.38 14.77 Favored 'General case' 0 CA--C 1.534 0.337 0 N-CA-C 113.24 0.83 . . . . 0.0 113.24 -177.739 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . -134.83 2.58 3.15 Favored 'General case' 0 CA--C 1.531 0.218 0 CA-C-N 118.84 0.745 . . . . 0.0 112.892 -176.684 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 77.7 mt-10 -140.19 61.97 19.01 Favored Pre-proline 0 CA--C 1.529 0.159 0 C-N-CA 122.783 0.433 . . . . 0.0 110.042 -179.868 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 88' ' ' PRO . . . . . . . . . . . . . 37.5 Cg_endo -58.93 142.23 99.0 Favored 'Trans proline' 0 N--CA 1.452 -0.97 0 C-N-CA 123.294 2.663 . . . . 0.0 109.61 -178.027 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 89' ' ' LYS . . . . . 0.461 ' HG3' ' H ' ' A' ' 90' ' ' VAL . 13.1 ptpt -59.48 -79.81 0.02 OUTLIER 'General case' 0 CA--C 1.528 0.114 0 C-N-CA 124.289 1.036 . . . . 0.0 112.384 -171.914 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 90' ' ' VAL . . . . . 0.461 ' H ' ' HG3' ' A' ' 89' ' ' LYS . 87.6 t -147.61 -41.0 0.1 Allowed 'Isoleucine or valine' 0 C--N 1.337 0.043 0 N-CA-C 109.337 -0.616 . . . . 0.0 109.337 179.161 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 91' ' ' ASN . . . . . . . . . . . . . 62.6 m-80 -124.48 166.17 16.5 Favored 'General case' 0 N--CA 1.449 -0.499 0 N-CA-C 108.99 -0.744 . . . . 0.0 108.99 178.721 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 92' ' ' ARG . . . . . . . . . . . . . 11.4 ttm180 -140.32 -53.03 0.5 Allowed 'General case' 0 N--CA 1.456 -0.158 0 C-N-CA 122.12 0.168 . . . . 0.0 110.657 179.267 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 93' ' ' GLY . . . . . 0.417 ' C ' ' H ' ' A' ' 95' ' ' ALA . . . -69.88 124.21 14.24 Favored Glycine 0 C--N 1.335 0.476 0 N-CA-C 112.511 -0.236 . . . . 0.0 112.511 -173.108 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 29.9 ttpt 55.78 -9.6 0.02 OUTLIER 'General case' 0 CA--C 1.531 0.232 0 C-N-CA 126.755 2.022 . . . . 0.0 115.348 177.545 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 95' ' ' ALA . . . . . 0.417 ' H ' ' C ' ' A' ' 93' ' ' GLY . . . -158.05 159.63 36.55 Favored 'General case' 0 N--CA 1.449 -0.48 0 CA-C-N 118.805 0.73 . . . . 0.0 111.667 -178.379 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . -174.43 11.25 0.03 OUTLIER Glycine 0 CA--C 1.525 0.701 0 CA-C-O 119.697 -0.502 . . . . 0.0 113.284 -179.583 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 97' ' ' VAL . . . . . . . . . . . . . 13.7 p -132.42 137.74 53.7 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.222 0 CA-C-N 118.351 1.076 . . . . 0.0 110.182 179.695 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 98' ' ' LYS . . . . . . . . . . . . . 35.5 mmtp -122.96 14.02 9.86 Favored 'General case' 0 CA--C 1.529 0.171 0 C-N-CA 123.799 0.84 . . . . 0.0 110.956 179.675 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 99' ' ' ARG . . . . . 0.425 ' HG3' ' H ' ' A' ' 100' ' ' SER . 19.9 tpt180 -100.59 177.77 4.91 Favored 'General case' 0 C--N 1.333 -0.117 0 C-N-CA 124.25 1.02 . . . . 0.0 109.124 -179.632 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 100' ' ' SER . . . . . 0.425 ' H ' ' HG3' ' A' ' 99' ' ' ARG . 69.3 m -59.94 -18.27 43.94 Favored 'General case' 0 N--CA 1.455 -0.215 0 C-N-CA 122.939 0.496 . . . . 0.0 111.962 177.83 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 101' ' ' ALA . . . . . . . . . . . . . . . 52.13 17.72 0.74 Allowed 'General case' 0 CA--C 1.534 0.349 0 C-N-CA 124.084 0.954 . . . . 0.0 112.242 -177.213 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -148.16 7.95 0.82 Allowed 'General case' 0 N--CA 1.452 -0.327 0 C-N-CA 123.492 0.717 . . . . 0.0 111.45 -177.925 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 18.7 pt-20 -71.64 -6.15 38.87 Favored 'General case' 0 CA--C 1.532 0.251 0 N-CA-C 111.922 0.342 . . . . 0.0 111.922 -177.57 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 104' ' ' MET . . . . . . . . . . . . . 72.7 mtm -103.74 6.65 36.97 Favored 'General case' 0 CA--C 1.529 0.163 0 C-N-CA 123.846 0.858 . . . . 0.0 111.135 178.356 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 105' ' ' TYR . . . . . . . . . . . . . 60.3 m-85 -129.0 5.15 5.35 Favored 'General case' 0 CA--C 1.532 0.276 0 C-N-CA 123.171 0.588 . . . . 0.0 111.245 -177.675 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 106' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--N 1.336 0.555 0 N-CA-C 110.948 -0.861 . . . . 0.0 110.948 -179.719 . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' B' B ' 1' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.424 -2.438 0 O4'-C1'-N19 111.281 3.081 . 0.0 '__' . 0.0 . . . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' B' B ' 2' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.42 -2.743 1 O4'-C1'-N19 113.147 4.947 . 0.063 4b . 0.0 . . . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 3' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.42 -2.713 0 C5'-C4'-C3' 111.818 -2.455 . 0.188 0b . 0.0 . . . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' B' B ' 4' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.42 -2.726 1 O4'-C1'-N19 112.609 4.409 . 0.164 4b . 0.0 . . . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 5' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.418 -2.913 1 O4'-C1'-N19 112.643 4.443 . 0.571 2h . 0.0 . . . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.472 0.669 0 CA-C-O 120.339 0.114 . . . . 0.0 110.903 . . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 38.9 t -70.64 162.27 29.25 Favored 'General case' 0 N--CA 1.457 -0.12 0 C-N-CA 122.498 0.319 . . . . 0.0 110.512 177.757 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 4' ' ' ASN . . . . . . . . . . . . . 3.4 p-10 -89.87 2.83 54.52 Favored 'General case' 0 CA--C 1.532 0.257 0 C-N-CA 122.554 0.342 . . . . 0.0 111.307 178.608 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 90.5 t -99.79 136.18 32.14 Favored 'Isoleucine or valine' 0 C--O 1.233 0.213 0 C-N-CA 122.839 0.455 . . . . 0.0 111.117 -176.02 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 67.6 p -149.02 7.72 0.72 Allowed 'General case' 0 CA--C 1.529 0.147 0 C-N-CA 123.546 0.739 . . . . 0.0 111.955 -178.261 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 7' ' ' ASN . . . . . . . . . . . . . 45.4 t30 -106.92 34.44 3.45 Favored 'General case' 0 CA--C 1.534 0.342 0 O-C-N 121.171 -0.956 . . . . 0.0 112.715 -173.935 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 56.4 mtmt -75.88 134.91 40.17 Favored 'General case' 0 N--CA 1.456 -0.136 0 N-CA-C 108.974 -0.75 . . . . 0.0 108.974 175.622 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 71.6 p -110.64 15.95 21.72 Favored 'General case' 0 C--N 1.333 -0.125 0 N-CA-C 112.782 0.66 . . . . 0.0 112.782 -173.911 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 10.6 m-20 -64.27 152.69 87.9 Favored Pre-proline 0 CA--C 1.531 0.215 0 N-CA-C 109.964 -0.384 . . . . 0.0 109.964 177.948 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 11' ' ' PRO . . . . . . . . . . . . . 68.9 Cg_endo -67.28 0.83 3.5 Favored 'Trans proline' 0 N--CA 1.456 -0.734 0 C-N-CA 124.248 3.298 . . . . 0.0 112.689 -174.256 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -127.8 -30.33 2.52 Favored 'General case' 0 N--CA 1.457 -0.081 0 C-N-CA 122.632 0.373 . . . . 0.0 110.201 176.951 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 38.9 m -76.68 -23.07 53.2 Favored 'General case' 0 N--CA 1.453 -0.294 0 CA-C-O 119.431 -0.319 . . . . 0.0 111.44 -178.569 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 14' ' ' MET . . . . . . . . . . . . . 13.0 ptm -88.17 -2.31 58.53 Favored 'General case' 0 CA--C 1.532 0.277 0 CA-C-N 118.969 0.804 . . . . 0.0 111.526 175.798 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 69.3 m-80 -103.71 -21.59 13.68 Favored 'General case' 0 N--CA 1.454 -0.258 0 C-N-CA 122.804 0.442 . . . . 0.0 110.697 175.659 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 78.2 p -86.8 6.4 31.8 Favored 'General case' 0 CA--C 1.53 0.196 0 C-N-CA 123.072 0.549 . . . . 0.0 111.009 171.214 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 26.3 ttp-105 -100.67 151.59 21.46 Favored 'General case' 0 C--N 1.339 0.116 0 C-N-CA 123.345 0.658 . . . . 0.0 110.095 177.753 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 74.6 t -126.21 129.41 72.09 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.249 0 C-N-CA 123.207 0.603 . . . . 0.0 110.067 178.143 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 14.1 t80 -88.19 133.15 34.1 Favored 'General case' 0 N--CA 1.451 -0.376 0 N-CA-C 109.157 -0.682 . . . . 0.0 109.157 175.232 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 60.3 mt -120.91 84.63 0.86 Allowed 'Isoleucine or valine' 0 N--CA 1.457 -0.122 0 N-CA-C 108.002 -1.11 . . . . 0.0 108.002 179.184 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -85.13 173.92 48.88 Favored Glycine 0 CA--C 1.524 0.61 0 N-CA-C 110.928 -0.869 . . . . 0.0 110.928 178.389 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 64.8 t30 49.42 47.23 22.68 Favored 'General case' 0 CA--C 1.533 0.291 0 C-N-CA 122.97 0.508 . . . . 0.0 110.916 -179.1 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 57.8 tp -98.7 144.75 27.62 Favored 'General case' 0 N--CA 1.453 -0.284 0 C-N-CA 123.327 0.651 . . . . 0.0 109.391 179.982 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 65.5 t30 -69.41 -42.3 75.25 Favored 'General case' 0 CA--C 1.53 0.197 0 CA-C-N 117.774 0.261 . . . . 0.0 110.946 -178.194 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 31.1 p 59.06 -7.2 0.05 OUTLIER 'General case' 0 N--CA 1.468 0.466 0 C-N-CA 127.125 2.17 . . . . 0.0 115.094 179.167 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 70.6 mt -79.63 -25.57 41.38 Favored 'General case' 0 N--CA 1.452 -0.33 0 CA-C-N 118.25 0.477 . . . . 0.0 111.661 175.862 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 49.3 t -119.68 -23.35 3.46 Favored 'Isoleucine or valine' 0 CA--C 1.531 0.237 0 C-N-CA 122.828 0.451 . . . . 0.0 111.627 -177.763 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 48.3 t -103.29 142.15 17.71 Favored 'Isoleucine or valine' 0 C--O 1.232 0.138 0 CA-C-N 118.107 0.412 . . . . 0.0 109.93 178.341 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 2.3 mptp? -134.45 172.95 12.19 Favored 'General case' 0 C--N 1.339 0.133 0 C-N-CA 123.66 0.784 . . . . 0.0 109.9 -178.51 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 11.3 ptmt -65.45 -6.47 10.55 Favored 'General case' 0 C--O 1.226 -0.158 0 C-N-CA 124.029 0.932 . . . . 0.0 112.102 179.586 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 36.6 m -98.0 -0.45 44.66 Favored 'General case' 0 CA--C 1.531 0.225 0 C-N-CA 123.566 0.746 . . . . 0.0 110.774 175.232 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 23.1 m-20 -115.54 -33.92 5.06 Favored 'General case' 0 N--CA 1.453 -0.314 0 C-N-CA 124.096 0.959 . . . . 0.0 110.659 179.89 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 75.0 t -62.72 -32.86 57.1 Favored 'Isoleucine or valine' 0 CA--C 1.528 0.124 0 N-CA-C 109.318 -0.623 . . . . 0.0 109.318 178.199 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 19.9 pt-20 -78.62 7.77 6.32 Favored 'General case' 0 CA--C 1.53 0.183 0 N-CA-C 112.033 0.383 . . . . 0.0 112.033 178.301 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -126.53 -7.52 6.3 Favored 'General case' 0 CA--C 1.532 0.259 0 C-N-CA 123.275 0.63 . . . . 0.0 111.007 176.919 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 80.5 mt -110.57 -26.92 2.99 Favored 'Isoleucine or valine' 0 CA--C 1.528 0.117 0 C-N-CA 123.071 0.548 . . . . 0.0 110.861 179.409 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 37' ' ' PHE . . . . . . . . . . . . . 67.2 m-85 -105.71 -5.88 19.59 Favored 'General case' 0 N--CA 1.455 -0.209 0 C-N-CA 122.492 0.317 . . . . 0.0 110.977 179.955 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 68.2 p -75.69 -14.37 60.35 Favored 'General case' 0 CA--C 1.524 -0.055 0 C-N-CA 122.621 0.369 . . . . 0.0 111.463 179.505 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 18.7 ptmt -81.69 -10.97 59.25 Favored 'General case' 0 CA--C 1.531 0.212 0 C-N-CA 123.022 0.529 . . . . 0.0 112.299 179.399 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 40' ' ' TYR . . . . . . . . . . . . . 68.9 m-85 -106.95 -14.38 14.97 Favored 'General case' 0 C--N 1.338 0.108 0 CA-C-N 117.867 0.303 . . . . 0.0 111.432 178.194 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -176.56 163.63 32.86 Favored Glycine 0 CA--C 1.523 0.573 0 N-CA-C 111.914 -0.475 . . . . 0.0 111.914 174.865 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 78.0 tttt -74.24 112.96 10.9 Favored 'General case' 0 N--CA 1.454 -0.26 0 N-CA-C 108.71 -0.848 . . . . 0.0 108.71 177.99 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 43' ' ' ILE . . . . . . . . . . . . . 74.4 mt -81.89 130.08 36.4 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.354 0 N-CA-C 109.545 -0.539 . . . . 0.0 109.545 -179.223 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 34.0 m -108.87 -8.42 11.19 Favored 'Isoleucine or valine' 0 C--O 1.228 -0.043 0 C-N-CA 123.3 0.64 . . . . 0.0 110.622 178.549 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . -169.63 148.65 12.16 Favored Glycine 0 CA--C 1.524 0.626 0 N-CA-C 109.85 -1.3 . . . . 0.0 109.85 177.621 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 46' ' ' CYS . . . . . . . . . . . . . 26.4 p -153.14 152.47 31.31 Favored 'General case' 0 N--CA 1.449 -0.48 0 CA-C-N 116.95 0.375 . . . . 0.0 110.042 179.913 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 96.4 p -155.54 149.81 25.84 Favored 'General case' 0 N--CA 1.454 -0.272 0 CA-C-O 120.957 0.408 . . . . 0.0 110.102 177.187 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 48' ' ' VAL . . . . . . . . . . . . . 98.6 t -125.94 146.36 31.85 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.235 0 N-CA-C 108.947 -0.76 . . . . 0.0 108.947 175.391 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 49' ' ' HIS . . . . . . . . . . . . . 51.4 m-70 -134.38 -166.06 1.75 Allowed 'General case' 0 N--CA 1.446 -0.635 0 C-N-CA 124.298 1.039 . . . . 0.0 108.39 -176.619 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 75.5 mmtt -87.74 116.62 26.02 Favored 'General case' 0 N--CA 1.457 -0.112 0 O-C-N 122.002 -0.436 . . . . 0.0 109.904 176.26 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 81.4 -7.84 60.05 Favored Glycine 0 CA--C 1.531 1.048 0 CA-C-O 119.107 -0.829 . . . . 0.0 113.77 178.238 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 44.1 p90 -152.82 171.95 17.47 Favored 'General case' 0 CA--C 1.528 0.111 0 CA-C-N 119.058 1.429 . . . . 0.0 111.703 178.543 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -150.63 172.55 15.35 Favored 'General case' 0 N--CA 1.453 -0.286 0 C-N-CA 124.092 0.957 . . . . 0.0 110.214 177.479 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 54' ' ' PHE . . . . . . . . . . . . . 12.2 m-85 -140.05 147.6 40.56 Favored 'General case' 0 N--CA 1.454 -0.258 0 C-N-CA 123.777 0.831 . . . . 0.0 110.702 178.852 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 93.9 t -135.51 138.3 48.41 Favored 'Isoleucine or valine' 0 CA--C 1.517 -0.315 0 C-N-CA 123.665 0.786 . . . . 0.0 109.368 177.55 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 56' ' ' GLN . . . . . . . . . . . . . 62.9 tp60 -117.99 129.58 55.67 Favored 'General case' 0 N--CA 1.451 -0.408 0 N-CA-C 109.381 -0.6 . . . . 0.0 109.381 -177.572 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 57' ' ' TYR . . . . . . . . . . . . . 44.2 m-85 -112.43 176.11 5.15 Favored 'General case' 0 N--CA 1.455 -0.176 0 C-N-CA 123.426 0.69 . . . . 0.0 111.043 -179.976 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 58' ' ' VAL . . . . . . . . . . . . . 77.5 t -72.32 -31.34 38.44 Favored 'Isoleucine or valine' 0 CA--C 1.528 0.112 0 CA-C-N 116.36 -0.382 . . . . 0.0 110.273 178.539 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 59' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -155.33 168.68 26.29 Favored 'General case' 0 N--CA 1.453 -0.294 0 N-CA-C 112.108 0.41 . . . . 0.0 112.108 178.734 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 84.9 tt0 -59.01 -30.94 68.37 Favored 'General case' 0 CA--C 1.53 0.175 0 C-N-CA 123.75 0.82 . . . . 0.0 112.321 -178.184 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 23.0 tpt180 -59.11 -39.32 81.91 Favored 'General case' 0 CA--C 1.52 -0.193 0 CA-C-N 119.064 0.847 . . . . 0.0 110.067 179.619 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 62' ' ' ASN . . . . . . . . . . . . . 19.5 m120 -71.22 -25.72 62.62 Favored 'General case' 0 N--CA 1.448 -0.564 0 C-N-CA 120.943 -0.303 . . . . 0.0 110.904 -179.481 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -74.82 -38.01 62.17 Favored 'General case' 0 N--CA 1.451 -0.414 0 N-CA-C 110.439 -0.208 . . . . 0.0 110.439 177.778 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 64' ' ' ARG . . . . . . . . . . . . . 36.8 mmt180 -68.57 -26.15 65.26 Favored 'General case' 0 C--N 1.337 0.05 0 O-C-N 122.405 -0.184 . . . . 0.0 110.737 179.141 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -80.27 -32.39 38.24 Favored 'General case' 0 N--CA 1.455 -0.186 0 CA-C-N 117.512 0.142 . . . . 0.0 111.06 -179.616 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -81.71 -35.08 30.2 Favored 'General case' 0 N--CA 1.451 -0.39 0 O-C-N 122.435 -0.166 . . . . 0.0 111.082 179.015 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 67' ' ' VAL . . . . . . . . . . . . . 44.3 t -65.04 -34.2 68.97 Favored 'Isoleucine or valine' 0 C--O 1.227 -0.128 0 N-CA-C 110.022 -0.362 . . . . 0.0 110.022 175.604 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -91.14 -10.66 41.05 Favored 'General case' 0 N--CA 1.457 -0.121 0 N-CA-C 112.03 0.381 . . . . 0.0 112.03 178.585 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . -101.77 -13.91 30.86 Favored Glycine 0 CA--C 1.529 0.96 0 CA-C-O 119.263 -0.743 . . . . 0.0 113.878 -178.032 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 45.5 mm-40 -133.08 -20.69 2.15 Favored 'General case' 0 N--CA 1.464 0.257 0 CA-C-N 118.714 1.257 . . . . 0.0 112.476 -173.683 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 19.5 t0 -61.74 117.88 6.41 Favored 'General case' 0 N--CA 1.454 -0.249 0 CA-C-N 119.185 0.902 . . . . 0.0 110.192 178.816 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . 87.62 9.88 71.2 Favored Glycine 0 CA--C 1.523 0.54 0 N-CA-C 110.96 -0.856 . . . . 0.0 110.96 179.523 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 73' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -75.38 169.8 17.35 Favored 'General case' 0 N--CA 1.453 -0.279 0 N-CA-C 106.289 -1.745 . . . . 0.0 106.289 171.727 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 74' ' ' MET . . . . . . . . . . . . . 33.3 ttm -115.3 120.57 40.09 Favored 'General case' 0 N--CA 1.448 -0.526 0 N-CA-C 109.139 -0.689 . . . . 0.0 109.139 -176.945 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 75' ' ' ILE . . . . . . . . . . . . . 0.2 OUTLIER -127.76 135.68 62.41 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.317 0 CA-C-N 115.975 -0.557 . . . . 0.0 109.541 179.437 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . 54.54 17.44 1.64 Allowed 'General case' 0 CA--C 1.536 0.412 0 C-N-CA 123.181 0.592 . . . . 0.0 112.291 -174.391 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 89.92 4.4 72.32 Favored Glycine 0 CA--C 1.527 0.794 0 CA-C-O 119.647 -0.529 . . . . 0.0 112.072 -179.476 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 78' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -124.7 131.94 53.42 Favored 'General case' 0 N--CA 1.449 -0.508 0 CA-C-N 117.775 0.788 . . . . 0.0 110.335 -179.726 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 79' ' ' VAL . . . . . . . . . . . . . 48.5 t -63.93 140.7 19.25 Favored 'Isoleucine or valine' 0 CA--C 1.522 -0.101 0 C-N-CA 124.372 1.069 . . . . 0.0 110.323 -178.733 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 30.6 mt -94.73 156.48 16.37 Favored 'General case' 0 C--O 1.23 0.071 0 CA-C-O 120.853 0.358 . . . . 0.0 111.347 177.433 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 81' ' ' ASP . . . . . . . . . . . . . 36.1 t70 -122.52 98.25 5.83 Favored 'General case' 0 N--CA 1.452 -0.374 0 N-CA-C 108.193 -1.04 . . . . 0.0 108.193 176.306 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 82' ' ' ILE . . . . . . . . . . . . . 64.2 mt -115.31 139.88 39.51 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.23 0 C-N-CA 122.947 0.499 . . . . 0.0 110.566 -170.015 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 83' ' ' ASN . . . . . . . . . . . . . 1.9 p-10 -157.8 165.45 35.29 Favored 'General case' 0 N--CA 1.452 -0.338 0 CA-C-O 121.085 0.469 . . . . 0.0 111.597 -179.624 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 84' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -61.69 130.74 47.28 Favored 'General case' 0 N--CA 1.452 -0.345 0 C-N-CA 124.049 0.94 . . . . 0.0 108.754 175.398 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . -65.32 0.01 1.62 Allowed 'General case' 0 CA--C 1.532 0.266 0 N-CA-C 114.142 1.164 . . . . 0.0 114.142 -174.544 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . -131.25 -0.8 4.04 Favored 'General case' 0 N--CA 1.454 -0.227 0 CA-C-N 118.708 0.685 . . . . 0.0 111.607 178.491 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 84.9 mt-10 -142.45 68.76 21.01 Favored Pre-proline 0 N--CA 1.454 -0.241 0 N-CA-C 108.708 -0.849 . . . . 0.0 108.708 177.854 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 88' ' ' PRO . . . . . . . . . . . . . 36.8 Cg_endo -60.09 141.6 96.56 Favored 'Trans proline' 0 N--CA 1.451 -0.997 0 C-N-CA 122.885 2.39 . . . . 0.0 108.864 178.586 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 89' ' ' LYS . . . . . 0.533 ' HG3' ' H ' ' A' ' 90' ' ' VAL . 14.2 ptpt -50.91 -69.49 0.11 Allowed 'General case' 0 CA--C 1.527 0.089 0 N-CA-C 112.847 0.684 . . . . 0.0 112.847 -170.498 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 90' ' ' VAL . . . . . 0.533 ' H ' ' HG3' ' A' ' 89' ' ' LYS . 99.8 t -149.37 -37.93 0.09 OUTLIER 'Isoleucine or valine' 0 N--CA 1.457 -0.102 0 C-N-CA 122.882 0.473 . . . . 0.0 110.183 178.931 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 91' ' ' ASN . . . . . . . . . . . . . 68.3 m-80 -133.28 166.09 23.31 Favored 'General case' 0 N--CA 1.452 -0.371 0 CA-C-O 121.491 0.662 . . . . 0.0 111.589 -175.443 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 92' ' ' ARG . . . . . . . . . . . . . 34.3 ttt180 -139.28 94.94 2.86 Favored 'General case' 0 N--CA 1.455 -0.199 0 N-CA-C 105.535 -2.024 . . . . 0.0 105.535 172.31 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . -90.42 -150.82 24.84 Favored Glycine 0 CA--C 1.522 0.488 0 N-CA-C 111.833 -0.507 . . . . 0.0 111.833 -176.103 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 57.1 tttp -135.03 -13.91 2.1 Favored 'General case' 0 N--CA 1.454 -0.243 0 C-N-CA 122.873 0.469 . . . . 0.0 111.856 179.986 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . -151.43 165.98 32.46 Favored 'General case' 0 N--CA 1.453 -0.291 0 C-N-CA 122.812 0.445 . . . . 0.0 110.538 -177.674 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . -75.99 -14.66 82.01 Favored Glycine 0 CA--C 1.527 0.835 0 CA-C-O 119.749 -0.473 . . . . 0.0 112.178 179.207 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 97' ' ' VAL . . . . . . . . . . . . . 10.9 p -89.29 131.25 37.06 Favored 'Isoleucine or valine' 0 N--CA 1.456 -0.137 0 CA-C-N 117.739 0.769 . . . . 0.0 109.169 177.375 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 98' ' ' LYS . . . . . . . . . . . . . 60.2 mttm -132.57 19.11 4.29 Favored 'General case' 0 C--O 1.231 0.082 0 C-N-CA 123.147 0.579 . . . . 0.0 111.261 -175.206 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 99' ' ' ARG . . . . . . . . . . . . . 60.4 mtt-85 -133.35 173.74 11.14 Favored 'General case' 0 N--CA 1.454 -0.265 0 C-N-CA 124.48 1.112 . . . . 0.0 111.095 -177.891 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 68.8 m -69.51 -13.86 62.56 Favored 'General case' 0 N--CA 1.452 -0.351 0 C-N-CA 123.125 0.57 . . . . 0.0 111.316 177.997 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 101' ' ' ALA . . . . . . . . . . . . . . . 51.88 18.4 0.78 Allowed 'General case' 0 CA--C 1.532 0.263 0 C-N-CA 124.138 0.975 . . . . 0.0 112.291 -175.777 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -152.57 4.27 0.36 Allowed 'General case' 0 N--CA 1.453 -0.282 0 C-N-CA 123.205 0.602 . . . . 0.0 112.132 -176.55 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 2.5 pm0 -74.45 -4.27 35.64 Favored 'General case' 0 CA--C 1.531 0.249 0 O-C-N 121.809 -0.557 . . . . 0.0 112.241 -176.783 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 104' ' ' MET . . . . . . . . . . . . . 75.2 mtm -111.15 12.35 21.88 Favored 'General case' 0 CA--C 1.531 0.223 0 C-N-CA 123.683 0.793 . . . . 0.0 111.225 179.179 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 105' ' ' TYR . . . . . . . . . . . . . 70.6 m-85 -127.11 2.03 6.48 Favored 'General case' 0 CA--C 1.532 0.257 0 C-N-CA 122.786 0.434 . . . . 0.0 111.546 -178.106 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 106' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--N 1.339 0.706 0 N-CA-C 111.2 -0.76 . . . . 0.0 111.2 179.411 . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' B' B ' 1' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.42 -2.77 0 O4'-C1'-N19 110.559 2.359 . 0.0 '__' . 0.0 . . . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' B' B ' 2' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.425 -2.355 1 O4'-C1'-N19 112.487 4.287 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 3' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.419 -2.85 0 O4'-C1'-N19 111.181 2.981 . 0.501 0b . 0.0 . . . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' B' B ' 4' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.423 -2.536 1 O4'-C1'-N19 113.078 4.878 . 0.147 4b . 0.0 . . . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 5' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.422 -2.597 0 C5'-C4'-C3' 110.46 -3.36 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.476 0.856 0 CA-C-O 120.171 0.034 . . . . 0.0 110.94 . . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 60.6 m -74.5 162.02 29.21 Favored 'General case' 0 C--N 1.338 0.069 0 C-N-CA 122.514 0.326 . . . . 0.0 110.549 178.619 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 4' ' ' ASN . . . . . . . . . . . . . 2.7 p-10 -87.47 6.2 35.21 Favored 'General case' 0 CA--C 1.532 0.26 0 C-N-CA 122.747 0.419 . . . . 0.0 111.912 179.976 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 92.5 t -101.91 133.84 44.21 Favored 'Isoleucine or valine' 0 N--CA 1.457 -0.085 0 C-N-CA 123.203 0.601 . . . . 0.0 110.903 -176.238 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 47.1 p -147.75 11.49 0.97 Allowed 'General case' 0 CA--C 1.531 0.219 0 C-N-CA 123.401 0.68 . . . . 0.0 112.11 179.956 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 7' ' ' ASN . . . . . . . . . . . . . 64.3 t-20 -120.83 108.18 13.63 Favored 'General case' 0 CA--C 1.532 0.256 0 CA-C-N 119.436 1.017 . . . . 0.0 111.811 -178.742 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 56.8 mtmt -148.82 164.24 35.03 Favored 'General case' 0 C--O 1.231 0.088 0 C-N-CA 125.885 1.674 . . . . 0.0 107.709 173.922 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 80.9 p -125.85 22.36 7.45 Favored 'General case' 0 N--CA 1.465 0.314 0 N-CA-C 112.714 0.635 . . . . 0.0 112.714 -176.611 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 25.0 m-20 -65.91 150.9 96.0 Favored Pre-proline 0 CA--C 1.531 0.239 0 O-C-N 122.096 -0.378 . . . . 0.0 110.171 177.208 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 11' ' ' PRO . . . . . . . . . . . . . 57.1 Cg_endo -65.49 -2.77 6.62 Favored 'Trans proline' 0 N--CA 1.456 -0.733 0 C-N-CA 124.102 3.201 . . . . 0.0 113.514 -174.219 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 4.4 tmm_? -132.24 -31.29 1.45 Allowed 'General case' 0 N--CA 1.456 -0.17 0 CA-C-N 118.28 0.491 . . . . 0.0 110.685 179.88 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 20.2 m -72.57 -28.74 63.0 Favored 'General case' 0 N--CA 1.456 -0.156 0 CA-C-O 119.211 -0.423 . . . . 0.0 111.085 -178.4 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 14' ' ' MET . . . . . . . . . . . . . 13.9 ptm -87.17 -3.72 59.07 Favored 'General case' 0 N--CA 1.454 -0.256 0 CA-C-N 118.718 0.69 . . . . 0.0 112.112 178.589 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 59.1 m-80 -102.41 -21.11 14.32 Favored 'General case' 0 CA--C 1.528 0.128 0 C-N-CA 123.018 0.527 . . . . 0.0 109.973 174.127 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 16.3 m -83.87 13.62 4.73 Favored 'General case' 0 N--CA 1.456 -0.144 0 C-N-CA 123.624 0.769 . . . . 0.0 110.682 171.66 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 36.4 ttm180 -113.18 155.39 25.1 Favored 'General case' 0 N--CA 1.452 -0.339 0 C-N-CA 124.714 1.206 . . . . 0.0 109.898 -176.961 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 74.6 t -130.28 131.9 65.3 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.447 0 CA-C-O 120.785 0.326 . . . . 0.0 110.262 178.874 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 26.0 t80 -90.76 133.62 35.04 Favored 'General case' 0 N--CA 1.451 -0.413 0 C-N-CA 123.625 0.77 . . . . 0.0 108.993 174.265 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 59.5 mt -121.21 84.05 0.83 Allowed 'Isoleucine or valine' 0 N--CA 1.456 -0.152 0 N-CA-C 107.765 -1.198 . . . . 0.0 107.765 179.445 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -84.0 173.3 50.42 Favored Glycine 0 CA--C 1.525 0.704 0 N-CA-C 110.75 -0.94 . . . . 0.0 110.75 178.398 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 22' ' ' ASN . . . . . 0.408 ' HB2' ' C4 ' ' B' ' 1' ' ' ' U' . 61.1 t30 49.88 46.53 24.11 Favored 'General case' 0 N--CA 1.453 -0.275 0 C-N-CA 123.001 0.521 . . . . 0.0 110.8 -179.02 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 56.3 tp -98.46 143.9 28.39 Favored 'General case' 0 N--CA 1.454 -0.238 0 N-CA-C 109.418 -0.586 . . . . 0.0 109.418 179.25 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 24' ' ' ASN . . . . . 0.401 ' C ' ' H ' ' A' ' 26' ' ' LEU . 64.1 t30 -68.84 -36.12 77.78 Favored 'General case' 0 CA--C 1.529 0.168 0 C-N-CA 121.158 -0.217 . . . . 0.0 111.158 -177.148 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 56.2 p 52.68 3.8 0.03 OUTLIER 'General case' 0 N--CA 1.466 0.328 0 C-N-CA 126.592 1.957 . . . . 0.0 115.036 178.645 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 26' ' ' LEU . . . . . 0.401 ' H ' ' C ' ' A' ' 24' ' ' ASN . 7.0 mp -97.55 -16.28 20.14 Favored 'General case' 0 CA--C 1.531 0.225 0 C-N-CA 123.364 0.666 . . . . 0.0 111.043 176.961 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 58.8 t -125.68 -20.56 2.61 Favored 'Isoleucine or valine' 0 C--O 1.227 -0.089 0 C-N-CA 122.502 0.321 . . . . 0.0 110.564 179.676 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 52.0 t -106.8 141.73 21.33 Favored 'Isoleucine or valine' 0 C--N 1.338 0.073 0 N-CA-C 110.144 -0.317 . . . . 0.0 110.144 177.292 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 2.3 mptp? -134.23 173.44 11.6 Favored 'General case' 0 N--CA 1.456 -0.135 0 C-N-CA 123.673 0.789 . . . . 0.0 109.973 -179.783 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 9.4 ptmt -67.42 -4.1 10.24 Favored 'General case' 0 CA--C 1.528 0.124 0 C-N-CA 123.56 0.744 . . . . 0.0 111.926 179.314 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 39.6 m -97.84 -0.2 45.57 Favored 'General case' 0 CA--C 1.532 0.278 0 C-N-CA 123.648 0.779 . . . . 0.0 110.709 173.819 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 26.8 m-20 -117.21 -33.12 4.77 Favored 'General case' 0 N--CA 1.453 -0.288 0 C-N-CA 124.016 0.926 . . . . 0.0 110.691 -179.248 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 79.2 t -63.05 -31.57 53.09 Favored 'Isoleucine or valine' 0 C--O 1.231 0.083 0 O-C-N 121.799 -0.563 . . . . 0.0 109.569 178.193 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 19.4 pt-20 -78.84 7.04 7.74 Favored 'General case' 0 CA--C 1.53 0.183 0 N-CA-C 111.99 0.367 . . . . 0.0 111.99 178.198 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -126.54 -7.69 6.29 Favored 'General case' 0 N--CA 1.453 -0.275 0 C-N-CA 123.096 0.558 . . . . 0.0 111.382 177.235 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 74.7 mt -109.89 -28.81 2.58 Favored 'Isoleucine or valine' 0 CA--C 1.527 0.083 0 C-N-CA 122.824 0.449 . . . . 0.0 110.811 178.912 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 37' ' ' PHE . . . . . . . . . . . . . 61.3 m-85 -102.17 -9.2 20.69 Favored 'General case' 0 N--CA 1.455 -0.206 0 C-N-CA 122.46 0.304 . . . . 0.0 110.83 179.784 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 66.2 p -72.22 -14.61 61.83 Favored 'General case' 0 C--O 1.231 0.129 0 C-N-CA 122.584 0.354 . . . . 0.0 111.643 -178.801 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 12.8 ptmm? -82.88 -10.0 59.04 Favored 'General case' 0 N--CA 1.455 -0.216 0 C-N-CA 123.202 0.601 . . . . 0.0 112.231 178.91 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 40' ' ' TYR . . . . . . . . . . . . . 86.7 m-85 -106.58 -14.88 14.92 Favored 'General case' 0 C--N 1.339 0.14 0 C-N-CA 122.55 0.34 . . . . 0.0 111.332 177.894 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -176.63 162.09 30.44 Favored Glycine 0 CA--C 1.524 0.622 0 N-CA-C 111.807 -0.517 . . . . 0.0 111.807 174.545 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 79.1 tttt -73.5 113.19 10.32 Favored 'General case' 0 N--CA 1.453 -0.324 0 N-CA-C 108.892 -0.781 . . . . 0.0 108.892 177.742 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 43' ' ' ILE . . . . . . . . . . . . . 73.9 mt -83.05 131.1 34.54 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.395 0 N-CA-C 109.622 -0.51 . . . . 0.0 109.622 -177.983 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 33.4 m -109.2 -8.98 11.32 Favored 'Isoleucine or valine' 0 CA--C 1.527 0.082 0 C-N-CA 123.132 0.573 . . . . 0.0 110.604 178.419 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . -169.01 147.1 10.82 Favored Glycine 0 CA--C 1.525 0.665 0 N-CA-C 109.798 -1.321 . . . . 0.0 109.798 177.635 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 46' ' ' CYS . . . . . . . . . . . . . 27.2 p -152.37 152.96 32.7 Favored 'General case' 0 N--CA 1.451 -0.384 0 N-CA-C 109.817 -0.438 . . . . 0.0 109.817 179.171 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 21.9 t -157.01 151.74 25.71 Favored 'General case' 0 N--CA 1.451 -0.418 0 N-CA-C 110.114 -0.328 . . . . 0.0 110.114 177.009 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 48' ' ' VAL . . . . . . . . . . . . . 98.1 t -127.82 146.51 33.34 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.303 0 N-CA-C 109.127 -0.694 . . . . 0.0 109.127 176.947 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 49' ' ' HIS . . . . . . . . . . . . . 48.6 m-70 -133.47 -163.26 1.33 Allowed 'General case' 0 N--CA 1.451 -0.406 0 N-CA-C 107.7 -1.222 . . . . 0.0 107.7 -176.704 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 57.7 mtpt -91.56 121.12 32.95 Favored 'General case' 0 N--CA 1.454 -0.257 0 CA-C-N 118.312 0.506 . . . . 0.0 109.762 175.1 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 78.87 -9.36 38.19 Favored Glycine 0 CA--C 1.531 1.046 0 CA-C-O 119.182 -0.788 . . . . 0.0 113.558 178.867 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 50.1 p90 -151.58 170.25 20.13 Favored 'General case' 0 C--O 1.231 0.096 0 CA-C-N 119.01 1.405 . . . . 0.0 111.866 178.341 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -149.69 172.0 15.79 Favored 'General case' 0 N--CA 1.452 -0.356 0 C-N-CA 124.304 1.042 . . . . 0.0 110.188 176.72 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 54' ' ' PHE . . . . . . . . . . . . . 17.2 m-85 -139.99 149.17 42.91 Favored 'General case' 0 N--CA 1.454 -0.241 0 C-N-CA 123.516 0.726 . . . . 0.0 110.901 -179.829 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 92.2 t -136.88 146.33 28.57 Favored 'Isoleucine or valine' 0 CA--C 1.518 -0.261 0 C-N-CA 123.853 0.861 . . . . 0.0 108.926 177.532 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 56' ' ' GLN . . . . . . . . . . . . . 67.9 tp60 -126.45 133.27 51.26 Favored 'General case' 0 N--CA 1.45 -0.445 0 N-CA-C 109.161 -0.681 . . . . 0.0 109.161 -179.82 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 57' ' ' TYR . . . . . 0.429 ' HH ' ' CB ' ' A' ' 66' ' ' ALA . 51.6 m-85 -115.51 175.42 5.53 Favored 'General case' 0 N--CA 1.454 -0.27 0 C-N-CA 123.609 0.764 . . . . 0.0 110.853 -179.054 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 58' ' ' VAL . . . . . . . . . . . . . 77.0 t -71.07 -30.04 39.37 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.276 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.297 179.399 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 59' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -157.55 168.48 27.17 Favored 'General case' 0 N--CA 1.454 -0.236 0 CA-C-O 120.798 0.332 . . . . 0.0 111.879 177.202 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 65.0 tt0 -57.12 -31.74 65.61 Favored 'General case' 0 N--CA 1.455 -0.188 0 C-N-CA 123.578 0.751 . . . . 0.0 112.559 -178.802 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 25.5 tpt180 -58.55 -40.05 81.93 Favored 'General case' 0 N--CA 1.462 0.17 0 CA-C-N 118.965 0.802 . . . . 0.0 110.042 -179.506 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 62' ' ' ASN . . . . . . . . . . . . . 18.8 m120 -71.16 -25.04 62.38 Favored 'General case' 0 N--CA 1.45 -0.442 0 C-N-CA 120.704 -0.398 . . . . 0.0 110.73 -179.349 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -76.18 -36.69 58.57 Favored 'General case' 0 N--CA 1.454 -0.262 0 O-C-N 122.291 -0.256 . . . . 0.0 110.377 177.785 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 64' ' ' ARG . . . . . . . . . . . . . 41.4 mmt180 -68.01 -26.42 65.89 Favored 'General case' 0 N--CA 1.462 0.137 0 N-CA-C 110.33 -0.248 . . . . 0.0 110.33 178.132 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -80.36 -33.21 37.44 Favored 'General case' 0 N--CA 1.452 -0.341 0 C-N-CA 121.921 0.088 . . . . 0.0 110.796 -178.468 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 66' ' ' ALA . . . . . 0.429 ' CB ' ' HH ' ' A' ' 57' ' ' TYR . . . -80.64 -35.78 33.47 Favored 'General case' 0 N--CA 1.453 -0.317 0 O-C-N 122.277 -0.265 . . . . 0.0 111.225 178.415 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 67' ' ' VAL . . . . . . . . . . . . . 44.0 t -63.99 -33.66 63.61 Favored 'Isoleucine or valine' 0 C--O 1.226 -0.134 0 N-CA-C 109.879 -0.415 . . . . 0.0 109.879 175.646 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -91.53 -9.89 42.69 Favored 'General case' 0 N--CA 1.452 -0.362 0 O-C-N 121.973 -0.454 . . . . 0.0 112.117 178.09 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . -102.53 -14.35 27.9 Favored Glycine 0 CA--C 1.531 1.039 0 CA-C-O 119.05 -0.861 . . . . 0.0 113.749 -177.158 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 24.7 mm-40 -133.26 -19.6 2.18 Favored 'General case' 0 N--CA 1.462 0.131 0 CA-C-N 118.803 1.302 . . . . 0.0 112.816 -174.041 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 19.4 t0 -62.34 117.05 5.6 Favored 'General case' 0 N--CA 1.455 -0.194 0 O-C-N 121.146 -0.971 . . . . 0.0 110.042 179.055 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . 87.79 10.22 70.13 Favored Glycine 0 C--N 1.339 0.696 0 N-CA-C 111.103 -0.799 . . . . 0.0 111.103 179.553 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 73' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -76.32 168.67 19.64 Favored 'General case' 0 N--CA 1.453 -0.319 0 N-CA-C 106.543 -1.651 . . . . 0.0 106.543 171.681 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 74' ' ' MET . . . . . . . . . . . . . 32.5 ttm -113.65 122.35 46.92 Favored 'General case' 0 N--CA 1.451 -0.421 0 N-CA-C 109.178 -0.675 . . . . 0.0 109.178 -176.73 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 75' ' ' ILE . . . . . . . . . . . . . 0.3 OUTLIER -130.18 136.26 59.07 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.331 0 CA-C-N 115.838 -0.619 . . . . 0.0 109.538 179.605 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . 54.49 18.05 1.83 Allowed 'General case' 0 CA--C 1.533 0.314 0 C-N-CA 123.186 0.595 . . . . 0.0 112.117 -174.271 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 88.71 4.33 76.1 Favored Glycine 0 CA--C 1.528 0.846 0 CA-C-O 119.68 -0.511 . . . . 0.0 112.435 -178.852 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 78' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -125.08 132.69 53.12 Favored 'General case' 0 N--CA 1.45 -0.457 0 CA-C-N 117.783 0.792 . . . . 0.0 110.313 -179.354 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 79' ' ' VAL . . . . . . . . . . . . . 49.1 t -64.23 141.29 18.38 Favored 'Isoleucine or valine' 0 N--CA 1.46 0.073 0 C-N-CA 124.248 1.019 . . . . 0.0 110.585 -179.137 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 30.6 mt -95.15 158.13 15.59 Favored 'General case' 0 CA--C 1.523 -0.058 0 CA-C-O 120.756 0.313 . . . . 0.0 111.399 177.02 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 81' ' ' ASP . . . . . . . . . . . . . 25.5 t0 -123.12 100.94 7.12 Favored 'General case' 0 N--CA 1.453 -0.312 0 N-CA-C 108.041 -1.096 . . . . 0.0 108.041 175.219 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 82' ' ' ILE . . . . . . . . . . . . . 64.8 mt -117.11 138.97 46.04 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.226 0 C-N-CA 123.099 0.56 . . . . 0.0 110.713 -170.435 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 83' ' ' ASN . . . . . . . . . . . . . 2.0 p-10 -159.3 167.18 29.56 Favored 'General case' 0 N--CA 1.456 -0.159 0 C-N-CA 123.218 0.607 . . . . 0.0 109.711 177.821 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 84' ' ' LEU . . . . . . . . . . . . . 3.4 tp -59.78 140.1 56.8 Favored 'General case' 0 N--CA 1.452 -0.369 0 N-CA-C 109.587 -0.523 . . . . 0.0 109.587 176.968 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . -67.2 -1.41 4.41 Favored 'General case' 0 CA--C 1.531 0.227 0 N-CA-C 112.719 0.637 . . . . 0.0 112.719 -178.152 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . -126.68 7.08 6.81 Favored 'General case' 0 N--CA 1.455 -0.22 0 C-N-CA 122.8 0.44 . . . . 0.0 111.678 -179.82 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 93.2 mt-10 -138.46 66.4 43.31 Favored Pre-proline 0 CA--C 1.53 0.178 0 C-N-CA 122.763 0.425 . . . . 0.0 110.242 179.625 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 88' ' ' PRO . . . . . . . . . . . . . 44.5 Cg_endo -63.1 137.91 64.42 Favored 'Trans proline' 0 N--CA 1.448 -1.2 0 C-N-CA 122.361 2.04 . . . . 0.0 108.572 174.973 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 89' ' ' LYS . . . . . 0.402 ' HG3' ' H ' ' A' ' 90' ' ' VAL . 37.1 pttt -93.37 -105.65 0.12 Allowed 'General case' 0 N--CA 1.45 -0.434 0 CA-C-N 115.238 -0.892 . . . . 0.0 110.255 -175.514 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 90' ' ' VAL . . . . . 0.402 ' H ' ' HG3' ' A' ' 89' ' ' LYS . 6.2 m -144.26 -18.45 0.17 Allowed 'Isoleucine or valine' 0 C--N 1.331 -0.202 0 C-N-CA 123.861 0.864 . . . . 0.0 112.273 -177.56 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 91' ' ' ASN . . . . . . . . . . . . . 46.8 m-80 -83.86 1.33 43.72 Favored 'General case' 0 CA--C 1.53 0.188 0 N-CA-C 113.199 0.815 . . . . 0.0 113.199 -177.179 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 92' ' ' ARG . . . . . . . . . . . . . 49.5 ttt180 -69.79 86.09 0.49 Allowed 'General case' 0 C--N 1.34 0.196 0 CA-C-N 119.489 1.04 . . . . 0.0 108.884 176.996 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . -104.46 -137.41 9.18 Favored Glycine 0 N--CA 1.447 -0.577 0 N-CA-C 108.677 -1.769 . . . . 0.0 108.677 176.819 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 45.3 mmtm -144.19 -0.25 1.01 Allowed 'General case' 0 C--O 1.231 0.092 0 N-CA-C 112.416 0.525 . . . . 0.0 112.416 -179.312 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . -150.45 159.44 44.47 Favored 'General case' 0 N--CA 1.453 -0.293 0 CA-C-N 118.101 0.41 . . . . 0.0 111.107 -177.62 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . -76.26 -10.28 85.49 Favored Glycine 0 CA--C 1.527 0.795 0 CA-C-O 119.71 -0.495 . . . . 0.0 111.954 179.034 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 97' ' ' VAL . . . . . . . . . . . . . 14.7 p -119.99 135.32 60.65 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.303 0 N-CA-C 109.063 -0.717 . . . . 0.0 109.063 174.71 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 98' ' ' LYS . . . . . . . . . . . . . 90.0 mttt -128.43 28.41 5.45 Favored 'General case' 0 C--N 1.332 -0.154 0 C-N-CA 123.832 0.853 . . . . 0.0 110.441 -176.125 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 99' ' ' ARG . . . . . 0.467 ' HG3' ' H ' ' A' ' 100' ' ' SER . 19.1 tpt180 -127.39 175.19 8.39 Favored 'General case' 0 CA--C 1.529 0.162 0 C-N-CA 124.262 1.025 . . . . 0.0 109.123 -178.749 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 100' ' ' SER . . . . . 0.467 ' H ' ' HG3' ' A' ' 99' ' ' ARG . 60.6 m -63.96 -12.97 42.43 Favored 'General case' 0 N--CA 1.456 -0.145 0 C-N-CA 123.336 0.655 . . . . 0.0 112.676 -178.576 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 101' ' ' ALA . . . . . . . . . . . . . . . 53.38 17.09 0.99 Allowed 'General case' 0 CA--C 1.534 0.355 0 C-N-CA 124.022 0.929 . . . . 0.0 112.281 -176.04 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -150.3 6.29 0.57 Allowed 'General case' 0 CA--C 1.532 0.273 0 C-N-CA 123.2 0.6 . . . . 0.0 111.628 -178.256 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 103' ' ' GLU . . . . . 0.552 ' CD ' ' H ' ' A' ' 103' ' ' GLU . 3.2 pm0 -66.49 -6.78 16.01 Favored 'General case' 0 N--CA 1.454 -0.265 0 C-N-CA 124.28 1.032 . . . . 0.0 113.293 -176.575 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 104' ' ' MET . . . . . . . . . . . . . 75.8 mtm -108.08 8.3 28.12 Favored 'General case' 0 N--CA 1.456 -0.149 0 C-N-CA 123.531 0.732 . . . . 0.0 111.182 177.7 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 105' ' ' TYR . . . . . . . . . . . . . 33.4 m-85 -132.88 0.94 3.56 Favored 'General case' 0 CA--C 1.533 0.324 0 C-N-CA 122.686 0.394 . . . . 0.0 111.85 -178.12 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 106' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.524 0.629 0 N-CA-C 111.097 -0.801 . . . . 0.0 111.097 -179.872 . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' B' B ' 1' ' ' ' U' . . . . . 0.408 ' C4 ' ' HB2' ' A' ' 22' ' ' ASN . . . . . . . . 0 O4'--C4' 1.42 -2.723 0 O4'-C1'-N19 110.812 2.612 . 0.0 '__' . 0.0 . . . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 2' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.42 -2.79 1 O4'-C1'-N19 112.704 4.504 . 0.01 4b . 0.0 . . . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 3' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.418 -2.882 0 C5'-C4'-C3' 111.603 -2.598 . 0.079 0b . 0.0 . . . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' B' B ' 4' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.419 -2.835 1 O4'-C1'-N19 112.25 4.05 . 0.054 4b . 0.0 . . . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 5' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.418 -2.885 1 O4'-C1'-N19 112.766 4.566 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.476 0.845 0 CA-C-O 120.381 0.134 . . . . 0.0 110.884 . . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 50.2 m -67.32 158.89 30.47 Favored 'General case' 0 CA--C 1.527 0.068 0 C-N-CA 122.673 0.389 . . . . 0.0 111.126 179.705 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 4' ' ' ASN . . . . . . . . . . . . . 2.7 p-10 -89.07 6.38 40.11 Favored 'General case' 0 CA--C 1.528 0.103 0 C-N-CA 122.861 0.464 . . . . 0.0 112.053 -179.725 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 94.6 t -100.03 134.49 39.38 Favored 'Isoleucine or valine' 0 N--CA 1.458 -0.059 0 C-N-CA 122.962 0.505 . . . . 0.0 110.528 -176.343 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 60.1 p -147.38 9.41 0.94 Allowed 'General case' 0 C--O 1.226 -0.133 0 C-N-CA 123.237 0.615 . . . . 0.0 112.241 -179.88 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 7' ' ' ASN . . . . . . . . . . . . . 63.3 t-20 -114.49 101.81 9.48 Favored 'General case' 0 N--CA 1.455 -0.219 0 CA-C-N 119.303 0.956 . . . . 0.0 111.151 -178.642 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 55.3 mtmt -144.5 145.19 31.73 Favored 'General case' 0 C--N 1.34 0.165 0 C-N-CA 124.808 1.243 . . . . 0.0 108.086 174.635 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 76.6 p -112.15 14.43 20.65 Favored 'General case' 0 C--O 1.232 0.147 0 N-CA-C 112.608 0.595 . . . . 0.0 112.608 -173.386 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 12.0 m-20 -65.98 151.46 95.21 Favored Pre-proline 0 N--CA 1.452 -0.363 0 O-C-N 121.983 -0.448 . . . . 0.0 109.919 178.175 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 11' ' ' PRO . . . . . . . . . . . . . 68.5 Cg_endo -67.21 1.31 3.04 Favored 'Trans proline' 0 N--CA 1.455 -0.78 0 C-N-CA 124.5 3.467 . . . . 0.0 112.842 -175.305 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -128.79 -23.76 3.06 Favored 'General case' 0 C--N 1.333 -0.115 0 CA-C-N 118.289 0.495 . . . . 0.0 110.91 176.846 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 47.4 m -84.44 -25.39 29.01 Favored 'General case' 0 C--O 1.226 -0.139 0 CA-C-O 119.291 -0.385 . . . . 0.0 111.232 -179.371 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 14' ' ' MET . . . . . . . . . . . . . 10.9 ptm -91.06 -6.7 53.44 Favored 'General case' 0 CA--C 1.53 0.19 0 CA-C-N 118.847 0.749 . . . . 0.0 111.535 177.364 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 71.4 m-80 -100.5 -19.08 16.36 Favored 'General case' 0 CA--C 1.531 0.232 0 C-N-CA 122.671 0.389 . . . . 0.0 110.803 177.385 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 56.8 p -92.12 11.65 24.73 Favored 'General case' 0 CA--C 1.529 0.152 0 C-N-CA 123.498 0.719 . . . . 0.0 111.537 172.063 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 28.7 ttp-105 -107.62 151.94 24.96 Favored 'General case' 0 N--CA 1.457 -0.118 0 C-N-CA 123.758 0.823 . . . . 0.0 110.29 178.587 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 71.7 t -125.68 131.45 71.99 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.268 0 C-N-CA 122.947 0.499 . . . . 0.0 110.349 178.893 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 31.8 t80 -89.09 133.72 34.27 Favored 'General case' 0 N--CA 1.451 -0.381 0 CA-C-N 115.636 -0.711 . . . . 0.0 109.212 174.279 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 65.9 mt -120.72 85.41 0.92 Allowed 'Isoleucine or valine' 0 CA--C 1.521 -0.149 0 N-CA-C 108.112 -1.07 . . . . 0.0 108.112 178.572 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -84.34 173.45 49.93 Favored Glycine 0 CA--C 1.526 0.76 0 N-CA-C 110.668 -0.973 . . . . 0.0 110.668 178.269 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 58.7 t30 49.73 45.87 24.29 Favored 'General case' 0 CA--C 1.531 0.22 0 C-N-CA 123.106 0.562 . . . . 0.0 111.163 -178.855 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 49.2 tp -96.13 142.99 27.65 Favored 'General case' 0 CA--C 1.531 0.243 0 N-CA-C 109.419 -0.585 . . . . 0.0 109.419 179.299 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 24' ' ' ASN . . . . . 0.408 ' C ' ' H ' ' A' ' 26' ' ' LEU . 65.0 t30 -67.88 -39.74 83.64 Favored 'General case' 0 CA--C 1.529 0.141 0 O-C-N 122.245 -0.285 . . . . 0.0 111.079 -177.973 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 42.4 p 55.57 -2.53 0.03 OUTLIER 'General case' 0 N--CA 1.465 0.313 0 C-N-CA 127.242 2.217 . . . . 0.0 115.362 178.845 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 26' ' ' LEU . . . . . 0.408 ' H ' ' C ' ' A' ' 24' ' ' ASN . 64.5 mt -83.87 -23.61 31.21 Favored 'General case' 0 N--CA 1.453 -0.308 0 C-N-CA 123.115 0.566 . . . . 0.0 111.83 174.638 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 56.1 t -122.53 -23.67 2.68 Favored 'Isoleucine or valine' 0 N--CA 1.461 0.095 0 C-N-CA 122.444 0.298 . . . . 0.0 111.45 -178.341 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 59.5 t -103.58 136.25 37.36 Favored 'Isoleucine or valine' 0 CA--C 1.522 -0.13 0 N-CA-C 109.835 -0.432 . . . . 0.0 109.835 178.308 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 3.7 mppt? -129.42 173.7 10.31 Favored 'General case' 0 CA--C 1.523 -0.071 0 C-N-CA 123.305 0.642 . . . . 0.0 110.073 -177.863 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 9.1 ptmt -66.7 -3.34 6.38 Favored 'General case' 0 N--CA 1.464 0.246 0 C-N-CA 123.935 0.894 . . . . 0.0 112.117 -179.8 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 35.3 m -101.73 0.62 36.27 Favored 'General case' 0 N--CA 1.456 -0.174 0 C-N-CA 123.767 0.827 . . . . 0.0 110.837 174.415 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 37.1 m-20 -116.43 -34.37 4.62 Favored 'General case' 0 N--CA 1.453 -0.3 0 C-N-CA 123.941 0.896 . . . . 0.0 110.835 -179.624 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 99.0 t -65.08 -31.38 53.69 Favored 'Isoleucine or valine' 0 N--CA 1.457 -0.12 0 N-CA-C 109.126 -0.694 . . . . 0.0 109.126 179.68 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 25.1 pt-20 -78.47 7.16 7.05 Favored 'General case' 0 CA--C 1.532 0.268 0 C-N-CA 122.476 0.31 . . . . 0.0 111.769 177.808 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -126.01 -8.02 6.59 Favored 'General case' 0 N--CA 1.455 -0.224 0 C-N-CA 123.213 0.605 . . . . 0.0 110.943 177.355 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 70.7 mt -108.92 -28.4 2.73 Favored 'Isoleucine or valine' 0 C--N 1.338 0.1 0 C-N-CA 122.988 0.515 . . . . 0.0 110.628 178.266 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 37' ' ' PHE . . . . . . . . . . . . . 56.5 m-85 -101.15 -9.03 21.7 Favored 'General case' 0 N--CA 1.454 -0.253 0 C-N-CA 122.756 0.423 . . . . 0.0 111.097 -179.964 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 66.9 p -71.95 -14.71 61.99 Favored 'General case' 0 C--N 1.338 0.079 0 C-N-CA 122.721 0.408 . . . . 0.0 111.675 -178.785 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 18.2 ptmt -82.91 -10.85 58.62 Favored 'General case' 0 CA--C 1.528 0.12 0 C-N-CA 123.327 0.651 . . . . 0.0 112.38 178.894 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 40' ' ' TYR . . . . . . . . . . . . . 79.6 m-85 -105.53 -14.6 15.24 Favored 'General case' 0 C--N 1.34 0.174 0 C-N-CA 122.467 0.307 . . . . 0.0 111.412 177.628 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -176.97 160.62 27.86 Favored Glycine 0 CA--C 1.522 0.499 0 N-CA-C 111.759 -0.537 . . . . 0.0 111.759 174.517 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 78.0 tttt -71.56 113.41 8.57 Favored 'General case' 0 N--CA 1.452 -0.336 0 N-CA-C 108.863 -0.791 . . . . 0.0 108.863 177.477 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 43' ' ' ILE . . . . . . . . . . . . . 77.6 mt -82.77 129.93 36.59 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.279 0 N-CA-C 109.635 -0.506 . . . . 0.0 109.635 -178.463 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 32.9 m -108.08 -6.42 10.73 Favored 'Isoleucine or valine' 0 CA--C 1.527 0.069 0 C-N-CA 123.294 0.637 . . . . 0.0 110.69 178.961 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . -171.32 146.13 9.33 Favored Glycine 0 CA--C 1.523 0.559 0 N-CA-C 110.051 -1.219 . . . . 0.0 110.051 177.202 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 46' ' ' CYS . . . . . . . . . . . . . 42.1 t -149.91 145.03 26.28 Favored 'General case' 0 N--CA 1.45 -0.435 0 CA-C-N 117.088 0.444 . . . . 0.0 110.125 -179.599 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 23.0 t -154.11 149.91 27.6 Favored 'General case' 0 N--CA 1.452 -0.33 0 N-CA-C 110.012 -0.366 . . . . 0.0 110.012 177.344 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 48' ' ' VAL . . . . . . . . . . . . . 92.7 t -125.74 149.8 30.72 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.368 0 N-CA-C 108.967 -0.753 . . . . 0.0 108.967 178.248 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 49' ' ' HIS . . . . . . . . . . . . . 51.5 m-70 -137.47 -170.25 2.7 Favored 'General case' 0 N--CA 1.449 -0.524 0 N-CA-C 107.912 -1.144 . . . . 0.0 107.912 -177.32 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 61.6 tttm -86.12 116.99 24.66 Favored 'General case' 0 N--CA 1.452 -0.348 0 O-C-N 121.763 -0.585 . . . . 0.0 110.281 179.623 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 80.73 -8.4 55.72 Favored Glycine 0 CA--C 1.533 1.179 0 CA-C-O 119.3 -0.722 . . . . 0.0 113.718 179.219 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 48.1 p90 -150.93 168.06 25.68 Favored 'General case' 0 CA--C 1.53 0.204 0 CA-C-N 118.73 1.265 . . . . 0.0 111.385 178.465 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -147.73 171.86 14.99 Favored 'General case' 0 N--CA 1.454 -0.263 0 C-N-CA 123.692 0.797 . . . . 0.0 110.486 176.715 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 54' ' ' PHE . . . . . . . . . . . . . 12.7 m-85 -139.72 143.54 37.07 Favored 'General case' 0 N--CA 1.454 -0.26 0 C-N-CA 123.702 0.801 . . . . 0.0 110.824 -179.849 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 92.3 t -135.65 136.38 50.49 Favored 'Isoleucine or valine' 0 CA--C 1.52 -0.188 0 C-N-CA 123.696 0.798 . . . . 0.0 109.296 178.709 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 56' ' ' GLN . . . . . . . . . . . . . 64.9 tp60 -115.75 134.19 55.27 Favored 'General case' 0 N--CA 1.449 -0.507 0 C-N-CA 123.167 0.587 . . . . 0.0 109.433 -177.551 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 57' ' ' TYR . . . . . 0.44 ' HH ' ' CB ' ' A' ' 66' ' ' ALA . 51.8 m-85 -115.81 177.3 4.72 Favored 'General case' 0 C--O 1.233 0.217 0 C-N-CA 123.181 0.592 . . . . 0.0 110.505 -179.663 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 58' ' ' VAL . . . . . . . . . . . . . 84.7 t -72.03 -30.29 36.02 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.226 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.056 178.462 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 59' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -158.21 168.71 26.3 Favored 'General case' 0 CA--C 1.53 0.192 0 CA-C-O 120.824 0.345 . . . . 0.0 111.856 177.808 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 73.3 tt0 -58.07 -30.71 66.42 Favored 'General case' 0 CA--C 1.53 0.177 0 C-N-CA 123.546 0.738 . . . . 0.0 112.536 -178.836 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 25.7 tpt180 -59.03 -39.14 81.03 Favored 'General case' 0 N--CA 1.457 -0.102 0 CA-C-N 119.228 0.922 . . . . 0.0 110.104 179.869 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 62' ' ' ASN . . . . . . . . . . . . . 18.9 m120 -72.52 -24.65 61.18 Favored 'General case' 0 N--CA 1.45 -0.469 0 C-N-CA 120.854 -0.338 . . . . 0.0 110.762 179.693 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -76.63 -36.89 57.15 Favored 'General case' 0 N--CA 1.451 -0.407 0 N-CA-C 110.308 -0.256 . . . . 0.0 110.308 178.114 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 64' ' ' ARG . . . . . . . . . . . . . 33.2 mmt180 -70.81 -24.1 62.49 Favored 'General case' 0 N--CA 1.456 -0.168 0 N-CA-C 110.316 -0.253 . . . . 0.0 110.316 178.669 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -80.43 -32.82 37.28 Favored 'General case' 0 N--CA 1.453 -0.288 0 N-CA-C 110.608 -0.145 . . . . 0.0 110.608 179.559 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 66' ' ' ALA . . . . . 0.44 ' CB ' ' HH ' ' A' ' 57' ' ' TYR . . . -80.78 -35.0 33.72 Favored 'General case' 0 N--CA 1.45 -0.43 0 O-C-N 122.248 -0.283 . . . . 0.0 111.478 178.39 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 67' ' ' VAL . . . . . . . . . . . . . 45.9 t -64.97 -32.21 57.26 Favored 'Isoleucine or valine' 0 N--CA 1.457 -0.083 0 N-CA-C 109.851 -0.425 . . . . 0.0 109.851 174.906 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -92.73 -9.32 41.09 Favored 'General case' 0 CA--C 1.53 0.18 0 N-CA-C 112.128 0.418 . . . . 0.0 112.128 178.129 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . -103.91 -13.1 28.26 Favored Glycine 0 CA--C 1.53 1.02 0 CA-C-O 119.299 -0.723 . . . . 0.0 114.033 -177.251 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 23.6 mm-40 -134.37 -19.51 1.91 Allowed 'General case' 0 CA--C 1.528 0.124 0 CA-C-N 118.623 1.212 . . . . 0.0 112.633 -174.252 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 23.7 t0 -62.59 115.41 4.25 Favored 'General case' 0 N--CA 1.454 -0.24 0 O-C-N 121.215 -0.928 . . . . 0.0 110.119 178.683 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . 89.48 10.25 65.79 Favored Glycine 0 C--N 1.335 0.513 0 N-CA-C 111.057 -0.817 . . . . 0.0 111.057 179.99 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 73' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -77.1 169.04 19.05 Favored 'General case' 0 N--CA 1.449 -0.488 0 N-CA-C 106.397 -1.705 . . . . 0.0 106.397 171.737 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 74' ' ' MET . . . . . . . . . . . . . 33.9 ttm -114.2 122.43 46.75 Favored 'General case' 0 N--CA 1.449 -0.501 0 N-CA-C 108.936 -0.764 . . . . 0.0 108.936 -176.065 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 75' ' ' ILE . . . . . . . . . . . . . 0.2 OUTLIER -129.36 135.76 60.98 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.417 0 N-CA-C 109.232 -0.655 . . . . 0.0 109.232 179.71 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . 54.42 17.81 1.71 Allowed 'General case' 0 CA--C 1.534 0.346 0 C-N-CA 123.182 0.593 . . . . 0.0 112.179 -174.404 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 88.97 5.07 74.11 Favored Glycine 0 CA--C 1.526 0.778 0 CA-C-O 119.725 -0.486 . . . . 0.0 112.217 -179.348 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 78' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -124.61 131.63 53.46 Favored 'General case' 0 N--CA 1.449 -0.52 0 CA-C-N 117.728 0.764 . . . . 0.0 110.214 -179.787 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 79' ' ' VAL . . . . . . . . . . . . . 54.4 t -63.52 140.45 19.63 Favored 'Isoleucine or valine' 0 C--O 1.227 -0.101 0 C-N-CA 124.093 0.957 . . . . 0.0 110.391 -179.076 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 30.9 mt -94.17 157.77 15.91 Favored 'General case' 0 N--CA 1.457 -0.118 0 CA-C-O 120.696 0.284 . . . . 0.0 111.095 176.952 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 81' ' ' ASP . . . . . . . . . . . . . 28.5 t70 -125.19 100.17 6.42 Favored 'General case' 0 N--CA 1.453 -0.284 0 N-CA-C 107.777 -1.194 . . . . 0.0 107.777 175.681 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 82' ' ' ILE . . . . . . . . . . . . . 64.9 mt -116.08 139.81 41.0 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.337 0 C-N-CA 123.133 0.573 . . . . 0.0 110.361 -169.741 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 83' ' ' ASN . . . . . . . . . . . . . 1.9 p-10 -157.26 164.02 38.13 Favored 'General case' 0 N--CA 1.455 -0.215 0 C-N-CA 122.81 0.444 . . . . 0.0 110.594 178.787 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 84' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -58.7 134.76 57.09 Favored 'General case' 0 N--CA 1.451 -0.399 0 N-CA-C 108.618 -0.882 . . . . 0.0 108.618 176.036 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . -63.74 2.05 0.53 Allowed 'General case' 0 CA--C 1.535 0.365 0 N-CA-C 113.64 0.978 . . . . 0.0 113.64 -176.681 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . -128.89 3.66 5.37 Favored 'General case' 0 CA--C 1.53 0.198 0 CA-C-N 118.367 0.531 . . . . 0.0 111.397 178.864 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 80.3 mm-40 -138.39 65.77 42.4 Favored Pre-proline 0 N--CA 1.454 -0.258 0 C-N-CA 123.404 0.682 . . . . 0.0 110.056 -179.426 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 88' ' ' PRO . . . . . . . . . . . . . 56.4 Cg_endo -63.16 146.72 94.33 Favored 'Trans proline' 0 N--CA 1.45 -1.033 0 C-N-CA 122.978 2.452 . . . . 0.0 109.55 176.643 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 89' ' ' LYS . . . . . 0.469 ' HG3' ' H ' ' A' ' 90' ' ' VAL . 15.9 ptpt -88.23 -106.32 0.08 Allowed 'General case' 0 N--CA 1.452 -0.368 0 CA-C-N 115.466 -0.788 . . . . 0.0 111.006 -173.039 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 90' ' ' VAL . . . . . 0.469 ' H ' ' HG3' ' A' ' 89' ' ' LYS . 67.9 t -143.73 -31.16 0.15 Allowed 'Isoleucine or valine' 0 N--CA 1.462 0.135 0 C-N-CA 123.81 0.844 . . . . 0.0 111.682 -173.041 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 91' ' ' ASN . . . . . . . . . . . . . 30.0 m-80 -86.09 2.55 46.19 Favored 'General case' 0 N--CA 1.454 -0.253 0 N-CA-C 112.776 0.658 . . . . 0.0 112.776 -174.625 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 92' ' ' ARG . . . . . . . . . . . . . 73.2 ttp85 -65.24 89.38 0.09 Allowed 'General case' 0 CA--C 1.529 0.149 0 N-CA-C 108.999 -0.741 . . . . 0.0 108.999 178.387 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . -179.37 56.52 0.08 OUTLIER Glycine 0 CA--C 1.523 0.536 0 CA-C-O 119.866 -0.408 . . . . 0.0 113.861 -179.568 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 52.2 tttp 62.56 -24.06 0.05 Allowed 'General case' 0 CA--C 1.53 0.188 0 N-CA-C 115.715 1.746 . . . . 0.0 115.715 175.788 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . -156.22 157.9 36.64 Favored 'General case' 0 N--CA 1.453 -0.311 0 CA-C-N 118.898 0.772 . . . . 0.0 110.908 -178.419 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . -80.19 -9.89 86.09 Favored Glycine 0 CA--C 1.527 0.799 0 N-CA-C 111.681 -0.567 . . . . 0.0 111.681 177.386 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 97' ' ' VAL . . . . . 0.402 HG12 ' H ' ' A' ' 99' ' ' ARG . 62.0 t -92.49 137.1 22.99 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.216 0 N-CA-C 109.333 -0.617 . . . . 0.0 109.333 178.595 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 98' ' ' LYS . . . . . . . . . . . . . 74.9 mmtt -122.66 22.48 9.82 Favored 'General case' 0 CA--C 1.528 0.114 0 C-N-CA 123.425 0.69 . . . . 0.0 111.305 -176.236 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 99' ' ' ARG . . . . . 0.402 ' H ' HG12 ' A' ' 97' ' ' VAL . 18.7 tpt180 -119.78 172.0 8.01 Favored 'General case' 0 N--CA 1.456 -0.149 0 C-N-CA 124.02 0.928 . . . . 0.0 109.724 -179.358 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 70.1 m -62.6 -15.75 53.08 Favored 'General case' 0 N--CA 1.455 -0.207 0 C-N-CA 123.262 0.625 . . . . 0.0 112.194 179.606 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 101' ' ' ALA . . . . . . . . . . . . . . . 51.9 18.08 0.74 Allowed 'General case' 0 CA--C 1.535 0.371 0 C-N-CA 124.029 0.932 . . . . 0.0 112.367 -176.01 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -149.35 12.1 0.81 Allowed 'General case' 0 N--CA 1.453 -0.28 0 C-N-CA 123.585 0.754 . . . . 0.0 111.174 -178.102 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 22.1 pt-20 -70.0 -5.85 29.31 Favored 'General case' 0 CA--C 1.529 0.156 0 N-CA-C 112.397 0.517 . . . . 0.0 112.397 -176.791 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 104' ' ' MET . . . . . . . . . . . . . 25.1 ptp -132.48 8.64 4.27 Favored 'General case' 0 N--CA 1.456 -0.144 0 C-N-CA 123.337 0.655 . . . . 0.0 111.836 -179.313 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 105' ' ' TYR . . . . . . . . . . . . . 17.3 m-85 -116.72 0.79 12.68 Favored 'General case' 0 CA--C 1.528 0.117 0 C-N-CA 123.284 0.633 . . . . 0.0 111.421 179.734 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 106' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.525 0.673 0 N-CA-C 111.389 -0.684 . . . . 0.0 111.389 179.224 . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' B' B ' 1' ' ' ' U' . . . . . 0.413 HO2' ' P ' ' B' ' 2' ' ' ' U' . . . . . . . . 0 O4'--C4' 1.422 -2.598 0 O4'-C1'-N19 112.031 3.831 . 0.0 '__' . 0.0 . . . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 2' ' ' ' U' . . . . . 0.414 " H4'" " H5'" ' B' ' 3' ' ' ' U' . . . . . . . . 0 O4'--C4' 1.42 -2.709 0 O4'-C1'-N19 111.436 3.236 . 0.097 4b . 0.0 . . . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 3' ' ' ' U' . . . . . 0.414 " H5'" " H4'" ' B' ' 2' ' ' ' U' . . . . . . . . 0 O4'--C4' 1.42 -2.75 0 C5'-C4'-C3' 111.304 -2.798 . 0.446 0b . 0.0 . . . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 4' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.422 -2.621 1 O4'-C1'-N19 112.774 4.574 . 0.144 4b . 0.0 . . . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 5' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.423 -2.529 0 C5'-C4'-C3' 110.042 -3.639 . 0.0 OUTLIER delta 0.0 . . . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.472 0.653 0 CA-C-O 120.45 0.167 . . . . 0.0 110.81 . . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 35.8 t -69.15 158.52 34.74 Favored 'General case' 0 C--N 1.337 0.051 0 C-N-CA 122.847 0.459 . . . . 0.0 110.37 178.275 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 4' ' ' ASN . . . . . . . . . . . . . 3.6 p-10 -86.04 1.46 50.22 Favored 'General case' 0 CA--C 1.531 0.224 0 C-N-CA 122.803 0.441 . . . . 0.0 111.513 178.35 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 96.5 t -99.18 136.57 29.74 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.181 0 C-N-CA 122.651 0.38 . . . . 0.0 111.18 -176.384 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 58.8 p -146.4 2.4 0.85 Allowed 'General case' 0 CA--C 1.528 0.104 0 C-N-CA 123.376 0.67 . . . . 0.0 111.477 179.625 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 7' ' ' ASN . . . . . . . . . . . . . 60.0 t-20 -101.86 98.17 8.45 Favored 'General case' 0 N--CA 1.455 -0.224 0 O-C-N 121.441 -0.787 . . . . 0.0 111.1 -176.671 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 58.0 mtmt -142.56 145.44 33.59 Favored 'General case' 0 CA--C 1.529 0.14 0 C-N-CA 124.391 1.076 . . . . 0.0 108.847 176.39 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 74.9 p -117.5 15.42 14.66 Favored 'General case' 0 N--CA 1.463 0.187 0 N-CA-C 112.559 0.578 . . . . 0.0 112.559 -173.005 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 14.7 m-20 -65.11 151.41 93.73 Favored Pre-proline 0 CA--C 1.531 0.227 0 O-C-N 122.132 -0.355 . . . . 0.0 110.24 177.664 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 11' ' ' PRO . . . . . . . . . . . . . 57.6 Cg_endo -65.51 -1.23 4.48 Favored 'Trans proline' 0 N--CA 1.455 -0.749 0 C-N-CA 124.177 3.251 . . . . 0.0 113.002 -174.44 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -129.38 -25.92 2.61 Favored 'General case' 0 C--N 1.338 0.092 0 CA-C-N 118.255 0.479 . . . . 0.0 110.249 178.183 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 36.5 m -80.32 -22.72 41.22 Favored 'General case' 0 C--N 1.333 -0.122 0 O-C-N 121.991 -0.443 . . . . 0.0 111.665 -179.892 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 14' ' ' MET . . . . . . . . . . . . . 12.7 ptm -91.71 2.73 56.29 Favored 'General case' 0 N--CA 1.455 -0.19 0 CA-C-N 118.48 0.582 . . . . 0.0 111.591 175.498 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 71.3 m-80 -111.66 -22.93 10.94 Favored 'General case' 0 CA--C 1.528 0.128 0 C-N-CA 123.028 0.531 . . . . 0.0 110.083 175.182 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 88.3 p -84.01 1.57 43.14 Favored 'General case' 0 N--CA 1.456 -0.138 0 O-C-N 122.101 -0.374 . . . . 0.0 110.711 169.555 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 31.2 ttp-105 -97.97 150.44 21.35 Favored 'General case' 0 N--CA 1.454 -0.236 0 C-N-CA 123.221 0.609 . . . . 0.0 109.954 175.632 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 93.8 t -126.53 129.52 71.74 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.387 0 C-N-CA 123.109 0.564 . . . . 0.0 109.733 179.192 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 20.2 t80 -89.47 133.98 34.31 Favored 'General case' 0 N--CA 1.449 -0.52 0 CA-C-N 115.301 -0.863 . . . . 0.0 109.175 175.601 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 64.8 mt -120.53 83.69 0.8 Allowed 'Isoleucine or valine' 0 CA--C 1.521 -0.158 0 N-CA-C 107.862 -1.162 . . . . 0.0 107.862 179.765 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -84.36 174.89 50.88 Favored Glycine 0 CA--C 1.526 0.728 0 N-CA-C 110.675 -0.97 . . . . 0.0 110.675 178.674 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 58.8 t30 48.46 47.26 20.35 Favored 'General case' 0 CA--C 1.531 0.22 0 C-N-CA 122.943 0.497 . . . . 0.0 110.758 -178.407 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 58.7 tp -99.28 144.55 28.27 Favored 'General case' 0 N--CA 1.455 -0.176 0 N-CA-C 109.396 -0.594 . . . . 0.0 109.396 179.535 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 24' ' ' ASN . . . . . 0.42 ' C ' ' H ' ' A' ' 26' ' ' LEU . 64.7 t30 -69.6 -37.95 77.1 Favored 'General case' 0 CA--C 1.532 0.266 0 O-C-N 122.267 -0.27 . . . . 0.0 111.171 -177.542 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 60.0 p 53.97 -2.58 0.02 OUTLIER 'General case' 0 N--CA 1.464 0.248 0 C-N-CA 127.668 2.387 . . . . 0.0 115.49 179.129 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 26' ' ' LEU . . . . . 0.42 ' H ' ' C ' ' A' ' 24' ' ' ASN . 85.3 mt -87.37 -20.55 26.56 Favored 'General case' 0 N--CA 1.452 -0.363 0 C-N-CA 123.235 0.614 . . . . 0.0 111.627 175.809 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 57.6 t -120.95 -26.07 2.33 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.236 0 C-N-CA 122.533 0.333 . . . . 0.0 111.635 -178.78 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 56.7 t -100.69 146.07 9.98 Favored 'Isoleucine or valine' 0 C--O 1.23 0.077 0 CA-C-N 118.065 0.393 . . . . 0.0 110.369 179.203 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 7.9 mptt -135.04 171.98 13.66 Favored 'General case' 0 CA--C 1.523 -0.07 0 C-N-CA 123.451 0.7 . . . . 0.0 110.142 -178.746 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 5.5 ptmm? -65.16 -8.18 15.87 Favored 'General case' 0 CA--C 1.53 0.197 0 C-N-CA 124.076 0.95 . . . . 0.0 111.85 178.839 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 39.3 m -97.0 -1.24 45.93 Favored 'General case' 0 CA--C 1.528 0.132 0 C-N-CA 123.252 0.621 . . . . 0.0 110.894 175.882 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 21.1 m-20 -114.26 -34.54 5.28 Favored 'General case' 0 N--CA 1.454 -0.245 0 C-N-CA 123.836 0.855 . . . . 0.0 110.271 179.587 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 72.0 t -62.48 -32.88 56.7 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.24 0 N-CA-C 109.391 -0.596 . . . . 0.0 109.391 177.942 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 23.5 pt-20 -79.11 7.78 6.89 Favored 'General case' 0 CA--C 1.529 0.171 0 N-CA-C 112.075 0.398 . . . . 0.0 112.075 178.242 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -127.3 -6.58 5.91 Favored 'General case' 0 CA--C 1.53 0.191 0 C-N-CA 123.237 0.615 . . . . 0.0 111.31 176.973 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 78.1 mt -110.85 -27.97 2.72 Favored 'Isoleucine or valine' 0 CA--C 1.528 0.13 0 C-N-CA 123.272 0.629 . . . . 0.0 110.735 178.638 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 37' ' ' PHE . . . . . . . . . . . . . 65.6 m-85 -103.13 -8.61 20.36 Favored 'General case' 0 N--CA 1.456 -0.158 0 C-N-CA 122.612 0.365 . . . . 0.0 110.779 179.932 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 64.6 p -72.9 -14.7 61.53 Favored 'General case' 0 C--O 1.232 0.134 0 C-N-CA 122.4 0.28 . . . . 0.0 111.721 -179.056 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 13.0 ptmm? -83.11 -9.82 59.01 Favored 'General case' 0 CA--C 1.528 0.106 0 C-N-CA 123.496 0.718 . . . . 0.0 112.296 179.106 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 40' ' ' TYR . . . . . . . . . . . . . 85.3 m-85 -106.79 -14.6 14.95 Favored 'General case' 0 C--O 1.23 0.075 0 C-N-CA 122.454 0.301 . . . . 0.0 111.226 177.684 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -177.72 162.2 29.84 Favored Glycine 0 CA--C 1.523 0.533 0 N-CA-C 111.712 -0.555 . . . . 0.0 111.712 175.027 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 78.8 tttt -73.64 114.14 11.55 Favored 'General case' 0 N--CA 1.452 -0.353 0 N-CA-C 108.979 -0.749 . . . . 0.0 108.979 178.075 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 43' ' ' ILE . . . . . . . . . . . . . 77.6 mt -83.43 130.54 35.62 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.23 0 N-CA-C 109.581 -0.526 . . . . 0.0 109.581 -178.418 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 33.7 m -109.61 -8.47 11.38 Favored 'Isoleucine or valine' 0 CA--C 1.526 0.054 0 C-N-CA 123.24 0.616 . . . . 0.0 110.602 179.072 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . -168.94 147.61 11.4 Favored Glycine 0 CA--C 1.524 0.632 0 N-CA-C 109.776 -1.329 . . . . 0.0 109.776 178.004 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 46' ' ' CYS . . . . . . . . . . . . . 22.1 p -151.24 153.74 35.47 Favored 'General case' 0 N--CA 1.451 -0.411 0 O-C-N 122.51 -0.406 . . . . 0.0 110.26 179.739 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 90.1 p -157.09 148.94 22.56 Favored 'General case' 0 N--CA 1.452 -0.349 0 N-CA-C 109.999 -0.371 . . . . 0.0 109.999 176.176 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 48' ' ' VAL . . . . . . . . . . . . . 86.3 t -125.35 145.48 32.64 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.238 0 N-CA-C 109.019 -0.734 . . . . 0.0 109.019 174.641 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 49' ' ' HIS . . . . . . . . . . . . . 46.9 m-70 -133.5 -163.69 1.39 Allowed 'General case' 0 N--CA 1.451 -0.386 0 N-CA-C 108.347 -0.982 . . . . 0.0 108.347 -176.225 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 96.8 mttt -90.0 115.58 27.4 Favored 'General case' 0 N--CA 1.454 -0.231 0 N-CA-C 109.709 -0.478 . . . . 0.0 109.709 177.099 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 81.31 -8.65 57.68 Favored Glycine 0 CA--C 1.529 0.941 0 CA-C-O 119.467 -0.63 . . . . 0.0 113.854 178.702 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 49.8 p90 -151.32 169.96 20.69 Favored 'General case' 0 C--N 1.339 0.137 0 CA-C-N 118.751 1.276 . . . . 0.0 111.761 178.579 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -148.94 171.64 16.0 Favored 'General case' 0 CA--C 1.533 0.292 0 C-N-CA 123.819 0.848 . . . . 0.0 109.794 176.436 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 54' ' ' PHE . . . . . . . . . . . . . 15.9 m-85 -139.94 148.25 41.7 Favored 'General case' 0 C--O 1.233 0.211 0 C-N-CA 123.428 0.691 . . . . 0.0 110.172 179.423 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 99.3 t -138.04 137.87 44.14 Favored 'Isoleucine or valine' 0 CA--C 1.519 -0.231 0 C-N-CA 123.731 0.812 . . . . 0.0 109.001 178.416 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 56' ' ' GLN . . . . . . . . . . . . . 57.1 tp60 -117.82 130.95 56.59 Favored 'General case' 0 N--CA 1.452 -0.342 0 N-CA-C 109.166 -0.679 . . . . 0.0 109.166 -177.291 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 57' ' ' TYR . . . . . 0.443 ' HH ' ' CB ' ' A' ' 66' ' ' ALA . 52.5 m-85 -112.08 176.25 5.1 Favored 'General case' 0 N--CA 1.453 -0.307 0 C-N-CA 122.843 0.457 . . . . 0.0 110.943 179.701 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 58' ' ' VAL . . . . . . . . . . . . . 80.3 t -71.97 -31.44 40.52 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.309 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.418 179.12 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 59' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -155.67 170.04 22.94 Favored 'General case' 0 N--CA 1.456 -0.165 0 N-CA-C 111.906 0.336 . . . . 0.0 111.906 177.619 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 60.4 tt0 -58.85 -31.61 68.67 Favored 'General case' 0 CA--C 1.531 0.225 0 C-N-CA 123.475 0.71 . . . . 0.0 112.123 -178.041 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 25.5 tpt180 -58.59 -39.73 81.2 Favored 'General case' 0 C--N 1.339 0.123 0 CA-C-N 119.013 0.824 . . . . 0.0 110.146 -179.599 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 62' ' ' ASN . . . . . . . . . . . . . 19.0 m120 -71.59 -24.68 61.95 Favored 'General case' 0 N--CA 1.449 -0.484 0 O-C-N 122.225 -0.297 . . . . 0.0 110.968 -179.542 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -77.06 -36.72 55.69 Favored 'General case' 0 N--CA 1.454 -0.247 0 O-C-N 122.387 -0.196 . . . . 0.0 110.516 177.964 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 64' ' ' ARG . . . . . . . . . . . . . 41.3 mmt180 -68.55 -25.9 65.15 Favored 'General case' 0 N--CA 1.46 0.063 0 N-CA-C 110.222 -0.288 . . . . 0.0 110.222 178.109 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -80.67 -33.6 35.4 Favored 'General case' 0 N--CA 1.454 -0.241 0 CA-C-N 117.438 0.108 . . . . 0.0 110.747 -178.854 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 66' ' ' ALA . . . . . 0.443 ' CB ' ' HH ' ' A' ' 57' ' ' TYR . . . -80.88 -35.45 32.58 Favored 'General case' 0 N--CA 1.451 -0.387 0 O-C-N 122.088 -0.383 . . . . 0.0 111.206 178.666 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 67' ' ' VAL . . . . . . . . . . . . . 48.9 t -64.55 -33.67 64.58 Favored 'Isoleucine or valine' 0 C--N 1.338 0.089 0 N-CA-C 109.907 -0.405 . . . . 0.0 109.907 175.452 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -91.8 -9.11 44.73 Favored 'General case' 0 N--CA 1.455 -0.206 0 N-CA-C 112.082 0.401 . . . . 0.0 112.082 178.37 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . -104.61 -12.04 29.42 Favored Glycine 0 CA--C 1.53 1.015 0 CA-C-O 119.276 -0.736 . . . . 0.0 114.21 -177.475 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 27.6 mm-40 -135.16 -19.53 1.72 Allowed 'General case' 0 CA--C 1.53 0.18 0 CA-C-N 118.623 1.212 . . . . 0.0 112.516 -174.698 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 23.7 t0 -62.17 117.33 5.89 Favored 'General case' 0 C--O 1.234 0.266 0 CA-C-N 118.955 0.798 . . . . 0.0 109.954 178.932 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . 87.98 10.53 69.09 Favored Glycine 0 C--N 1.337 0.595 0 N-CA-C 111.105 -0.798 . . . . 0.0 111.105 179.888 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 73' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -76.59 169.25 18.61 Favored 'General case' 0 N--CA 1.449 -0.494 0 N-CA-C 106.226 -1.768 . . . . 0.0 106.226 171.635 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 74' ' ' MET . . . . . . . . . . . . . 33.2 ttm -114.21 122.46 46.84 Favored 'General case' 0 N--CA 1.452 -0.357 0 N-CA-C 109.248 -0.649 . . . . 0.0 109.248 -176.633 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 75' ' ' ILE . . . . . . . . . . . . . 0.3 OUTLIER -130.12 136.24 59.18 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.383 0 N-CA-C 109.501 -0.555 . . . . 0.0 109.501 179.296 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . 54.26 18.44 1.83 Allowed 'General case' 0 CA--C 1.534 0.337 0 C-N-CA 123.302 0.641 . . . . 0.0 112.056 -173.776 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 88.71 4.3 76.13 Favored Glycine 0 CA--C 1.527 0.81 0 N-CA-C 111.903 -0.479 . . . . 0.0 111.903 -179.312 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 78' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -124.32 131.26 53.51 Favored 'General case' 0 N--CA 1.452 -0.369 0 CA-C-N 117.993 0.896 . . . . 0.0 110.385 -179.131 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 79' ' ' VAL . . . . . . . . . . . . . 48.4 t -63.2 140.22 19.99 Favored 'Isoleucine or valine' 0 C--O 1.228 -0.064 0 C-N-CA 124.38 1.072 . . . . 0.0 110.282 -179.02 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 32.7 mt -94.58 157.46 15.97 Favored 'General case' 0 N--CA 1.455 -0.199 0 CA-C-O 120.623 0.249 . . . . 0.0 111.198 177.041 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 81' ' ' ASP . . . . . . . . . . . . . 29.9 t70 -122.52 102.04 7.84 Favored 'General case' 0 N--CA 1.456 -0.174 0 N-CA-C 107.911 -1.144 . . . . 0.0 107.911 174.11 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 82' ' ' ILE . . . . . . . . . . . . . 63.0 mt -116.63 139.56 42.91 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.235 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.113 -171.078 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 83' ' ' ASN . . . . . . . . . . . . . 1.8 p-10 -159.71 166.51 30.36 Favored 'General case' 0 N--CA 1.453 -0.277 0 C-N-CA 123.208 0.603 . . . . 0.0 110.121 -179.71 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 84' ' ' LEU . . . . . . . . . . . . . 1.6 tp -60.83 143.92 53.75 Favored 'General case' 0 N--CA 1.452 -0.341 0 N-CA-C 109.109 -0.701 . . . . 0.0 109.109 175.626 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . -66.07 3.04 0.93 Allowed 'General case' 0 CA--C 1.535 0.401 0 N-CA-C 112.886 0.698 . . . . 0.0 112.886 -178.72 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . -136.93 5.28 2.82 Favored 'General case' 0 N--CA 1.454 -0.226 0 C-N-CA 123.047 0.539 . . . . 0.0 111.678 178.121 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 78.8 mt-10 -141.63 67.22 23.95 Favored Pre-proline 0 CA--C 1.53 0.189 0 C-N-CA 122.964 0.505 . . . . 0.0 110.208 -179.343 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 88' ' ' PRO . . . . . . . . . . . . . 64.1 Cg_endo -65.98 141.85 66.11 Favored 'Trans proline' 0 N--CA 1.451 -0.976 0 C-N-CA 122.881 2.388 . . . . 0.0 108.028 175.539 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 89' ' ' LYS . . . . . 0.462 ' HG3' ' H ' ' A' ' 90' ' ' VAL . 3.2 ptpp? -56.91 -64.58 0.83 Allowed 'General case' 0 C--N 1.34 0.181 0 N-CA-C 112.84 0.682 . . . . 0.0 112.84 -169.915 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 90' ' ' VAL . . . . . 0.462 ' H ' ' HG3' ' A' ' 89' ' ' LYS . 94.8 t -146.97 -38.58 0.11 Allowed 'Isoleucine or valine' 0 C--N 1.334 -0.069 0 CA-C-N 117.933 0.333 . . . . 0.0 110.411 179.091 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 91' ' ' ASN . . . . . . . . . . . . . 50.2 m-80 -129.34 175.89 8.38 Favored 'General case' 0 N--CA 1.452 -0.358 0 C-N-CA 123.078 0.551 . . . . 0.0 109.706 -177.16 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 92' ' ' ARG . . . . . . . . . . . . . 36.8 ttm180 -144.31 -49.4 0.28 Allowed 'General case' 0 N--CA 1.455 -0.204 0 N-CA-C 111.726 0.269 . . . . 0.0 111.726 -179.678 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . -77.13 117.51 4.85 Favored Glycine 0 CA--C 1.522 0.5 0 N-CA-C 113.881 0.312 . . . . 0.0 113.881 -169.776 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 54.1 mtmt 55.52 -13.89 0.01 OUTLIER 'General case' 0 CA--C 1.533 0.327 0 C-N-CA 127.342 2.257 . . . . 0.0 116.737 172.492 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . -161.35 164.26 30.18 Favored 'General case' 0 N--CA 1.454 -0.246 0 CA-C-N 119.827 1.194 . . . . 0.0 111.444 -179.113 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . -102.89 6.24 51.46 Favored Glycine 0 C--N 1.339 0.711 0 CA-C-O 119.172 -0.793 . . . . 0.0 111.424 177.751 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 97' ' ' VAL . . . . . . . . . . . . . 13.3 p -57.82 131.76 21.99 Favored 'Isoleucine or valine' 0 N--CA 1.457 -0.089 0 CA-C-N 118.378 1.089 . . . . 0.0 110.14 -176.43 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 98' ' ' LYS . . . . . . . . . . . . . 10.6 ptpt -127.1 29.39 5.61 Favored 'General case' 0 N--CA 1.456 -0.167 0 C-N-CA 124.087 0.955 . . . . 0.0 111.45 -169.77 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 99' ' ' ARG . . . . . 0.481 ' HE ' ' CD ' ' A' ' 103' ' ' GLU . 2.4 tpt180 -133.72 163.49 29.34 Favored 'General case' 0 N--CA 1.455 -0.183 0 C-N-CA 123.724 0.809 . . . . 0.0 109.253 -179.892 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 61.7 m -68.79 -11.58 60.53 Favored 'General case' 0 N--CA 1.455 -0.184 0 C-N-CA 122.58 0.352 . . . . 0.0 111.305 177.724 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 101' ' ' ALA . . . . . . . . . . . . . . . 50.96 14.31 0.18 Allowed 'General case' 0 CA--C 1.538 0.483 0 C-N-CA 124.455 1.102 . . . . 0.0 113.055 -175.325 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -150.02 4.12 0.54 Allowed 'General case' 0 N--CA 1.455 -0.197 0 C-N-CA 122.908 0.483 . . . . 0.0 112.128 -178.465 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 103' ' ' GLU . . . . . 0.481 ' CD ' ' HE ' ' A' ' 99' ' ' ARG . 11.2 pt-20 -76.37 -3.53 37.44 Favored 'General case' 0 CA--C 1.53 0.182 0 N-CA-C 112.315 0.487 . . . . 0.0 112.315 -176.332 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 104' ' ' MET . . . . . . . . . . . . . 72.4 mtm -105.09 8.27 34.17 Favored 'General case' 0 CA--C 1.53 0.207 0 C-N-CA 123.717 0.807 . . . . 0.0 111.271 -179.816 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 105' ' ' TYR . . . . . . . . . . . . . 51.9 m-85 -132.35 1.48 3.79 Favored 'General case' 0 N--CA 1.456 -0.13 0 C-N-CA 122.864 0.466 . . . . 0.0 111.794 -177.737 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 106' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.527 0.789 0 N-CA-C 111.389 -0.684 . . . . 0.0 111.389 178.843 . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' B' B ' 1' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.422 -2.625 0 O4'-C1'-N19 111.419 3.219 . 0.0 '__' . 0.0 . . . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' B' B ' 2' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.421 -2.698 1 O4'-C1'-N19 112.552 4.352 . 0.0 OUTLIER '7D dist 4b' 0.0 . . . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 3' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.42 -2.731 0 C5'-C4'-C3' 111.445 -2.703 . 0.098 0b . 0.0 . . . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' B' B ' 4' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.422 -2.588 1 O4'-C1'-N19 112.63 4.43 . 0.203 4b . 0.0 . . . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 5' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.417 -2.976 1 O4'-C1'-N19 114.33 6.13 . 0.149 6p . 0.0 . . . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.477 0.901 0 N-CA-C 110.697 -0.112 . . . . 0.0 110.697 . . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 33.2 t -65.58 159.97 23.48 Favored 'General case' 0 N--CA 1.456 -0.164 0 C-N-CA 122.364 0.266 . . . . 0.0 110.69 178.751 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 4' ' ' ASN . . . . . . . . . . . . . 4.0 p-10 -91.74 2.9 56.18 Favored 'General case' 0 C--N 1.333 -0.127 0 C-N-CA 123.03 0.532 . . . . 0.0 111.261 177.951 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 64.2 t -99.04 135.35 34.47 Favored 'Isoleucine or valine' 0 C--N 1.339 0.129 0 C-N-CA 122.747 0.419 . . . . 0.0 111.331 -176.307 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 76.3 p -149.9 9.06 0.67 Allowed 'General case' 0 CA--C 1.532 0.258 0 C-N-CA 123.83 0.852 . . . . 0.0 112.152 -177.735 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 7' ' ' ASN . . . . . . . . . . . . . 41.0 p30 -105.21 20.0 19.62 Favored 'General case' 0 CA--C 1.532 0.275 0 N-CA-C 114.6 1.333 . . . . 0.0 114.6 -172.779 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 54.3 mtmt -66.49 139.51 57.96 Favored 'General case' 0 C--N 1.339 0.152 0 N-CA-C 109.495 -0.557 . . . . 0.0 109.495 177.76 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 71.6 p -110.21 15.58 22.28 Favored 'General case' 0 C--N 1.333 -0.113 0 N-CA-C 113.152 0.797 . . . . 0.0 113.152 -173.052 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 15.7 m-20 -63.94 150.84 90.81 Favored Pre-proline 0 CA--C 1.533 0.298 0 O-C-N 122.14 -0.35 . . . . 0.0 110.087 178.075 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 11' ' ' PRO . . . . . . . . . . . . . 56.5 Cg_endo -64.62 -6.56 12.45 Favored 'Trans proline' 0 N--CA 1.456 -0.73 0 C-N-CA 123.651 2.901 . . . . 0.0 112.654 -175.209 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 3.2 tmm_? -115.32 -36.27 4.38 Favored 'General case' 0 C--O 1.226 -0.142 0 N-CA-C 109.646 -0.501 . . . . 0.0 109.646 177.593 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 50.8 m -70.44 -24.53 62.91 Favored 'General case' 0 N--CA 1.456 -0.171 0 CA-C-O 119.739 -0.172 . . . . 0.0 111.311 -179.33 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 14' ' ' MET . . . . . . . . . . . . . 14.6 ptm -90.53 2.53 55.68 Favored 'General case' 0 N--CA 1.453 -0.286 0 CA-C-N 118.184 0.447 . . . . 0.0 111.981 177.281 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 60.1 m-80 -113.69 -23.15 9.87 Favored 'General case' 0 C--N 1.339 0.117 0 C-N-CA 123.125 0.57 . . . . 0.0 110.516 173.894 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 88.9 p -84.44 1.6 44.66 Favored 'General case' 0 CA--C 1.531 0.237 0 C-N-CA 122.539 0.336 . . . . 0.0 110.464 169.496 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 29.3 ttp-105 -98.88 151.18 21.13 Favored 'General case' 0 CA--C 1.52 -0.175 0 C-N-CA 123.149 0.58 . . . . 0.0 110.132 175.897 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 83.4 t -125.05 128.08 72.78 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.37 0 C-N-CA 123.03 0.532 . . . . 0.0 109.724 178.958 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 19' ' ' PHE . . . . . 0.439 ' CZ ' H5'' ' B' ' 2' ' ' ' U' . 13.4 t80 -87.66 130.53 34.76 Favored 'General case' 0 N--CA 1.451 -0.41 0 N-CA-C 108.823 -0.806 . . . . 0.0 108.823 174.591 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 62.4 mt -118.37 84.72 0.83 Allowed 'Isoleucine or valine' 0 CA--C 1.52 -0.21 0 N-CA-C 107.737 -1.208 . . . . 0.0 107.737 179.238 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -85.67 175.05 48.77 Favored Glycine 0 CA--C 1.523 0.539 0 N-CA-C 110.827 -0.909 . . . . 0.0 110.827 178.723 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 54.8 t30 48.98 47.48 21.7 Favored 'General case' 0 N--CA 1.453 -0.301 0 C-N-CA 122.984 0.514 . . . . 0.0 110.359 -178.262 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 56.7 tp -100.28 145.65 27.86 Favored 'General case' 0 N--CA 1.454 -0.253 0 C-N-CA 123.14 0.576 . . . . 0.0 109.777 179.773 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 64.3 t30 -70.59 -36.98 73.84 Favored 'General case' 0 C--N 1.338 0.105 0 CA-C-N 117.886 0.312 . . . . 0.0 111.518 -177.57 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 48.7 p 50.72 9.45 0.05 OUTLIER 'General case' 0 N--CA 1.467 0.417 0 C-N-CA 126.406 1.882 . . . . 0.0 114.858 178.877 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 3.3 mm? -102.83 -14.4 16.6 Favored 'General case' 0 CA--C 1.531 0.23 0 C-N-CA 123.84 0.856 . . . . 0.0 111.161 176.469 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 63.5 t -126.3 -24.81 1.63 Allowed 'Isoleucine or valine' 0 C--N 1.34 0.16 0 C-N-CA 122.679 0.392 . . . . 0.0 110.608 178.75 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 47.4 t -102.33 146.59 10.15 Favored 'Isoleucine or valine' 0 C--O 1.232 0.159 0 N-CA-C 110.194 -0.299 . . . . 0.0 110.194 178.896 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 8.1 mptt -135.89 172.58 12.8 Favored 'General case' 0 C--N 1.34 0.157 0 C-N-CA 123.343 0.657 . . . . 0.0 110.207 -178.819 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 10.3 ptmt -68.09 -4.45 13.62 Favored 'General case' 0 CA--C 1.53 0.206 0 C-N-CA 123.574 0.75 . . . . 0.0 112.039 179.419 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 37.6 m -99.86 0.03 40.61 Favored 'General case' 0 CA--C 1.529 0.144 0 C-N-CA 123.385 0.674 . . . . 0.0 110.539 174.365 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 21.2 m-20 -116.05 -33.4 5.07 Favored 'General case' 0 N--CA 1.452 -0.33 0 C-N-CA 123.729 0.812 . . . . 0.0 110.819 179.8 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 72.9 t -65.49 -30.82 51.34 Favored 'Isoleucine or valine' 0 N--CA 1.457 -0.114 0 N-CA-C 108.981 -0.748 . . . . 0.0 108.981 178.809 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 24.9 pt-20 -79.34 8.78 5.53 Favored 'General case' 0 CA--C 1.53 0.206 0 N-CA-C 111.765 0.283 . . . . 0.0 111.765 178.089 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -127.03 -8.51 5.98 Favored 'General case' 0 N--CA 1.454 -0.269 0 C-N-CA 123.306 0.642 . . . . 0.0 111.017 176.183 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 77.6 mt -107.76 -26.34 3.32 Favored 'Isoleucine or valine' 0 C--N 1.339 0.138 0 C-N-CA 123.41 0.684 . . . . 0.0 110.676 178.398 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 37' ' ' PHE . . . . . . . . . . . . . 63.2 m-85 -105.81 -5.57 19.7 Favored 'General case' 0 N--CA 1.456 -0.15 0 C-N-CA 122.819 0.448 . . . . 0.0 110.94 -179.78 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 77.6 p -76.02 -14.38 60.22 Favored 'General case' 0 N--CA 1.456 -0.144 0 O-C-N 122.229 -0.294 . . . . 0.0 111.271 -179.88 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 13.5 ptmm? -80.43 -11.68 59.66 Favored 'General case' 0 N--CA 1.456 -0.149 0 C-N-CA 123.129 0.571 . . . . 0.0 112.265 179.304 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 40' ' ' TYR . . . . . . . . . . . . . 64.5 m-85 -106.23 -15.74 14.77 Favored 'General case' 0 C--O 1.232 0.136 0 C-N-CA 122.579 0.352 . . . . 0.0 111.594 178.52 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -176.24 162.24 30.97 Favored Glycine 0 C--N 1.335 0.512 0 N-CA-C 111.883 -0.487 . . . . 0.0 111.883 174.981 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 54.7 tttp -72.65 115.44 11.93 Favored 'General case' 0 N--CA 1.452 -0.342 0 N-CA-C 108.89 -0.781 . . . . 0.0 108.89 177.815 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 43' ' ' ILE . . . . . . . . . . . . . 77.1 mt -83.21 129.66 37.08 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.323 0 N-CA-C 109.681 -0.488 . . . . 0.0 109.681 -178.841 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 33.8 m -107.27 -8.38 10.7 Favored 'Isoleucine or valine' 0 C--O 1.227 -0.116 0 C-N-CA 123.178 0.591 . . . . 0.0 110.633 178.759 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . -168.94 146.33 10.2 Favored Glycine 0 CA--C 1.525 0.688 0 N-CA-C 109.965 -1.254 . . . . 0.0 109.965 177.79 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 46' ' ' CYS . . . . . . . . . . . . . 45.4 t -150.65 144.54 25.28 Favored 'General case' 0 N--CA 1.451 -0.378 0 N-CA-C 109.747 -0.464 . . . . 0.0 109.747 -179.228 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 23.1 t -153.26 148.26 26.63 Favored 'General case' 0 N--CA 1.449 -0.507 0 CA-C-O 120.875 0.369 . . . . 0.0 110.13 177.032 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 48' ' ' VAL . . . . . . . . . . . . . 92.3 t -125.74 146.68 31.08 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.222 0 N-CA-C 109.267 -0.642 . . . . 0.0 109.267 177.572 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 49' ' ' HIS . . . . . . . . . . . . . 54.4 m-70 -131.79 -164.2 1.42 Allowed 'General case' 0 N--CA 1.449 -0.489 0 C-N-CA 124.174 0.99 . . . . 0.0 108.348 -176.666 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 98.3 mttt -90.75 116.91 28.96 Favored 'General case' 0 N--CA 1.452 -0.336 0 N-CA-C 109.374 -0.602 . . . . 0.0 109.374 175.647 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 83.08 -9.79 59.7 Favored Glycine 0 CA--C 1.533 1.171 0 CA-C-O 118.903 -0.943 . . . . 0.0 113.51 178.214 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 50.4 p90 -152.62 170.23 20.74 Favored 'General case' 0 N--CA 1.461 0.082 0 CA-C-N 119.037 1.419 . . . . 0.0 111.601 179.078 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -148.96 172.23 15.05 Favored 'General case' 0 CA--C 1.53 0.202 0 C-N-CA 123.784 0.834 . . . . 0.0 110.542 176.509 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 54' ' ' PHE . . . . . . . . . . . . . 11.9 m-85 -140.41 143.97 35.93 Favored 'General case' 0 N--CA 1.454 -0.263 0 C-N-CA 123.726 0.81 . . . . 0.0 110.606 -179.947 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 93.0 t -134.58 137.83 50.6 Favored 'Isoleucine or valine' 0 CA--C 1.518 -0.274 0 C-N-CA 123.657 0.783 . . . . 0.0 109.25 178.972 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 56' ' ' GLN . . . . . . . . . . . . . 59.2 tp60 -116.92 130.86 56.98 Favored 'General case' 0 N--CA 1.451 -0.397 0 N-CA-C 109.401 -0.592 . . . . 0.0 109.401 -176.966 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 57' ' ' TYR . . . . . . . . . . . . . 38.9 m-85 -113.14 176.17 5.13 Favored 'General case' 0 N--CA 1.455 -0.219 0 C-N-CA 123.342 0.657 . . . . 0.0 110.845 179.703 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 58' ' ' VAL . . . . . . . . . . . . . 69.1 t -72.3 -30.73 36.33 Favored 'Isoleucine or valine' 0 N--CA 1.456 -0.169 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.367 178.964 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 59' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -156.83 170.19 23.04 Favored 'General case' 0 CA--C 1.53 0.179 0 CA-C-N 118.082 0.401 . . . . 0.0 112.047 178.068 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 74.2 tt0 -59.69 -30.8 69.04 Favored 'General case' 0 N--CA 1.454 -0.249 0 C-N-CA 123.332 0.653 . . . . 0.0 112.212 -177.982 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 19.4 tpp180 -59.94 -39.03 84.14 Favored 'General case' 0 CA--C 1.527 0.086 0 CA-C-N 118.978 0.808 . . . . 0.0 110.298 -179.698 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 62' ' ' ASN . . . . . . . . . . . . . 17.4 m120 -71.07 -25.53 62.66 Favored 'General case' 0 N--CA 1.451 -0.425 0 C-N-CA 120.809 -0.356 . . . . 0.0 110.814 -179.864 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -76.43 -35.52 58.48 Favored 'General case' 0 N--CA 1.452 -0.334 0 N-CA-C 110.343 -0.243 . . . . 0.0 110.343 178.532 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 64' ' ' ARG . . . . . . . . . . . . . 39.8 mmt180 -69.01 -26.73 65.15 Favored 'General case' 0 CA--C 1.526 0.047 0 N-CA-C 110.12 -0.326 . . . . 0.0 110.12 178.411 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -80.09 -33.45 38.79 Favored 'General case' 0 N--CA 1.452 -0.332 0 CA-C-N 117.54 0.154 . . . . 0.0 110.879 -179.484 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -81.31 -33.74 32.36 Favored 'General case' 0 N--CA 1.452 -0.332 0 O-C-N 122.048 -0.408 . . . . 0.0 111.121 179.87 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 67' ' ' VAL . . . . . . . . . . . . . 46.7 t -67.28 -33.42 62.69 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.238 0 N-CA-C 109.926 -0.398 . . . . 0.0 109.926 176.131 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -90.05 -10.37 45.05 Favored 'General case' 0 CA--C 1.531 0.222 0 N-CA-C 112.007 0.373 . . . . 0.0 112.007 177.773 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . -102.6 -13.51 29.97 Favored Glycine 0 CA--C 1.532 1.136 0 CA-C-O 119.191 -0.783 . . . . 0.0 113.752 -177.052 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 45.8 mm-40 -133.95 -20.03 1.98 Allowed 'General case' 0 N--CA 1.465 0.302 0 CA-C-N 118.646 1.223 . . . . 0.0 112.311 -173.73 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 21.8 t70 -61.59 118.22 6.78 Favored 'General case' 0 N--CA 1.456 -0.13 0 CA-C-N 119.131 0.878 . . . . 0.0 109.93 178.701 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . 87.28 10.65 70.75 Favored Glycine 0 CA--C 1.524 0.643 0 N-CA-C 111.205 -0.758 . . . . 0.0 111.205 179.433 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 73' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -76.48 169.72 17.72 Favored 'General case' 0 N--CA 1.449 -0.509 0 N-CA-C 106.383 -1.71 . . . . 0.0 106.383 171.475 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 74' ' ' MET . . . . . . . . . . . . . 33.7 ttm -115.29 121.74 43.8 Favored 'General case' 0 N--CA 1.448 -0.552 0 N-CA-C 109.078 -0.712 . . . . 0.0 109.078 -177.095 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 75' ' ' ILE . . . . . . . . . . . . . 0.2 OUTLIER -129.01 135.7 61.47 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.318 0 N-CA-C 109.562 -0.532 . . . . 0.0 109.562 179.286 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . 54.46 18.19 1.86 Allowed 'General case' 0 CA--C 1.533 0.316 0 C-N-CA 123.245 0.618 . . . . 0.0 112.298 -174.01 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 89.3 3.56 75.33 Favored Glycine 0 CA--C 1.527 0.82 0 N-CA-C 112.099 -0.4 . . . . 0.0 112.099 -179.256 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 78' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -123.73 132.22 53.77 Favored 'General case' 0 N--CA 1.45 -0.442 0 CA-C-N 117.687 0.744 . . . . 0.0 110.307 -179.105 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 79' ' ' VAL . . . . . . . . . . . . . 50.1 t -64.36 140.93 18.89 Favored 'Isoleucine or valine' 0 CA--C 1.522 -0.127 0 C-N-CA 124.4 1.08 . . . . 0.0 110.507 -178.87 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 29.3 mt -96.12 155.98 16.53 Favored 'General case' 0 N--CA 1.456 -0.153 0 CA-C-O 120.864 0.364 . . . . 0.0 111.4 177.224 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 81' ' ' ASP . . . . . . . . . . . . . 7.3 m-20 -123.07 103.14 8.39 Favored 'General case' 0 N--CA 1.453 -0.293 0 N-CA-C 107.727 -1.212 . . . . 0.0 107.727 174.684 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 82' ' ' ILE . . . . . . . . . . . . . 65.5 mt -118.59 139.13 46.98 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.355 0 C-N-CA 123.143 0.577 . . . . 0.0 110.433 -169.847 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 83' ' ' ASN . . . . . . . . . . . . . 1.1 p-10 -161.04 172.0 17.62 Favored 'General case' 0 CA--C 1.529 0.163 0 C-N-CA 123.373 0.669 . . . . 0.0 110.174 -178.564 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 84' ' ' LEU . . . . . . . . . . . . . 3.2 mm? -64.54 150.32 47.0 Favored 'General case' 0 N--CA 1.455 -0.176 0 N-CA-C 109.271 -0.64 . . . . 0.0 109.271 176.37 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . -69.98 3.76 2.49 Favored 'General case' 0 CA--C 1.534 0.342 0 N-CA-C 112.002 0.371 . . . . 0.0 112.002 177.33 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . -136.89 -2.82 2.07 Favored 'General case' 0 N--CA 1.454 -0.238 0 C-N-CA 123.054 0.542 . . . . 0.0 112.357 -179.283 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 94.3 mt-10 -139.66 70.11 37.73 Favored Pre-proline 0 N--CA 1.454 -0.229 0 N-CA-C 109.217 -0.661 . . . . 0.0 109.217 178.398 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 88' ' ' PRO . . . . . . . . . . . . . 39.9 Cg_endo -61.96 144.94 96.97 Favored 'Trans proline' 0 N--CA 1.452 -0.937 0 C-N-CA 123.092 2.528 . . . . 0.0 109.103 178.971 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 89' ' ' LYS . . . . . 0.524 ' HG3' ' H ' ' A' ' 90' ' ' VAL . 14.5 ptpt -52.73 -63.85 1.01 Allowed 'General case' 0 C--N 1.34 0.155 0 N-CA-C 112.681 0.623 . . . . 0.0 112.681 -169.873 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 90' ' ' VAL . . . . . 0.524 ' H ' ' HG3' ' A' ' 89' ' ' LYS . 66.5 t -147.25 -38.66 0.11 Allowed 'Isoleucine or valine' 0 C--O 1.232 0.141 0 N-CA-C 110.273 -0.269 . . . . 0.0 110.273 177.165 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 91' ' ' ASN . . . . . . . . . . . . . 64.2 m-80 -135.97 167.91 20.34 Favored 'General case' 0 N--CA 1.45 -0.467 0 CA-C-O 120.897 0.38 . . . . 0.0 111.198 -175.889 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 92' ' ' ARG . . . . . . . . . . . . . 67.0 ttp85 -131.04 85.66 2.29 Favored 'General case' 0 N--CA 1.455 -0.187 0 N-CA-C 106.555 -1.646 . . . . 0.0 106.555 171.424 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . -105.44 -131.76 7.1 Favored Glycine 0 C--N 1.333 0.404 0 N-CA-C 112.225 -0.35 . . . . 0.0 112.225 -174.164 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 60.2 tttp -132.32 -25.88 1.93 Allowed 'General case' 0 N--CA 1.455 -0.218 0 C-N-CA 123.044 0.538 . . . . 0.0 111.651 179.845 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . -150.65 142.0 23.33 Favored 'General case' 0 N--CA 1.453 -0.283 0 C-N-CA 122.384 0.273 . . . . 0.0 110.529 -179.65 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . -86.55 -2.4 84.89 Favored Glycine 0 CA--C 1.525 0.672 0 N-CA-C 112.088 -0.405 . . . . 0.0 112.088 178.192 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 97' ' ' VAL . . . . . 0.445 HG12 ' H ' ' A' ' 99' ' ' ARG . 30.9 t -123.52 138.63 52.7 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.232 0 N-CA-C 109.247 -0.649 . . . . 0.0 109.247 179.218 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 98' ' ' LYS . . . . . . . . . . . . . 35.3 mmtp -118.56 28.44 8.32 Favored 'General case' 0 C--O 1.232 0.162 0 C-N-CA 123.932 0.893 . . . . 0.0 111.172 -177.577 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 99' ' ' ARG . . . . . 0.445 ' H ' HG12 ' A' ' 97' ' ' VAL . 14.9 tpt180 -136.42 174.13 10.96 Favored 'General case' 0 CA--C 1.529 0.141 0 C-N-CA 123.875 0.87 . . . . 0.0 109.873 -177.374 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 100' ' ' SER . . . . . 0.422 ' H ' ' HG3' ' A' ' 99' ' ' ARG . 75.0 m -60.4 -18.14 48.66 Favored 'General case' 0 N--CA 1.457 -0.124 0 C-N-CA 123.478 0.711 . . . . 0.0 112.172 179.146 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 101' ' ' ALA . . . . . . . . . . . . . . . 52.63 16.51 0.66 Allowed 'General case' 0 CA--C 1.533 0.301 0 C-N-CA 123.94 0.896 . . . . 0.0 112.728 -177.069 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -148.01 5.85 0.77 Allowed 'General case' 0 N--CA 1.454 -0.261 0 C-N-CA 123.03 0.532 . . . . 0.0 111.496 -178.162 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 16.9 pt-20 -73.11 -7.67 52.35 Favored 'General case' 0 CA--C 1.533 0.306 0 O-C-N 122.034 -0.417 . . . . 0.0 111.917 -177.833 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 104' ' ' MET . . . . . . . . . . . . . 71.3 mtm -99.29 5.39 46.57 Favored 'General case' 0 N--CA 1.456 -0.157 0 C-N-CA 123.629 0.771 . . . . 0.0 111.487 -179.874 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 105' ' ' TYR . . . . . . . . . . . . . 49.3 m-85 -132.33 5.43 4.09 Favored 'General case' 0 CA--C 1.531 0.232 0 C-N-CA 122.936 0.494 . . . . 0.0 111.489 -177.748 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 106' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--N 1.337 0.628 0 N-CA-C 110.734 -0.946 . . . . 0.0 110.734 -179.83 . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' B' B ' 1' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.422 -2.566 2 O4'-C1'-N19 112.836 4.636 . 0.0 '__' . 0.0 . . . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 2' ' ' ' U' . . . . . 0.439 H5'' ' CZ ' ' A' ' 19' ' ' PHE . . . . . . . . 0 O4'--C4' 1.421 -2.671 1 O4'-C1'-N19 112.672 4.472 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' B' B ' 3' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.421 -2.655 0 C5'-C4'-C3' 111.982 -2.345 . 0.404 0b . 0.0 . . . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' B' B ' 4' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.42 -2.725 1 O4'-C1'-N19 112.295 4.095 . 0.181 4b . 0.0 . . . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 5' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.423 -2.503 1 O4'-C1'-N19 113.237 5.037 . 0.516 2u . 0.0 . . . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.475 0.789 0 N-CA-C 110.784 -0.08 . . . . 0.0 110.784 . . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 36.1 t -68.96 159.12 33.32 Favored 'General case' 0 N--CA 1.456 -0.132 0 C-N-CA 122.74 0.416 . . . . 0.0 110.704 179.095 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 4' ' ' ASN . . . . . . . . . . . . . 95.3 m-20 -83.87 -4.28 58.56 Favored 'General case' 0 N--CA 1.457 -0.104 0 C-N-CA 122.251 0.22 . . . . 0.0 111.116 178.526 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 94.3 t -91.97 133.76 32.39 Favored 'Isoleucine or valine' 0 N--CA 1.456 -0.161 0 CA-C-O 120.787 0.327 . . . . 0.0 111.649 -175.143 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 72.9 p -149.72 5.55 0.6 Allowed 'General case' 0 C--O 1.225 -0.226 0 C-N-CA 124.124 0.969 . . . . 0.0 111.94 -178.355 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 7' ' ' ASN . . . . . . . . . . . . . 40.3 p30 -104.39 20.07 19.12 Favored 'General case' 0 C--N 1.341 0.198 0 N-CA-C 114.333 1.234 . . . . 0.0 114.333 -172.79 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 52.7 mtmt -64.25 140.2 58.84 Favored 'General case' 0 N--CA 1.457 -0.105 0 N-CA-C 109.677 -0.49 . . . . 0.0 109.677 177.171 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 66.9 p -111.2 14.06 21.76 Favored 'General case' 0 C--N 1.332 -0.161 0 N-CA-C 112.522 0.564 . . . . 0.0 112.522 -174.925 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 12.6 m-20 -63.92 151.04 90.38 Favored Pre-proline 0 CA--C 1.533 0.306 0 O-C-N 122.108 -0.37 . . . . 0.0 110.184 179.024 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 11' ' ' PRO . . . . . . . . . . . . . 66.2 Cg_endo -67.1 1.82 2.62 Favored 'Trans proline' 0 N--CA 1.456 -0.71 0 C-N-CA 124.224 3.283 . . . . 0.0 113.076 -174.537 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -127.71 -28.14 2.76 Favored 'General case' 0 C--N 1.339 0.138 0 CA-C-N 118.017 0.371 . . . . 0.0 110.425 176.898 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 72.9 m -79.21 -25.74 42.65 Favored 'General case' 0 N--CA 1.455 -0.185 0 CA-C-O 119.434 -0.317 . . . . 0.0 111.196 -179.696 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 14' ' ' MET . . . . . . . . . . . . . 12.7 ptm -88.28 -2.73 58.77 Favored 'General case' 0 N--CA 1.454 -0.227 0 C-N-CA 119.733 -0.787 . . . . 0.0 111.595 177.341 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 69.2 m-80 -103.36 -22.79 13.63 Favored 'General case' 0 N--CA 1.455 -0.181 0 C-N-CA 122.514 0.326 . . . . 0.0 110.547 175.208 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 81.5 p -86.35 6.24 30.95 Favored 'General case' 0 CA--C 1.531 0.245 0 C-N-CA 122.955 0.502 . . . . 0.0 110.974 171.483 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 28.9 ttp-105 -101.34 154.01 19.16 Favored 'General case' 0 N--CA 1.455 -0.215 0 C-N-CA 123.691 0.796 . . . . 0.0 109.965 177.604 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 97.5 t -128.93 131.88 67.87 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.273 0 C-N-CA 123.128 0.571 . . . . 0.0 110.081 177.323 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 23.1 t80 -89.62 135.21 33.74 Favored 'General case' 0 N--CA 1.45 -0.429 0 C-N-CA 123.668 0.787 . . . . 0.0 109.433 175.183 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 64.0 mt -122.55 85.5 0.95 Allowed 'Isoleucine or valine' 0 N--CA 1.456 -0.172 0 N-CA-C 108.101 -1.074 . . . . 0.0 108.101 179.559 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -85.18 174.14 48.96 Favored Glycine 0 CA--C 1.522 0.523 0 N-CA-C 110.821 -0.911 . . . . 0.0 110.821 178.656 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 56.0 t30 48.92 48.09 20.89 Favored 'General case' 0 CA--C 1.532 0.251 0 C-N-CA 123.114 0.566 . . . . 0.0 110.969 -178.835 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 51.6 tp -97.38 143.61 27.95 Favored 'General case' 0 N--CA 1.454 -0.237 0 C-N-CA 123.016 0.527 . . . . 0.0 109.89 179.594 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 24' ' ' ASN . . . . . 0.403 ' C ' ' H ' ' A' ' 26' ' ' LEU . 64.2 t30 -69.85 -38.81 76.58 Favored 'General case' 0 CA--C 1.529 0.172 0 C-N-CA 121.079 -0.249 . . . . 0.0 111.454 -178.179 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 30.1 p 56.7 -4.93 0.03 OUTLIER 'General case' 0 N--CA 1.468 0.465 0 C-N-CA 126.978 2.111 . . . . 0.0 115.234 179.441 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 26' ' ' LEU . . . . . 0.403 ' H ' ' C ' ' A' ' 24' ' ' ASN . 3.8 mm? -88.92 -16.22 32.41 Favored 'General case' 0 CA--C 1.528 0.128 0 CA-C-N 118.395 0.543 . . . . 0.0 111.37 177.979 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 48.4 t -127.17 -18.32 2.57 Favored 'Isoleucine or valine' 0 CA--C 1.528 0.099 0 C-N-CA 122.917 0.487 . . . . 0.0 110.875 179.763 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 58.2 t -110.21 139.78 32.12 Favored 'Isoleucine or valine' 0 C--N 1.339 0.119 0 O-C-N 122.182 -0.324 . . . . 0.0 110.335 178.059 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 2.9 mptp? -133.34 171.87 13.47 Favored 'General case' 0 CA--C 1.521 -0.159 0 C-N-CA 124.589 1.156 . . . . 0.0 109.688 -179.541 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 7.3 ptmm? -62.72 -10.12 11.59 Favored 'General case' 0 CA--C 1.53 0.206 0 C-N-CA 124.17 0.988 . . . . 0.0 112.517 -179.0 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 53.5 p -93.07 -15.11 26.48 Favored 'General case' 0 N--CA 1.457 -0.104 0 C-N-CA 123.431 0.692 . . . . 0.0 110.705 177.175 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 44.0 m-20 -98.12 -36.0 10.22 Favored 'General case' 0 N--CA 1.451 -0.401 0 C-N-CA 124.355 1.062 . . . . 0.0 110.316 178.079 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 71.2 t -62.39 -33.15 57.69 Favored 'Isoleucine or valine' 0 N--CA 1.456 -0.145 0 N-CA-C 109.609 -0.515 . . . . 0.0 109.609 179.05 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 24.6 pt-20 -80.45 8.31 7.95 Favored 'General case' 0 C--O 1.232 0.182 0 N-CA-C 111.916 0.339 . . . . 0.0 111.916 179.26 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -126.63 -7.67 6.24 Favored 'General case' 0 CA--C 1.53 0.206 0 C-N-CA 123.145 0.578 . . . . 0.0 111.053 176.613 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 76.3 mt -109.43 -27.36 2.93 Favored 'Isoleucine or valine' 0 C--N 1.339 0.109 0 C-N-CA 123.125 0.57 . . . . 0.0 110.287 179.174 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 37' ' ' PHE . . . . . . . . . . . . . 69.0 m-85 -103.65 -8.0 20.28 Favored 'General case' 0 N--CA 1.454 -0.26 0 C-N-CA 122.625 0.37 . . . . 0.0 110.869 179.881 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 25.2 t -74.34 -13.17 60.71 Favored 'General case' 0 CA--C 1.53 0.186 0 CA-C-O 120.701 0.286 . . . . 0.0 111.125 -178.901 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 13.3 ptmm? -81.52 -11.13 59.29 Favored 'General case' 0 C--N 1.339 0.111 0 C-N-CA 122.916 0.486 . . . . 0.0 112.013 179.345 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 40' ' ' TYR . . . . . . . . . . . . . 68.5 m-85 -107.13 -15.33 14.7 Favored 'General case' 0 C--N 1.339 0.142 0 CA-C-N 117.861 0.3 . . . . 0.0 111.421 178.804 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -176.82 160.91 28.47 Favored Glycine 0 C--N 1.333 0.384 0 N-CA-C 112.033 -0.427 . . . . 0.0 112.033 174.865 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 77.3 tttt -71.57 115.76 11.13 Favored 'General case' 0 N--CA 1.453 -0.309 0 N-CA-C 108.977 -0.749 . . . . 0.0 108.977 177.977 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 43' ' ' ILE . . . . . . . . . . . . . 77.6 mt -83.58 129.32 37.72 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.201 0 N-CA-C 109.756 -0.461 . . . . 0.0 109.756 -178.954 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 34.1 m -109.6 -8.11 11.35 Favored 'Isoleucine or valine' 0 C--O 1.231 0.114 0 C-N-CA 123.051 0.541 . . . . 0.0 110.757 178.865 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . -167.21 147.93 12.48 Favored Glycine 0 CA--C 1.522 0.501 0 N-CA-C 109.878 -1.289 . . . . 0.0 109.878 177.895 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 46' ' ' CYS . . . . . . . . . . . . . 21.6 p -150.53 150.92 31.88 Favored 'General case' 0 N--CA 1.452 -0.349 0 O-C-N 122.332 -0.51 . . . . 0.0 110.056 179.876 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 91.7 p -156.47 143.65 18.95 Favored 'General case' 0 N--CA 1.451 -0.393 0 N-CA-C 109.942 -0.392 . . . . 0.0 109.942 175.929 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 48' ' ' VAL . . . . . . . . . . . . . 87.3 t -120.61 146.1 26.01 Favored 'Isoleucine or valine' 0 C--O 1.232 0.14 0 N-CA-C 109.104 -0.702 . . . . 0.0 109.104 174.144 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 49' ' ' HIS . . . . . . . . . . . . . 43.5 m-70 -135.17 -168.98 2.28 Favored 'General case' 0 N--CA 1.451 -0.425 0 C-N-CA 124.417 1.087 . . . . 0.0 108.236 -176.093 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 38.5 mtmm -84.72 117.05 23.57 Favored 'General case' 0 N--CA 1.452 -0.374 0 O-C-N 121.787 -0.571 . . . . 0.0 109.966 177.605 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 79.82 -8.84 47.85 Favored Glycine 0 CA--C 1.531 1.093 0 CA-C-O 119.186 -0.786 . . . . 0.0 113.848 177.849 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 53.6 p90 -150.38 168.56 23.76 Favored 'General case' 0 CA--C 1.529 0.143 0 CA-C-N 118.86 1.33 . . . . 0.0 111.442 178.664 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -147.63 171.77 15.09 Favored 'General case' 0 N--CA 1.456 -0.172 0 C-N-CA 124.311 1.044 . . . . 0.0 110.312 176.123 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 54' ' ' PHE . . . . . . . . . . . . . 15.3 m-85 -140.14 146.62 39.04 Favored 'General case' 0 N--CA 1.454 -0.24 0 C-N-CA 123.585 0.754 . . . . 0.0 110.53 179.268 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 99.0 t -135.19 137.88 49.57 Favored 'Isoleucine or valine' 0 CA--C 1.517 -0.29 0 C-N-CA 123.63 0.772 . . . . 0.0 109.164 178.301 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 56' ' ' GLN . . . . . . . . . . . . . 60.4 tp60 -118.04 129.8 55.78 Favored 'General case' 0 N--CA 1.445 -0.678 0 N-CA-C 109.315 -0.624 . . . . 0.0 109.315 -176.31 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 57' ' ' TYR . . . . . 0.448 ' HH ' ' CB ' ' A' ' 66' ' ' ALA . 44.3 m-85 -112.33 176.83 4.85 Favored 'General case' 0 N--CA 1.455 -0.214 0 C-N-CA 123.516 0.726 . . . . 0.0 110.971 -179.281 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 58' ' ' VAL . . . . . . . . . . . . . 73.6 t -72.67 -30.71 34.46 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.193 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.329 178.787 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 59' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -156.35 170.7 21.68 Favored 'General case' 0 CA--C 1.529 0.169 0 N-CA-C 112.23 0.456 . . . . 0.0 112.23 178.178 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 78.1 tt0 -60.72 -30.63 70.09 Favored 'General case' 0 N--CA 1.457 -0.092 0 C-N-CA 123.588 0.755 . . . . 0.0 112.181 -177.719 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 24.8 tpt180 -58.33 -39.54 79.71 Favored 'General case' 0 C--N 1.339 0.115 0 CA-C-N 119.039 0.836 . . . . 0.0 109.862 179.401 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 62' ' ' ASN . . . . . . . . . . . . . 20.2 m120 -71.27 -25.06 62.3 Favored 'General case' 0 N--CA 1.45 -0.432 0 C-N-CA 120.711 -0.396 . . . . 0.0 111.122 -179.598 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -74.88 -38.37 61.93 Favored 'General case' 0 N--CA 1.453 -0.277 0 N-CA-C 110.473 -0.195 . . . . 0.0 110.473 177.923 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 64' ' ' ARG . . . . . . . . . . . . . 37.7 mmt180 -68.78 -26.57 65.28 Favored 'General case' 0 N--CA 1.457 -0.084 0 O-C-N 122.381 -0.199 . . . . 0.0 110.538 179.342 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -79.32 -32.79 43.51 Favored 'General case' 0 N--CA 1.452 -0.362 0 C-N-CA 122.005 0.122 . . . . 0.0 110.913 -178.943 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 66' ' ' ALA . . . . . 0.448 ' CB ' ' HH ' ' A' ' 57' ' ' TYR . . . -83.53 -34.06 25.34 Favored 'General case' 0 N--CA 1.453 -0.277 0 O-C-N 122.267 -0.271 . . . . 0.0 111.437 179.231 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 67' ' ' VAL . . . . . . . . . . . . . 49.7 t -65.71 -32.48 58.38 Favored 'Isoleucine or valine' 0 N--CA 1.456 -0.129 0 N-CA-C 109.962 -0.385 . . . . 0.0 109.962 175.302 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -93.49 -10.27 35.52 Favored 'General case' 0 CA--C 1.529 0.166 0 N-CA-C 112.049 0.389 . . . . 0.0 112.049 178.282 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . -101.78 -14.22 30.01 Favored Glycine 0 CA--C 1.528 0.898 0 CA-C-O 119.396 -0.669 . . . . 0.0 113.894 -177.687 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 42.2 mm-40 -132.58 -19.3 2.4 Favored 'General case' 0 N--CA 1.465 0.3 0 CA-C-N 118.548 1.174 . . . . 0.0 112.375 -174.093 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 20.9 t70 -61.59 118.3 6.88 Favored 'General case' 0 N--CA 1.454 -0.236 0 O-C-N 121.288 -0.883 . . . . 0.0 109.986 178.243 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . 87.28 10.35 71.31 Favored Glycine 0 C--N 1.336 0.567 0 N-CA-C 111.017 -0.833 . . . . 0.0 111.017 179.132 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 73' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -75.6 169.69 17.61 Favored 'General case' 0 N--CA 1.451 -0.411 0 N-CA-C 106.419 -1.697 . . . . 0.0 106.419 171.563 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 74' ' ' MET . . . . . . . . . . . . . 33.4 ttm -115.63 121.32 42.22 Favored 'General case' 0 N--CA 1.449 -0.511 0 N-CA-C 109.23 -0.656 . . . . 0.0 109.23 -177.197 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 75' ' ' ILE . . . . . . . . . . . . . 0.2 OUTLIER -128.39 135.65 62.04 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.352 0 CA-C-N 115.976 -0.556 . . . . 0.0 109.542 179.664 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . 54.81 17.9 1.95 Allowed 'General case' 0 CA--C 1.535 0.366 0 C-N-CA 123.198 0.599 . . . . 0.0 112.22 -174.413 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 89.08 5.02 73.87 Favored Glycine 0 CA--C 1.528 0.879 0 CA-C-O 119.623 -0.543 . . . . 0.0 111.998 -179.186 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 78' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -125.16 131.67 53.19 Favored 'General case' 0 N--CA 1.453 -0.312 0 CA-C-N 117.8 0.8 . . . . 0.0 110.251 -179.425 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 79' ' ' VAL . . . . . . . . . . . . . 50.1 t -62.94 141.74 17.68 Favored 'Isoleucine or valine' 0 N--CA 1.462 0.145 0 C-N-CA 124.402 1.081 . . . . 0.0 110.24 -178.865 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 32.3 mt -96.85 155.63 16.69 Favored 'General case' 0 C--O 1.231 0.113 0 CA-C-O 120.886 0.374 . . . . 0.0 111.059 176.612 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 81' ' ' ASP . . . . . . . . . . . . . 4.2 m-20 -123.3 99.27 6.25 Favored 'General case' 0 N--CA 1.452 -0.355 0 N-CA-C 107.741 -1.207 . . . . 0.0 107.741 176.561 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 82' ' ' ILE . . . . . . . . . . . . . 63.9 mt -113.39 141.66 28.47 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.272 0 C-N-CA 123.348 0.659 . . . . 0.0 109.967 -170.247 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 83' ' ' ASN . . . . . . . . . . . . . 52.7 t30 -154.58 157.28 38.01 Favored 'General case' 0 N--CA 1.456 -0.153 0 C-N-CA 122.664 0.386 . . . . 0.0 111.235 -175.237 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 84' ' ' LEU . . . . . . . . . . . . . 1.2 tm? -60.78 127.77 33.28 Favored 'General case' 0 N--CA 1.452 -0.34 0 N-CA-C 108.316 -0.994 . . . . 0.0 108.316 172.516 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . -63.97 0.24 0.94 Allowed 'General case' 0 CA--C 1.531 0.234 0 N-CA-C 114.76 1.393 . . . . 0.0 114.76 -172.823 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . -127.75 10.82 6.62 Favored 'General case' 0 N--CA 1.455 -0.212 0 CA-C-N 118.769 0.713 . . . . 0.0 112.132 -177.856 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 96.8 mt-10 -138.58 58.95 15.29 Favored Pre-proline 0 C--O 1.233 0.201 0 C-N-CA 122.599 0.359 . . . . 0.0 111.431 -177.479 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 88' ' ' PRO . . . . . . . . . . . . . 42.8 Cg_endo -62.01 142.85 94.11 Favored 'Trans proline' 0 N--CA 1.45 -1.033 0 C-N-CA 122.015 1.81 . . . . 0.0 108.73 177.524 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 89' ' ' LYS . . . . . 0.551 ' HG3' ' H ' ' A' ' 90' ' ' VAL . 5.6 ptpp? -141.3 -85.24 0.19 Allowed 'General case' 0 N--CA 1.454 -0.262 0 N-CA-C 111.924 0.342 . . . . 0.0 111.924 -171.574 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 90' ' ' VAL . . . . . 0.551 ' H ' ' HG3' ' A' ' 89' ' ' LYS . 7.9 m -137.62 -17.06 0.55 Allowed 'Isoleucine or valine' 0 N--CA 1.455 -0.183 0 C-N-CA 124.131 0.973 . . . . 0.0 112.039 -177.409 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 91' ' ' ASN . . . . . . . . . . . . . 39.9 m-80 -82.24 24.83 0.64 Allowed 'General case' 0 N--CA 1.453 -0.278 0 C-N-CA 123.688 0.795 . . . . 0.0 111.496 -179.879 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 92' ' ' ARG . . . . . . . . . . . . . 47.4 ttt180 -128.54 128.49 44.39 Favored 'General case' 0 N--CA 1.453 -0.325 0 N-CA-C 108.789 -0.819 . . . . 0.0 108.789 174.156 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . -167.55 -141.5 3.19 Favored Glycine 0 CA--C 1.525 0.67 0 N-CA-C 108.378 -1.889 . . . . 0.0 108.378 -179.505 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 95.1 mttt -133.1 -3.39 3.13 Favored 'General case' 0 C--O 1.233 0.2 0 CA-C-N 117.359 0.58 . . . . 0.0 111.766 177.392 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . -155.96 168.37 27.46 Favored 'General case' 0 N--CA 1.453 -0.291 0 C-N-CA 122.539 0.335 . . . . 0.0 110.576 -177.578 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . -74.59 -2.87 65.12 Favored Glycine 0 CA--C 1.529 0.963 0 CA-C-O 119.834 -0.426 . . . . 0.0 112.23 178.844 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 97' ' ' VAL . . . . . 0.406 HG23 ' H ' ' A' ' 99' ' ' ARG . 10.6 p -109.43 139.55 31.93 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.234 0 CA-C-N 117.476 0.638 . . . . 0.0 109.65 177.893 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 98' ' ' LYS . . . . . . . . . . . . . 34.9 mmtp -121.62 15.93 11.13 Favored 'General case' 0 CA--C 1.529 0.153 0 C-N-CA 123.558 0.743 . . . . 0.0 111.553 -177.256 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 99' ' ' ARG . . . . . 0.406 ' H ' HG23 ' A' ' 97' ' ' VAL . 53.0 ttt180 -103.97 171.78 7.16 Favored 'General case' 0 N--CA 1.456 -0.172 0 C-N-CA 124.235 1.014 . . . . 0.0 109.593 -179.273 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 58.2 m -63.53 -15.9 59.25 Favored 'General case' 0 CA--C 1.528 0.121 0 C-N-CA 122.446 0.298 . . . . 0.0 111.606 176.858 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 101' ' ' ALA . . . . . . . . . . . . . . . 52.41 14.1 0.35 Allowed 'General case' 0 CA--C 1.532 0.287 0 C-N-CA 124.215 1.006 . . . . 0.0 112.909 -176.968 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -149.45 2.18 0.54 Allowed 'General case' 0 CA--C 1.532 0.287 0 C-N-CA 123.208 0.603 . . . . 0.0 112.207 -178.128 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 11.7 pt-20 -80.12 -4.01 51.16 Favored 'General case' 0 CA--C 1.529 0.157 0 O-C-N 121.986 -0.446 . . . . 0.0 112.09 -178.066 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 104' ' ' MET . . . . . . . . . . . . . 73.4 mtm -105.98 10.01 32.42 Favored 'General case' 0 CA--C 1.532 0.251 0 C-N-CA 123.776 0.831 . . . . 0.0 111.351 -179.634 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 105' ' ' TYR . . . . . . . . . . . . . 61.8 m-85 -130.77 2.82 4.46 Favored 'General case' 0 CA--C 1.529 0.146 0 C-N-CA 122.943 0.497 . . . . 0.0 111.617 -178.639 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 106' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--N 1.337 0.635 0 N-CA-C 110.516 -1.033 . . . . 0.0 110.516 179.979 . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' B' B ' 1' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.42 -2.745 1 C5'-C4'-C3' 109.112 -4.259 . 0.0 '__' . 0.0 . . . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 2' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.419 -2.875 1 O4'-C1'-N19 112.868 4.668 . 0.0 OUTLIER '7D dist 4b' 0.0 . . . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 3' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.418 -2.924 0 O4'-C1'-N19 110.767 2.567 . 0.103 0b . 0.0 . . . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' B' B ' 4' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.422 -2.589 1 O4'-C1'-N19 112.461 4.261 . 0.23 4b . 0.0 . . . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 5' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.416 -3.081 1 O4'-C1'-N19 112.577 4.377 . 0.283 2a . 0.0 . . . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.476 0.856 0 CA-C-O 120.643 0.259 . . . . 0.0 110.87 . . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 35.0 t -66.51 158.82 28.67 Favored 'General case' 0 CA--C 1.527 0.09 0 C-N-CA 122.746 0.418 . . . . 0.0 110.974 179.755 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 4' ' ' ASN . . . . . . . . . . . . . 3.4 p-10 -89.06 -0.53 57.51 Favored 'General case' 0 N--CA 1.454 -0.238 0 C-N-CA 122.953 0.501 . . . . 0.0 111.225 177.987 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 91.8 t -94.26 133.2 36.06 Favored 'Isoleucine or valine' 0 N--CA 1.456 -0.151 0 C-N-CA 122.691 0.397 . . . . 0.0 110.921 -177.005 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 65.7 p -146.98 9.78 1.0 Allowed 'General case' 0 CA--C 1.529 0.154 0 C-N-CA 123.485 0.714 . . . . 0.0 111.701 -179.85 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 7' ' ' ASN . . . . . . . . . . . . . 62.8 t-20 -122.04 107.66 12.47 Favored 'General case' 0 C--O 1.231 0.128 0 CA-C-N 118.931 0.787 . . . . 0.0 111.484 -177.727 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 53.0 mtmt -149.96 164.52 35.25 Favored 'General case' 0 CA--C 1.528 0.111 0 C-N-CA 125.849 1.66 . . . . 0.0 107.98 173.903 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 78.9 p -124.27 21.29 8.79 Favored 'General case' 0 N--CA 1.462 0.138 0 N-CA-C 112.378 0.51 . . . . 0.0 112.378 -177.231 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 23.1 m-20 -65.13 149.75 96.43 Favored Pre-proline 0 C--O 1.232 0.168 0 N-CA-C 110.217 -0.29 . . . . 0.0 110.217 177.908 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 11' ' ' PRO . . . . . . . . . . . . . 74.4 Cg_endo -67.49 1.77 2.86 Favored 'Trans proline' 0 N--CA 1.457 -0.642 0 C-N-CA 124.076 3.184 . . . . 0.0 113.252 -173.756 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -133.58 -31.84 1.18 Allowed 'General case' 0 N--CA 1.457 -0.1 0 CA-C-N 118.315 0.507 . . . . 0.0 110.731 177.343 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 18.3 m -75.23 -22.2 58.06 Favored 'General case' 0 N--CA 1.456 -0.167 0 O-C-N 122.205 -0.31 . . . . 0.0 111.776 -177.641 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 14' ' ' MET . . . . . . . . . . . . . 15.8 ptm -91.05 -0.92 57.84 Favored 'General case' 0 CA--C 1.533 0.303 0 CA-C-N 118.593 0.633 . . . . 0.0 111.759 176.107 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 38.9 m-80 -106.17 -18.04 14.13 Favored 'General case' 0 CA--C 1.531 0.241 0 C-N-CA 122.817 0.447 . . . . 0.0 110.652 177.299 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 77.8 p -90.21 12.6 17.57 Favored 'General case' 0 N--CA 1.454 -0.236 0 C-N-CA 123.703 0.801 . . . . 0.0 110.948 170.736 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 36.6 ttm180 -106.04 154.19 20.97 Favored 'General case' 0 C--O 1.232 0.169 0 C-N-CA 124.459 1.104 . . . . 0.0 110.271 -179.108 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 87.5 t -130.06 132.43 65.4 Favored 'Isoleucine or valine' 0 N--CA 1.456 -0.155 0 CA-C-O 120.752 0.31 . . . . 0.0 110.295 177.42 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 25.6 t80 -93.16 132.53 37.22 Favored 'General case' 0 N--CA 1.452 -0.372 0 C-N-CA 123.97 0.908 . . . . 0.0 109.011 175.622 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 63.1 mt -120.69 85.59 0.93 Allowed 'Isoleucine or valine' 0 N--CA 1.454 -0.229 0 N-CA-C 108.039 -1.097 . . . . 0.0 108.039 -179.374 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -84.34 174.53 50.66 Favored Glycine 0 CA--C 1.523 0.59 0 N-CA-C 110.75 -0.94 . . . . 0.0 110.75 178.423 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 62.3 t30 48.62 47.79 20.34 Favored 'General case' 0 CA--C 1.53 0.187 0 C-N-CA 123.143 0.577 . . . . 0.0 111.207 -179.002 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 52.7 tp -99.72 145.05 28.09 Favored 'General case' 0 N--CA 1.453 -0.296 0 N-CA-C 109.269 -0.641 . . . . 0.0 109.269 179.499 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 24' ' ' ASN . . . . . 0.406 ' C ' ' H ' ' A' ' 26' ' ' LEU . 64.8 t30 -68.71 -39.73 80.33 Favored 'General case' 0 N--CA 1.456 -0.16 0 O-C-N 122.326 -0.234 . . . . 0.0 111.019 -178.232 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 27.7 p 55.18 -0.83 0.03 OUTLIER 'General case' 0 N--CA 1.465 0.298 0 C-N-CA 126.904 2.081 . . . . 0.0 115.503 178.521 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 26' ' ' LEU . . . . . 0.406 ' H ' ' C ' ' A' ' 24' ' ' ASN . 79.2 mt -89.45 -20.69 23.6 Favored 'General case' 0 N--CA 1.453 -0.314 0 C-N-CA 123.558 0.743 . . . . 0.0 111.748 175.634 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 60.9 t -120.87 -26.67 2.17 Favored 'Isoleucine or valine' 0 N--CA 1.462 0.127 0 C-N-CA 122.776 0.43 . . . . 0.0 111.374 -178.516 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 51.4 t -101.46 146.44 9.79 Favored 'Isoleucine or valine' 0 CA--C 1.527 0.087 0 CA-C-N 117.989 0.359 . . . . 0.0 110.092 179.602 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 8.1 mptt -134.98 171.46 14.39 Favored 'General case' 0 C--O 1.227 -0.098 0 C-N-CA 123.432 0.693 . . . . 0.0 110.294 -178.332 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 5.8 ptmm? -65.35 -6.75 10.85 Favored 'General case' 0 CA--C 1.529 0.147 0 C-N-CA 123.902 0.881 . . . . 0.0 112.01 178.818 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 40.9 m -98.72 -0.15 43.37 Favored 'General case' 0 CA--C 1.529 0.163 0 C-N-CA 123.509 0.723 . . . . 0.0 110.704 175.255 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 21.7 m-20 -115.84 -34.27 4.85 Favored 'General case' 0 N--CA 1.453 -0.312 0 C-N-CA 124.026 0.93 . . . . 0.0 110.343 179.939 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 84.7 t -65.37 -31.02 52.02 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.202 0 N-CA-C 108.819 -0.808 . . . . 0.0 108.819 178.643 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 25.4 pt-20 -79.6 8.61 6.17 Favored 'General case' 0 CA--C 1.532 0.257 0 N-CA-C 111.844 0.312 . . . . 0.0 111.844 177.875 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -126.97 -8.14 6.02 Favored 'General case' 0 N--CA 1.455 -0.217 0 C-N-CA 123.331 0.652 . . . . 0.0 111.147 176.911 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 74.6 mt -108.91 -27.56 2.91 Favored 'Isoleucine or valine' 0 C--N 1.339 0.124 0 C-N-CA 123.284 0.634 . . . . 0.0 110.375 178.671 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 37' ' ' PHE . . . . . . . . . . . . . 57.4 m-85 -102.83 -8.82 20.46 Favored 'General case' 0 N--CA 1.453 -0.307 0 C-N-CA 122.66 0.384 . . . . 0.0 110.784 -179.84 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 69.1 p -72.63 -15.15 61.73 Favored 'General case' 0 C--N 1.335 -0.058 0 C-N-CA 122.646 0.378 . . . . 0.0 111.535 -178.749 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 18.5 ptmt -80.02 -11.69 59.76 Favored 'General case' 0 N--CA 1.457 -0.125 0 C-N-CA 123.054 0.541 . . . . 0.0 112.342 179.011 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 40' ' ' TYR . . . . . . . . . . . . . 70.1 m-85 -105.68 -16.06 14.79 Favored 'General case' 0 C--O 1.233 0.208 0 C-N-CA 122.426 0.29 . . . . 0.0 111.308 178.125 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -175.74 161.66 30.53 Favored Glycine 0 CA--C 1.524 0.611 0 N-CA-C 111.864 -0.494 . . . . 0.0 111.864 174.319 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 78.1 tttt -71.65 114.83 10.14 Favored 'General case' 0 N--CA 1.452 -0.35 0 N-CA-C 108.72 -0.844 . . . . 0.0 108.72 177.52 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 43' ' ' ILE . . . . . . . . . . . . . 75.8 mt -84.05 129.84 36.91 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.26 0 N-CA-C 109.515 -0.55 . . . . 0.0 109.515 -178.536 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 33.6 m -108.89 -6.01 10.92 Favored 'Isoleucine or valine' 0 C--O 1.231 0.119 0 C-N-CA 123.293 0.637 . . . . 0.0 110.766 178.923 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . -170.0 146.25 9.82 Favored Glycine 0 CA--C 1.526 0.761 0 N-CA-C 109.961 -1.256 . . . . 0.0 109.961 177.517 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 46' ' ' CYS . . . . . . . . . . . . . 42.5 t -151.1 146.26 26.04 Favored 'General case' 0 N--CA 1.451 -0.395 0 CA-C-N 116.914 0.357 . . . . 0.0 110.254 -179.135 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 92.5 p -152.06 150.65 30.17 Favored 'General case' 0 N--CA 1.451 -0.395 0 CA-C-O 121.022 0.439 . . . . 0.0 110.096 177.204 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 48' ' ' VAL . . . . . . . . . . . . . 97.5 t -128.42 149.14 32.97 Favored 'Isoleucine or valine' 0 N--CA 1.456 -0.136 0 N-CA-C 108.617 -0.882 . . . . 0.0 108.617 175.534 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 49' ' ' HIS . . . . . . . . . . . . . 48.6 m-70 -136.02 -160.18 1.03 Allowed 'General case' 0 N--CA 1.451 -0.422 0 N-CA-C 107.961 -1.126 . . . . 0.0 107.961 -176.468 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 29.3 mmmt -97.15 117.81 32.18 Favored 'General case' 0 N--CA 1.456 -0.172 0 O-C-N 121.668 -0.645 . . . . 0.0 109.801 175.969 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 83.85 -9.39 62.95 Favored Glycine 0 CA--C 1.531 1.069 0 C-N-CA 123.627 0.632 . . . . 0.0 113.188 179.4 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 44.7 p90 -153.92 170.14 21.75 Favored 'General case' 0 C--O 1.232 0.138 0 CA-C-N 118.566 1.183 . . . . 0.0 111.919 179.488 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -148.75 172.32 14.8 Favored 'General case' 0 CA--C 1.531 0.224 0 C-N-CA 124.085 0.954 . . . . 0.0 110.06 176.256 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 54' ' ' PHE . . . . . . . . . . . . . 7.6 m-85 -139.67 148.88 43.01 Favored 'General case' 0 N--CA 1.455 -0.193 0 C-N-CA 123.325 0.65 . . . . 0.0 110.647 179.034 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 99.4 t -135.67 149.18 28.04 Favored 'Isoleucine or valine' 0 CA--C 1.519 -0.238 0 C-N-CA 123.938 0.895 . . . . 0.0 108.862 177.558 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 56' ' ' GLN . . . . . . . . . . . . . 65.1 tp60 -129.28 131.68 47.03 Favored 'General case' 0 N--CA 1.451 -0.4 0 N-CA-C 109.2 -0.667 . . . . 0.0 109.2 -178.689 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 57' ' ' TYR . . . . . 0.472 ' HH ' ' CB ' ' A' ' 66' ' ' ALA . 45.0 m-85 -114.74 176.29 5.12 Favored 'General case' 0 N--CA 1.457 -0.103 0 C-N-CA 123.467 0.707 . . . . 0.0 110.801 -179.003 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 58' ' ' VAL . . . . . . . . . . . . . 72.1 t -72.12 -31.23 39.05 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.357 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.056 178.116 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 59' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -155.78 168.53 26.91 Favored 'General case' 0 N--CA 1.454 -0.27 0 N-CA-C 112.302 0.482 . . . . 0.0 112.302 178.133 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 76.7 tt0 -58.19 -31.49 67.35 Favored 'General case' 0 CA--C 1.529 0.165 0 C-N-CA 123.952 0.901 . . . . 0.0 112.249 -178.678 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 19.2 tpp180 -59.13 -38.76 80.43 Favored 'General case' 0 C--O 1.23 0.065 0 CA-C-N 118.864 0.757 . . . . 0.0 110.124 -179.694 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 62' ' ' ASN . . . . . . . . . . . . . 19.4 m120 -71.29 -24.95 62.25 Favored 'General case' 0 N--CA 1.451 -0.405 0 C-N-CA 121.058 -0.257 . . . . 0.0 110.868 179.839 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -76.13 -37.21 58.32 Favored 'General case' 0 N--CA 1.455 -0.211 0 N-CA-C 110.045 -0.354 . . . . 0.0 110.045 178.473 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 64' ' ' ARG . . . . . . . . . . . . . 39.6 mmt180 -67.49 -28.12 67.58 Favored 'General case' 0 C--O 1.23 0.054 0 N-CA-C 109.86 -0.422 . . . . 0.0 109.86 178.283 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -77.81 -33.09 52.63 Favored 'General case' 0 N--CA 1.453 -0.315 0 CA-C-N 117.524 0.147 . . . . 0.0 110.873 -178.833 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 66' ' ' ALA . . . . . 0.472 ' CB ' ' HH ' ' A' ' 57' ' ' TYR . . . -83.5 -34.95 25.22 Favored 'General case' 0 N--CA 1.452 -0.336 0 N-CA-C 111.632 0.234 . . . . 0.0 111.632 179.693 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 67' ' ' VAL . . . . . . . . . . . . . 51.8 t -65.58 -30.7 50.96 Favored 'Isoleucine or valine' 0 C--O 1.227 -0.088 0 N-CA-C 110.019 -0.363 . . . . 0.0 110.019 175.805 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -95.51 -10.07 30.74 Favored 'General case' 0 CA--C 1.531 0.219 0 N-CA-C 112.156 0.428 . . . . 0.0 112.156 177.917 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . -101.71 -14.03 30.68 Favored Glycine 0 CA--C 1.529 0.949 0 CA-C-O 119.175 -0.791 . . . . 0.0 113.87 -177.673 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 41.0 mm-40 -132.37 -18.96 2.49 Favored 'General case' 0 N--CA 1.463 0.188 0 CA-C-N 118.654 1.227 . . . . 0.0 112.116 -174.194 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 20.6 t70 -61.59 117.95 6.43 Favored 'General case' 0 N--CA 1.455 -0.188 0 O-C-N 121.337 -0.852 . . . . 0.0 110.008 178.579 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . 87.4 9.7 72.16 Favored Glycine 0 C--N 1.338 0.649 0 N-CA-C 111.271 -0.732 . . . . 0.0 111.271 179.636 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 73' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -75.19 169.67 17.56 Favored 'General case' 0 N--CA 1.451 -0.407 0 N-CA-C 106.555 -1.646 . . . . 0.0 106.555 171.175 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 74' ' ' MET . . . . . . . . . . . . . 34.3 ttm -115.28 121.56 43.26 Favored 'General case' 0 N--CA 1.448 -0.563 0 N-CA-C 109.404 -0.591 . . . . 0.0 109.404 -177.12 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 75' ' ' ILE . . . . . . . . . . . . . 0.2 OUTLIER -129.14 136.35 59.8 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.286 0 N-CA-C 109.396 -0.594 . . . . 0.0 109.396 179.544 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . 54.31 17.88 1.67 Allowed 'General case' 0 CA--C 1.532 0.262 0 C-N-CA 123.146 0.578 . . . . 0.0 112.143 -174.088 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 88.68 4.53 75.93 Favored Glycine 0 CA--C 1.527 0.808 0 CA-C-O 119.64 -0.533 . . . . 0.0 112.079 -179.369 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 78' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -124.05 131.57 53.57 Favored 'General case' 0 N--CA 1.452 -0.366 0 CA-C-N 117.711 0.756 . . . . 0.0 110.151 -179.371 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 79' ' ' VAL . . . . . . . . . . . . . 51.2 t -63.59 140.92 18.87 Favored 'Isoleucine or valine' 0 N--CA 1.46 0.069 0 C-N-CA 123.985 0.914 . . . . 0.0 110.542 -178.915 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 31.0 mt -94.92 157.39 15.93 Favored 'General case' 0 C--O 1.23 0.042 0 CA-C-O 120.896 0.379 . . . . 0.0 111.437 177.354 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 81' ' ' ASP . . . . . . . . . . . . . 38.6 t70 -124.05 101.01 7.0 Favored 'General case' 0 N--CA 1.453 -0.287 0 N-CA-C 107.796 -1.187 . . . . 0.0 107.796 175.887 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 82' ' ' ILE . . . . . . . . . . . . . 62.6 mt -114.96 138.79 44.1 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.238 0 C-N-CA 122.725 0.41 . . . . 0.0 110.397 -170.83 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 83' ' ' ASN . . . . . . . . . . . . . 6.1 t30 -154.01 158.02 39.96 Favored 'General case' 0 N--CA 1.454 -0.231 0 C-N-CA 123.15 0.58 . . . . 0.0 109.594 -175.863 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 84' ' ' LEU . . . . . . . . . . . . . 9.7 tp -61.5 143.49 55.84 Favored 'General case' 0 N--CA 1.45 -0.442 0 O-C-N 121.697 -0.627 . . . . 0.0 109.832 174.886 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . -70.93 -2.18 14.32 Favored 'General case' 0 CA--C 1.532 0.288 0 N-CA-C 113.159 0.8 . . . . 0.0 113.159 -177.098 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . -129.16 8.31 5.56 Favored 'General case' 0 N--CA 1.457 -0.112 0 CA-C-N 118.475 0.579 . . . . 0.0 112.523 -175.818 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 96.6 mt-10 -138.44 54.38 6.87 Favored Pre-proline 0 CA--C 1.529 0.139 0 C-N-CA 122.683 0.393 . . . . 0.0 111.182 -179.462 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 88' ' ' PRO . . . . . . . . . . . . . 55.7 Cg_endo -63.0 153.84 71.03 Favored 'Trans proline' 0 N--CA 1.451 -1.026 0 C-N-CA 122.429 2.086 . . . . 0.0 109.358 177.715 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 89' ' ' LYS . . . . . 0.461 ' HG3' ' H ' ' A' ' 90' ' ' VAL . 15.3 ptpt -130.64 -102.62 0.29 Allowed 'General case' 0 N--CA 1.451 -0.397 0 CA-C-N 115.973 -0.558 . . . . 0.0 111.473 -172.929 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 90' ' ' VAL . . . . . 0.461 ' H ' ' HG3' ' A' ' 89' ' ' LYS . 5.0 m -135.93 -16.86 0.7 Allowed 'Isoleucine or valine' 0 C--N 1.333 -0.122 0 C-N-CA 123.414 0.685 . . . . 0.0 112.44 -175.59 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 91' ' ' ASN . . . . . . . . . . . . . 21.0 m120 -77.67 -5.21 49.66 Favored 'General case' 0 N--CA 1.454 -0.26 0 N-CA-C 112.356 0.502 . . . . 0.0 112.356 -176.136 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 92' ' ' ARG . . . . . . . . . . . . . 64.8 ttp85 -77.9 87.23 4.1 Favored 'General case' 0 N--CA 1.454 -0.228 0 N-CA-C 109.447 -0.575 . . . . 0.0 109.447 179.152 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . -105.23 -138.99 9.63 Favored Glycine 0 N--CA 1.449 -0.44 0 N-CA-C 109.414 -1.474 . . . . 0.0 109.414 177.039 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 95.1 mttt -140.1 -18.18 0.92 Allowed 'General case' 0 CA--C 1.528 0.117 0 N-CA-C 112.868 0.692 . . . . 0.0 112.868 179.174 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . -157.98 153.98 26.99 Favored 'General case' 0 N--CA 1.453 -0.298 0 CA-C-N 118.178 0.445 . . . . 0.0 110.59 -179.839 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . -83.65 -10.81 80.92 Favored Glycine 0 CA--C 1.526 0.737 0 N-CA-C 111.635 -0.586 . . . . 0.0 111.635 177.258 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 97' ' ' VAL . . . . . 0.431 HG23 ' H ' ' A' ' 99' ' ' ARG . 13.1 p -108.17 140.36 26.93 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.194 0 N-CA-C 108.893 -0.78 . . . . 0.0 108.893 176.35 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 98' ' ' LYS . . . . . . . . . . . . . 71.9 mmtt -110.46 24.81 12.5 Favored 'General case' 0 C--O 1.231 0.083 0 C-N-CA 123.388 0.675 . . . . 0.0 110.777 -176.806 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 99' ' ' ARG . . . . . 0.431 ' H ' HG23 ' A' ' 97' ' ' VAL . 16.6 tpp180 -138.89 170.47 15.93 Favored 'General case' 0 N--CA 1.452 -0.35 0 C-N-CA 124.063 0.945 . . . . 0.0 109.96 -177.017 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 74.5 m -64.89 -14.24 59.06 Favored 'General case' 0 N--CA 1.456 -0.175 0 C-N-CA 123.386 0.674 . . . . 0.0 112.185 178.868 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 101' ' ' ALA . . . . . . . . . . . . . . . 53.12 15.76 0.66 Allowed 'General case' 0 CA--C 1.533 0.326 0 C-N-CA 123.829 0.851 . . . . 0.0 112.596 -175.764 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -148.94 15.68 0.94 Allowed 'General case' 0 CA--C 1.531 0.215 0 C-N-CA 123.564 0.745 . . . . 0.0 110.822 -178.337 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 20.9 pt-20 -69.62 -5.44 24.7 Favored 'General case' 0 CA--C 1.531 0.222 0 N-CA-C 112.531 0.567 . . . . 0.0 112.531 -176.565 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 104' ' ' MET . . . . . . . . . . . . . 73.8 mtm -105.16 7.15 33.62 Favored 'General case' 0 CA--C 1.528 0.107 0 C-N-CA 123.515 0.726 . . . . 0.0 111.17 178.839 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 105' ' ' TYR . . . . . . . . . . . . . 59.1 m-85 -133.73 4.08 3.57 Favored 'General case' 0 CA--C 1.53 0.209 0 C-N-CA 123.196 0.598 . . . . 0.0 111.77 -177.988 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 106' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--N 1.34 0.758 0 N-CA-C 110.494 -1.043 . . . . 0.0 110.494 179.766 . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' B' B ' 1' ' ' ' U' . . . . . 0.495 HO2' ' P ' ' B' ' 2' ' ' ' U' . . . . . . . . 0 O4'--C4' 1.421 -2.671 0 O4'-C1'-N19 111.905 3.705 . 0.0 '__' . 0.0 . . . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 2' ' ' ' U' . . . . . 0.495 ' P ' HO2' ' B' ' 1' ' ' ' U' . . . . . . . . 0 O4'--C4' 1.421 -2.666 1 O4'-C1'-N19 112.645 4.445 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' B' B ' 3' ' ' ' U' . . . . . 0.432 " H5'" " H4'" ' B' ' 2' ' ' ' U' . . . . . . . . 0 O4'--C4' 1.422 -2.612 0 C5'-C4'-C3' 110.919 -3.054 . 0.26 0b . 0.0 . . . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 4' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.421 -2.665 1 O4'-C1'-N19 112.795 4.595 . 0.146 4b . 0.0 . . . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 5' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.423 -2.47 2 O4'-C1'-N19 115.583 7.383 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.474 0.76 0 CA-C-O 120.361 0.124 . . . . 0.0 110.848 . . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 36.7 t -67.84 160.45 28.33 Favored 'General case' 0 N--CA 1.457 -0.103 0 C-N-CA 123.233 0.613 . . . . 0.0 110.743 179.669 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 4' ' ' ASN . . . . . . . . . . . . . 88.9 m-20 -86.34 -4.39 59.16 Favored 'General case' 0 CA--C 1.53 0.192 0 C-N-CA 122.837 0.455 . . . . 0.0 110.979 178.871 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 84.8 t -88.98 131.09 37.19 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.277 0 CA-C-O 120.681 0.277 . . . . 0.0 111.425 -175.782 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 67.3 p -146.28 10.25 1.12 Allowed 'General case' 0 C--O 1.225 -0.19 0 CA-C-N 115.726 -0.67 . . . . 0.0 111.45 179.355 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 7' ' ' ASN . . . . . . . . . . . . . 61.4 t-20 -115.95 102.55 9.76 Favored 'General case' 0 C--O 1.232 0.154 0 CA-C-N 119.458 1.026 . . . . 0.0 111.127 -178.37 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 55.0 mtmt -145.02 149.4 35.05 Favored 'General case' 0 C--N 1.333 -0.118 0 C-N-CA 124.863 1.265 . . . . 0.0 108.425 175.992 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 69.3 p -117.01 15.81 15.09 Favored 'General case' 0 C--N 1.33 -0.267 0 N-CA-C 112.619 0.6 . . . . 0.0 112.619 -173.965 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 14.2 m-20 -63.57 148.63 93.7 Favored Pre-proline 0 N--CA 1.454 -0.237 0 N-CA-C 109.877 -0.416 . . . . 0.0 109.877 177.498 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 11' ' ' PRO . . . . . . . . . . . . . 64.0 Cg_endo -66.11 -2.38 6.78 Favored 'Trans proline' 0 N--CA 1.455 -0.775 0 C-N-CA 124.45 3.434 . . . . 0.0 113.221 -172.159 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -127.25 -33.07 2.42 Favored 'General case' 0 N--CA 1.461 0.094 0 CA-C-N 118.197 0.453 . . . . 0.0 110.246 178.051 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 22.6 m -72.92 -27.59 61.96 Favored 'General case' 0 N--CA 1.453 -0.317 0 O-C-N 121.901 -0.5 . . . . 0.0 111.173 -178.265 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 14' ' ' MET . . . . . . . . . . . . . 16.1 ptm -86.3 -2.85 58.76 Favored 'General case' 0 CA--C 1.531 0.236 0 CA-C-N 118.326 0.512 . . . . 0.0 111.758 177.993 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 64.8 m-80 -104.74 -17.64 14.55 Favored 'General case' 0 CA--C 1.53 0.202 0 C-N-CA 123.048 0.539 . . . . 0.0 109.835 171.586 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 18.0 m -85.92 2.69 45.07 Favored 'General case' 0 N--CA 1.455 -0.217 0 C-N-CA 123.616 0.766 . . . . 0.0 110.846 171.652 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 30.1 ttp-105 -104.85 151.72 23.48 Favored 'General case' 0 N--CA 1.454 -0.262 0 C-N-CA 123.928 0.891 . . . . 0.0 109.287 178.176 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 82.3 t -126.09 129.96 72.19 Favored 'Isoleucine or valine' 0 N--CA 1.449 -0.498 0 C-N-CA 123.234 0.613 . . . . 0.0 109.608 178.518 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 19.2 t80 -92.46 133.85 35.51 Favored 'General case' 0 N--CA 1.451 -0.39 0 CA-C-N 115.234 -0.894 . . . . 0.0 108.981 175.949 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 58.7 mt -121.52 83.89 0.83 Allowed 'Isoleucine or valine' 0 CA--C 1.52 -0.187 0 N-CA-C 107.865 -1.161 . . . . 0.0 107.865 -178.69 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -85.92 173.47 47.0 Favored Glycine 0 CA--C 1.523 0.582 0 N-CA-C 111.045 -0.822 . . . . 0.0 111.045 178.968 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 6.7 t30 51.16 43.5 29.14 Favored 'General case' 0 CA--C 1.531 0.239 0 C-N-CA 123.115 0.566 . . . . 0.0 110.364 179.894 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 60.0 tp -97.37 146.9 24.72 Favored 'General case' 0 CA--C 1.529 0.172 0 C-N-CA 124.265 1.026 . . . . 0.0 109.416 -179.723 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 64.2 t30 -68.97 -42.77 76.13 Favored 'General case' 0 N--CA 1.455 -0.211 0 O-C-N 122.147 -0.346 . . . . 0.0 110.789 -177.91 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 33.5 p 57.32 -4.08 0.04 OUTLIER 'General case' 0 N--CA 1.465 0.296 0 C-N-CA 126.958 2.103 . . . . 0.0 115.155 179.66 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 68.2 mt -83.43 -22.59 32.61 Favored 'General case' 0 N--CA 1.453 -0.324 0 O-C-N 121.894 -0.504 . . . . 0.0 111.97 174.923 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 62.1 t -121.02 -25.46 2.48 Favored 'Isoleucine or valine' 0 CA--C 1.529 0.139 0 C-N-CA 122.777 0.431 . . . . 0.0 111.747 -177.679 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 59.3 t -99.68 146.34 8.95 Favored 'Isoleucine or valine' 0 N--CA 1.461 0.118 0 CA-C-N 118.218 0.463 . . . . 0.0 110.66 179.948 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 8.2 mptt -135.61 171.45 14.43 Favored 'General case' 0 CA--C 1.521 -0.152 0 C-N-CA 123.536 0.735 . . . . 0.0 109.839 -178.764 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 7.3 ptmm? -65.21 -8.1 15.87 Favored 'General case' 0 C--N 1.332 -0.195 0 C-N-CA 124.27 1.028 . . . . 0.0 112.291 179.755 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 47.7 p -94.3 -13.22 26.69 Favored 'General case' 0 C--N 1.333 -0.124 0 C-N-CA 123.631 0.772 . . . . 0.0 110.498 176.149 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 42.8 m-20 -100.65 -35.06 9.62 Favored 'General case' 0 N--CA 1.452 -0.334 0 C-N-CA 124.491 1.117 . . . . 0.0 110.785 178.314 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 93.2 t -65.3 -31.71 55.06 Favored 'Isoleucine or valine' 0 N--CA 1.456 -0.152 0 N-CA-C 109.235 -0.654 . . . . 0.0 109.235 179.541 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 26.5 pt-20 -80.67 9.28 6.38 Favored 'General case' 0 CA--C 1.531 0.219 0 C-N-CA 122.33 0.252 . . . . 0.0 111.652 178.061 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -127.4 -7.1 5.82 Favored 'General case' 0 CA--C 1.532 0.258 0 C-N-CA 123.474 0.71 . . . . 0.0 111.049 176.143 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 74.4 mt -111.48 -27.76 2.74 Favored 'Isoleucine or valine' 0 C--N 1.34 0.178 0 C-N-CA 123.047 0.539 . . . . 0.0 110.501 178.901 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 37' ' ' PHE . . . . . . . . . . . . . 65.2 m-85 -104.24 -5.62 21.71 Favored 'General case' 0 N--CA 1.454 -0.234 0 C-N-CA 122.76 0.424 . . . . 0.0 110.988 179.513 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 68.5 p -76.68 -14.32 59.97 Favored 'General case' 0 CA--C 1.53 0.178 0 C-N-CA 122.684 0.394 . . . . 0.0 111.611 179.855 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 13.1 ptmm? -82.51 -10.91 58.81 Favored 'General case' 0 CA--C 1.528 0.121 0 C-N-CA 123.078 0.551 . . . . 0.0 112.119 178.813 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 40' ' ' TYR . . . . . . . . . . . . . 83.9 m-85 -106.07 -14.86 15.04 Favored 'General case' 0 C--O 1.233 0.187 0 C-N-CA 122.677 0.391 . . . . 0.0 111.41 177.556 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -176.78 164.27 33.73 Favored Glycine 0 C--N 1.335 0.491 0 N-CA-C 112.303 -0.319 . . . . 0.0 112.303 174.521 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 79.1 tttt -74.65 112.99 11.4 Favored 'General case' 0 N--CA 1.451 -0.386 0 N-CA-C 109.132 -0.692 . . . . 0.0 109.132 177.658 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 43' ' ' ILE . . . . . . . . . . . . . 76.7 mt -83.45 128.62 38.61 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.192 0 N-CA-C 109.66 -0.496 . . . . 0.0 109.66 -178.153 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 34.5 m -107.16 -8.53 10.68 Favored 'Isoleucine or valine' 0 C--O 1.23 0.051 0 C-N-CA 123.368 0.667 . . . . 0.0 110.608 178.883 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . -169.71 147.29 10.77 Favored Glycine 0 CA--C 1.527 0.791 0 N-CA-C 110.383 -1.087 . . . . 0.0 110.383 177.685 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 46' ' ' CYS . . . . . . . . . . . . . 54.1 t -152.3 144.21 23.71 Favored 'General case' 0 N--CA 1.451 -0.42 0 N-CA-C 109.668 -0.493 . . . . 0.0 109.668 178.401 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 32.5 t -151.1 134.54 16.22 Favored 'General case' 0 N--CA 1.451 -0.395 0 N-CA-C 109.615 -0.513 . . . . 0.0 109.615 177.112 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 48' ' ' VAL . . . . . . . . . . . . . 86.9 t -109.84 147.92 13.85 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.19 0 N-CA-C 109.262 -0.644 . . . . 0.0 109.262 178.223 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 49' ' ' HIS . . . . . . . . . . . . . 54.2 m-70 -134.26 -168.34 2.12 Favored 'General case' 0 N--CA 1.451 -0.423 0 N-CA-C 107.973 -1.121 . . . . 0.0 107.973 -177.353 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 98.0 mttt -86.71 118.8 26.35 Favored 'General case' 0 N--CA 1.454 -0.256 0 O-C-N 121.718 -0.613 . . . . 0.0 109.885 177.529 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 80.89 -9.52 52.16 Favored Glycine 0 CA--C 1.531 1.073 0 C-N-CA 123.636 0.636 . . . . 0.0 113.692 178.789 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 51.7 p90 -153.36 169.84 22.13 Favored 'General case' 0 N--CA 1.456 -0.174 0 CA-C-N 118.664 1.232 . . . . 0.0 111.632 179.291 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -147.98 172.21 14.57 Favored 'General case' 0 CA--C 1.531 0.24 0 C-N-CA 123.794 0.838 . . . . 0.0 110.428 177.001 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 54' ' ' PHE . . . . . . . . . . . . . 13.4 m-85 -138.93 147.31 42.13 Favored 'General case' 0 N--CA 1.454 -0.236 0 C-N-CA 123.802 0.841 . . . . 0.0 110.26 179.072 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 94.7 t -137.7 135.51 46.02 Favored 'Isoleucine or valine' 0 CA--C 1.519 -0.226 0 C-N-CA 123.887 0.875 . . . . 0.0 109.214 178.593 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 56' ' ' GLN . . . . . . . . . . . . . 66.9 tp60 -114.57 130.79 56.81 Favored 'General case' 0 N--CA 1.452 -0.37 0 N-CA-C 109.295 -0.632 . . . . 0.0 109.295 -178.666 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 57' ' ' TYR . . . . . . . . . . . . . 45.7 m-85 -111.33 173.66 6.23 Favored 'General case' 0 N--CA 1.455 -0.22 0 C-N-CA 123.385 0.674 . . . . 0.0 110.37 178.392 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 58' ' ' VAL . . . . . . . . . . . . . 62.8 t -70.5 -32.06 48.63 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.19 0 N-CA-C 110.083 -0.34 . . . . 0.0 110.083 178.438 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 59' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -154.98 166.56 33.19 Favored 'General case' 0 CA--C 1.53 0.194 0 CA-C-O 120.962 0.41 . . . . 0.0 112.093 178.86 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 77.0 tt0 -57.83 -29.69 65.14 Favored 'General case' 0 CA--C 1.529 0.172 0 C-N-CA 123.702 0.801 . . . . 0.0 112.641 -178.616 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 35.9 tpt85 -60.12 -37.5 80.23 Favored 'General case' 0 CA--C 1.528 0.123 0 CA-C-N 119.071 0.85 . . . . 0.0 110.075 179.909 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 62' ' ' ASN . . . . . . . . . . . . . 19.0 m120 -74.33 -25.09 59.33 Favored 'General case' 0 N--CA 1.452 -0.369 0 C-N-CA 120.822 -0.351 . . . . 0.0 111.104 178.871 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -76.6 -36.71 57.35 Favored 'General case' 0 N--CA 1.455 -0.224 0 N-CA-C 110.327 -0.249 . . . . 0.0 110.327 178.112 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 64' ' ' ARG . . . . . . . . . . . . . 31.6 mmt180 -69.86 -25.97 63.98 Favored 'General case' 0 N--CA 1.457 -0.078 0 C-N-CA 122.538 0.335 . . . . 0.0 110.374 178.629 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -79.29 -33.65 43.17 Favored 'General case' 0 N--CA 1.453 -0.3 0 O-C-N 122.49 -0.131 . . . . 0.0 111.083 179.225 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -80.29 -35.08 36.31 Favored 'General case' 0 N--CA 1.451 -0.392 0 O-C-N 122.092 -0.38 . . . . 0.0 111.103 179.812 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 67' ' ' VAL . . . . . . . . . . . . . 49.9 t -66.59 -33.56 64.29 Favored 'Isoleucine or valine' 0 N--CA 1.456 -0.156 0 N-CA-C 110.0 -0.37 . . . . 0.0 110.0 176.154 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -90.44 -9.46 47.39 Favored 'General case' 0 N--CA 1.453 -0.307 0 O-C-N 122.212 -0.305 . . . . 0.0 111.795 178.224 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . -105.04 -11.69 29.34 Favored Glycine 0 CA--C 1.531 1.073 0 CA-C-O 119.065 -0.853 . . . . 0.0 113.792 -177.256 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 28.3 mm-40 -135.33 -20.59 1.62 Allowed 'General case' 0 CA--C 1.53 0.185 0 CA-C-N 118.735 1.267 . . . . 0.0 112.554 -174.544 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 22.8 t0 -61.88 116.85 5.2 Favored 'General case' 0 N--CA 1.455 -0.2 0 O-C-N 120.909 -1.119 . . . . 0.0 109.974 178.992 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . 88.33 9.91 69.09 Favored Glycine 0 C--N 1.34 0.794 0 N-CA-C 111.141 -0.783 . . . . 0.0 111.141 179.837 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 73' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -76.29 169.51 18.09 Favored 'General case' 0 N--CA 1.452 -0.353 0 N-CA-C 106.381 -1.711 . . . . 0.0 106.381 172.133 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 74' ' ' MET . . . . . . . . . . . . . 31.5 ttm -114.72 121.03 42.09 Favored 'General case' 0 N--CA 1.45 -0.471 0 N-CA-C 109.245 -0.65 . . . . 0.0 109.245 -177.116 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 75' ' ' ILE . . . . . . . . . . . . . 0.2 OUTLIER -128.29 136.89 58.92 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.239 0 CA-C-N 115.983 -0.553 . . . . 0.0 109.979 179.621 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . 54.27 19.11 2.07 Favored 'General case' 0 CA--C 1.532 0.274 0 C-N-CA 123.097 0.559 . . . . 0.0 111.916 -173.666 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 88.05 5.07 77.45 Favored Glycine 0 CA--C 1.527 0.834 0 CA-C-O 119.835 -0.425 . . . . 0.0 112.099 -179.325 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 78' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -125.97 134.54 51.48 Favored 'General case' 0 CA--C 1.534 0.364 0 CA-C-N 117.841 0.82 . . . . 0.0 110.812 -179.397 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 79' ' ' VAL . . . . . . . . . . . . . 65.6 t -63.22 141.42 18.15 Favored 'Isoleucine or valine' 0 C--O 1.228 -0.069 0 C-N-CA 124.715 1.206 . . . . 0.0 110.884 -178.833 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 29.9 mt -97.5 157.23 16.12 Favored 'General case' 0 C--N 1.333 -0.151 0 CA-C-O 120.709 0.29 . . . . 0.0 111.54 176.064 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 81' ' ' ASP . . . . . . . . . . . . . 31.0 t70 -123.04 103.77 8.8 Favored 'General case' 0 N--CA 1.452 -0.365 0 N-CA-C 107.971 -1.122 . . . . 0.0 107.971 174.474 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 82' ' ' ILE . . . . . . . . . . . . . 64.0 mt -119.85 139.85 45.79 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.181 0 CA-C-N 116.381 -0.372 . . . . 0.0 110.511 -170.007 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 83' ' ' ASN . . . . . . . . . . . . . 1.6 p-10 -161.33 170.45 20.11 Favored 'General case' 0 CA--C 1.527 0.084 0 C-N-CA 123.543 0.737 . . . . 0.0 110.343 179.674 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 84' ' ' LEU . . . . . . . . . . . . . 3.2 mm? -61.2 149.62 37.02 Favored 'General case' 0 C--O 1.227 -0.115 0 N-CA-C 108.977 -0.749 . . . . 0.0 108.977 176.025 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . -71.18 4.95 2.4 Favored 'General case' 0 CA--C 1.534 0.333 0 N-CA-C 111.92 0.341 . . . . 0.0 111.92 178.147 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . -138.19 -4.16 1.72 Allowed 'General case' 0 CA--C 1.531 0.237 0 N-CA-C 112.472 0.545 . . . . 0.0 112.472 -178.92 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 80.5 mm-40 -138.18 69.49 48.43 Favored Pre-proline 0 N--CA 1.454 -0.258 0 N-CA-C 109.407 -0.59 . . . . 0.0 109.407 179.74 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 88' ' ' PRO . . . . . . . . . . . . . 56.1 Cg_endo -64.17 143.62 84.48 Favored 'Trans proline' 0 N--CA 1.45 -1.061 0 C-N-CA 123.221 2.614 . . . . 0.0 108.422 176.735 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 89' ' ' LYS . . . . . 0.433 ' HG3' ' H ' ' A' ' 90' ' ' VAL . 2.3 ptpp? -56.76 -55.23 36.91 Favored 'General case' 0 CA--C 1.527 0.081 0 N-CA-C 113.276 0.843 . . . . 0.0 113.276 -169.581 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 90' ' ' VAL . . . . . 0.433 ' H ' ' HG3' ' A' ' 89' ' ' LYS . 8.3 p -156.79 -37.41 0.04 OUTLIER 'Isoleucine or valine' 0 N--CA 1.456 -0.155 0 CA-C-N 117.986 0.357 . . . . 0.0 111.532 -178.863 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 91' ' ' ASN . . . . . . . . . . . . . 68.2 m-80 -139.71 163.27 33.03 Favored 'General case' 0 N--CA 1.45 -0.45 0 CA-C-N 116.365 -0.379 . . . . 0.0 110.379 177.815 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 92' ' ' ARG . . . . . . . . . . . . . 46.1 ttp85 -98.69 -44.48 6.4 Favored 'General case' 0 N--CA 1.455 -0.221 0 N-CA-C 109.533 -0.543 . . . . 0.0 109.533 174.159 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . 58.11 -158.35 16.23 Favored Glycine 0 CA--C 1.523 0.58 0 C-N-CA 123.57 0.605 . . . . 0.0 113.03 176.634 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 37.5 ttpt -142.57 -29.92 0.56 Allowed 'General case' 0 N--CA 1.452 -0.356 0 C-N-CA 123.371 0.669 . . . . 0.0 111.413 178.263 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . -154.16 143.15 21.13 Favored 'General case' 0 N--CA 1.452 -0.358 0 C-N-CA 122.667 0.387 . . . . 0.0 110.448 179.7 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . -83.19 -12.15 79.58 Favored Glycine 0 CA--C 1.526 0.758 0 N-CA-C 111.79 -0.524 . . . . 0.0 111.79 177.708 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 97' ' ' VAL . . . . . . . . . . . . . 50.0 t -102.3 128.82 54.61 Favored 'Isoleucine or valine' 0 C--N 1.338 0.073 0 N-CA-C 108.767 -0.827 . . . . 0.0 108.767 178.318 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 98' ' ' LYS . . . . . . . . . . . . . 61.1 mttm -129.68 12.99 5.89 Favored 'General case' 0 C--O 1.231 0.11 0 C-N-CA 122.828 0.451 . . . . 0.0 112.044 -174.626 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 99' ' ' ARG . . . . . . . . . . . . . 2.1 mpp_? -117.9 170.94 8.41 Favored 'General case' 0 N--CA 1.457 -0.107 0 C-N-CA 124.847 1.259 . . . . 0.0 109.388 178.435 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 9.1 t -72.03 -12.64 61.32 Favored 'General case' 0 N--CA 1.455 -0.22 0 CA-C-N 116.403 -0.362 . . . . 0.0 110.981 178.909 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 101' ' ' ALA . . . . . . . . . . . . . . . 55.71 9.01 0.37 Allowed 'General case' 0 CA--C 1.534 0.346 0 C-N-CA 124.483 1.113 . . . . 0.0 113.128 -174.911 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -147.87 6.59 0.81 Allowed 'General case' 0 CA--C 1.533 0.311 0 C-N-CA 123.449 0.7 . . . . 0.0 111.367 179.022 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 12.1 pt-20 -74.6 -7.55 53.53 Favored 'General case' 0 CA--C 1.527 0.089 0 O-C-N 122.141 -0.35 . . . . 0.0 111.913 -176.581 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 104' ' ' MET . . . . . . . . . . . . . 3.9 mpp? -91.61 2.16 56.65 Favored 'General case' 0 N--CA 1.453 -0.294 0 C-N-CA 122.978 0.511 . . . . 0.0 110.819 177.034 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 105' ' ' TYR . . . . . . . . . . . . . 31.7 m-85 -133.76 4.51 3.59 Favored 'General case' 0 CA--C 1.532 0.255 0 C-N-CA 123.133 0.573 . . . . 0.0 111.572 -176.282 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 106' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.525 0.664 0 N-CA-C 111.353 -0.699 . . . . 0.0 111.353 -179.82 . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' B' B ' 1' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.423 -2.472 1 C5'-C4'-C3' 108.245 -4.836 . 0.0 '__' . 0.0 . . . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 2' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.421 -2.64 1 O4'-C1'-N19 112.593 4.393 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 3' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.421 -2.683 0 C5'-C4'-C3' 111.659 -2.561 . 0.462 0b . 0.0 . . . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' B' B ' 4' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.423 -2.499 1 O4'-C1'-N19 112.776 4.576 . 0.123 4b . 0.0 . . . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 5' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.42 -2.782 1 O4'-C1'-N19 113.425 5.225 . 0.173 2u . 0.0 . . . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.475 0.779 0 CA-C-O 120.607 0.241 . . . . 0.0 110.736 . . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 45.8 m -71.0 159.67 34.34 Favored 'General case' 0 CA--C 1.528 0.113 0 C-N-CA 123.019 0.528 . . . . 0.0 110.511 178.54 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 4' ' ' ASN . . . . . . . . . . . . . 53.3 p-10 -85.83 6.67 27.07 Favored 'General case' 0 CA--C 1.531 0.217 0 N-CA-C 112.006 0.373 . . . . 0.0 112.006 -179.479 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 94.7 t -96.51 131.61 42.87 Favored 'Isoleucine or valine' 0 N--CA 1.456 -0.163 0 C-N-CA 122.987 0.515 . . . . 0.0 110.745 -177.864 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 40.0 p -146.54 12.01 1.15 Allowed 'General case' 0 CA--C 1.529 0.162 0 C-N-CA 123.315 0.646 . . . . 0.0 111.714 179.325 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 7' ' ' ASN . . . . . . . . . . . . . 62.2 t-20 -118.84 115.1 23.71 Favored 'General case' 0 C--O 1.231 0.121 0 CA-C-N 119.137 0.88 . . . . 0.0 111.764 -177.865 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 67.4 mttm -150.99 164.52 36.2 Favored 'General case' 0 CA--C 1.53 0.176 0 C-N-CA 126.194 1.797 . . . . 0.0 107.611 174.487 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 75.9 p -126.97 17.76 7.25 Favored 'General case' 0 N--CA 1.462 0.152 0 N-CA-C 112.421 0.526 . . . . 0.0 112.421 -179.712 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 16.0 m-20 -70.55 152.58 95.34 Favored Pre-proline 0 CA--C 1.533 0.316 0 N-CA-C 109.957 -0.386 . . . . 0.0 109.957 178.19 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 11' ' ' PRO . . . . . . . . . . . . . 67.7 Cg_endo -67.38 -0.47 5.07 Favored 'Trans proline' 0 N--CA 1.457 -0.66 0 C-N-CA 124.2 3.267 . . . . 0.0 113.471 -174.477 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -128.73 -28.71 2.44 Favored 'General case' 0 C--O 1.227 -0.117 0 CA-C-N 118.499 0.59 . . . . 0.0 110.758 176.43 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 33.5 m -74.63 -27.74 60.57 Favored 'General case' 0 N--CA 1.453 -0.312 0 CA-C-O 119.479 -0.295 . . . . 0.0 111.392 -179.883 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 14' ' ' MET . . . . . . . . . . . . . 11.0 ptm -92.11 -4.53 54.2 Favored 'General case' 0 N--CA 1.455 -0.187 0 CA-C-N 118.537 0.608 . . . . 0.0 112.442 178.821 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 72.5 m-80 -104.58 -19.57 13.95 Favored 'General case' 0 N--CA 1.454 -0.235 0 C-N-CA 122.423 0.289 . . . . 0.0 110.906 177.025 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 14.9 m -85.86 15.35 4.95 Favored 'General case' 0 CA--C 1.529 0.168 0 C-N-CA 123.17 0.588 . . . . 0.0 110.64 170.722 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 35.5 ttm180 -111.96 155.82 23.11 Favored 'General case' 0 N--CA 1.456 -0.146 0 C-N-CA 124.472 1.109 . . . . 0.0 110.163 -176.164 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 75.0 t -131.59 133.13 62.02 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.214 0 N-CA-C 109.949 -0.389 . . . . 0.0 109.949 177.155 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 35.6 t80 -94.12 135.63 35.28 Favored 'General case' 0 N--CA 1.45 -0.443 0 N-CA-C 108.949 -0.76 . . . . 0.0 108.949 175.443 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 59.3 mt -122.45 82.44 0.76 Allowed 'Isoleucine or valine' 0 N--CA 1.457 -0.1 0 N-CA-C 107.897 -1.149 . . . . 0.0 107.897 -179.376 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -84.48 175.18 50.83 Favored Glycine 0 CA--C 1.521 0.436 0 N-CA-C 110.759 -0.936 . . . . 0.0 110.759 178.796 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 61.3 t30 48.62 46.37 21.2 Favored 'General case' 0 CA--C 1.531 0.221 0 C-N-CA 122.708 0.403 . . . . 0.0 110.771 -178.057 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 59.4 tp -98.79 144.77 27.65 Favored 'General case' 0 N--CA 1.454 -0.236 0 C-N-CA 123.114 0.566 . . . . 0.0 109.627 179.244 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 63.8 t30 -67.91 -39.15 83.6 Favored 'General case' 0 CA--C 1.528 0.13 0 C-N-CA 120.964 -0.294 . . . . 0.0 111.075 -178.112 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 35.8 p 54.14 4.86 0.06 Allowed 'General case' 0 N--CA 1.467 0.385 0 C-N-CA 126.19 1.796 . . . . 0.0 115.287 179.527 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 7.3 mp -98.87 -15.05 19.34 Favored 'General case' 0 CA--C 1.53 0.209 0 C-N-CA 123.353 0.661 . . . . 0.0 111.383 177.256 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 62.5 t -126.33 -23.71 1.79 Allowed 'Isoleucine or valine' 0 CA--C 1.528 0.11 0 C-N-CA 122.526 0.331 . . . . 0.0 110.587 179.443 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 49.7 t -102.96 145.65 11.98 Favored 'Isoleucine or valine' 0 N--CA 1.462 0.136 0 N-CA-C 110.084 -0.339 . . . . 0.0 110.084 178.515 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 8.0 mptt -135.49 172.26 13.27 Favored 'General case' 0 N--CA 1.457 -0.095 0 C-N-CA 123.304 0.642 . . . . 0.0 110.143 -178.308 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 9.5 ptmt -67.27 -4.52 10.88 Favored 'General case' 0 CA--C 1.528 0.111 0 C-N-CA 123.584 0.754 . . . . 0.0 112.125 178.159 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 32.2 m -98.76 0.61 44.81 Favored 'General case' 0 CA--C 1.531 0.216 0 C-N-CA 123.377 0.671 . . . . 0.0 110.749 173.979 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 20.0 m-20 -117.06 -32.86 4.9 Favored 'General case' 0 N--CA 1.452 -0.365 0 C-N-CA 123.897 0.879 . . . . 0.0 110.925 179.906 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 77.5 t -62.59 -31.94 53.73 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.175 0 N-CA-C 109.375 -0.602 . . . . 0.0 109.375 177.511 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 24.1 pt-20 -77.76 5.43 9.45 Favored 'General case' 0 CA--C 1.531 0.249 0 N-CA-C 112.179 0.437 . . . . 0.0 112.179 178.635 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -125.19 -8.29 7.07 Favored 'General case' 0 N--CA 1.455 -0.201 0 C-N-CA 122.815 0.446 . . . . 0.0 111.183 177.223 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 81.1 mt -108.75 -27.64 2.9 Favored 'Isoleucine or valine' 0 CA--C 1.527 0.085 0 C-N-CA 123.276 0.63 . . . . 0.0 110.942 179.756 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 37' ' ' PHE . . . . . . . . . . . . . 62.6 m-85 -104.12 -9.69 18.54 Favored 'General case' 0 N--CA 1.453 -0.312 0 C-N-CA 122.535 0.334 . . . . 0.0 110.841 179.915 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 23.3 t -75.13 -8.17 55.82 Favored 'General case' 0 CA--C 1.528 0.134 0 O-C-N 121.995 -0.44 . . . . 0.0 111.119 -178.63 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 13.1 ptmm? -85.07 -11.29 55.62 Favored 'General case' 0 CA--C 1.528 0.103 0 C-N-CA 122.779 0.432 . . . . 0.0 112.011 178.25 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 40' ' ' TYR . . . . . . . . . . . . . 67.9 m-85 -105.83 -15.5 14.92 Favored 'General case' 0 C--N 1.34 0.162 0 C-N-CA 122.518 0.327 . . . . 0.0 111.46 178.495 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -176.33 162.61 31.44 Favored Glycine 0 C--N 1.333 0.413 0 N-CA-C 111.317 -0.713 . . . . 0.0 111.317 174.737 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 56.0 tttp -72.99 114.95 11.71 Favored 'General case' 0 N--CA 1.451 -0.42 0 N-CA-C 108.644 -0.872 . . . . 0.0 108.644 178.225 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 43' ' ' ILE . . . . . . . . . . . . . 70.2 mt -82.55 130.37 35.88 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.301 0 N-CA-C 109.765 -0.457 . . . . 0.0 109.765 -179.001 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 32.5 m -108.96 -5.66 10.89 Favored 'Isoleucine or valine' 0 N--CA 1.458 -0.072 0 C-N-CA 123.201 0.6 . . . . 0.0 110.653 178.823 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . -171.09 145.66 9.07 Favored Glycine 0 CA--C 1.524 0.654 0 N-CA-C 109.824 -1.31 . . . . 0.0 109.824 177.466 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 46' ' ' CYS . . . . . . . . . . . . . 24.9 p -148.63 152.88 37.5 Favored 'General case' 0 N--CA 1.452 -0.353 0 CA-C-N 116.976 0.388 . . . . 0.0 110.057 -179.55 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 20.2 t -159.85 151.89 20.55 Favored 'General case' 0 N--CA 1.452 -0.329 0 CA-C-O 120.692 0.282 . . . . 0.0 110.417 176.218 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 48' ' ' VAL . . . . . . . . . . . . . 94.5 t -128.6 146.32 34.18 Favored 'Isoleucine or valine' 0 CA--C 1.522 -0.128 0 C-N-CA 123.4 0.68 . . . . 0.0 109.203 176.205 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 49' ' ' HIS . . . . . . . . . . . . . 53.0 m-70 -134.31 -163.98 1.44 Allowed 'General case' 0 N--CA 1.449 -0.489 0 C-N-CA 124.399 1.08 . . . . 0.0 108.13 -176.295 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 65.5 mttp -90.7 116.95 28.96 Favored 'General case' 0 N--CA 1.454 -0.261 0 N-CA-C 109.631 -0.507 . . . . 0.0 109.631 177.139 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 81.27 -9.32 54.99 Favored Glycine 0 CA--C 1.531 1.033 0 CA-C-O 119.292 -0.727 . . . . 0.0 113.531 178.548 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 46.4 p90 -150.53 170.16 19.79 Favored 'General case' 0 CA--C 1.528 0.115 0 CA-C-N 118.783 1.291 . . . . 0.0 111.661 178.149 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -148.01 172.86 13.56 Favored 'General case' 0 N--CA 1.453 -0.276 0 C-N-CA 123.95 0.9 . . . . 0.0 110.12 175.324 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 54' ' ' PHE . . . . . . . . . . . . . 13.6 m-85 -140.1 149.3 42.91 Favored 'General case' 0 N--CA 1.454 -0.237 0 C-N-CA 123.539 0.736 . . . . 0.0 110.909 -179.319 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 90.0 t -137.67 146.92 26.73 Favored 'Isoleucine or valine' 0 CA--C 1.519 -0.248 0 C-N-CA 124.084 0.954 . . . . 0.0 109.092 177.448 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 56' ' ' GLN . . . . . . . . . . . . . 68.3 tp60 -126.77 133.67 50.78 Favored 'General case' 0 N--CA 1.447 -0.62 0 N-CA-C 109.241 -0.651 . . . . 0.0 109.241 179.989 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 57' ' ' TYR . . . . . 0.432 ' HH ' ' CB ' ' A' ' 66' ' ' ALA . 52.4 m-85 -115.94 175.02 5.73 Favored 'General case' 0 N--CA 1.454 -0.269 0 C-N-CA 123.43 0.692 . . . . 0.0 110.62 -179.506 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 58' ' ' VAL . . . . . . . . . . . . . 74.9 t -69.39 -31.62 50.13 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.217 0 CA-C-N 116.236 -0.438 . . . . 0.0 109.933 177.82 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 59' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -155.61 166.97 31.91 Favored 'General case' 0 N--CA 1.452 -0.359 0 N-CA-C 112.167 0.432 . . . . 0.0 112.167 178.519 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 86.0 tt0 -57.47 -30.67 65.24 Favored 'General case' 0 CA--C 1.53 0.179 0 C-N-CA 123.905 0.882 . . . . 0.0 112.703 -179.216 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 26.8 tpt180 -59.2 -39.29 82.15 Favored 'General case' 0 N--CA 1.461 0.094 0 CA-C-N 119.307 0.958 . . . . 0.0 109.666 179.556 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 62' ' ' ASN . . . . . . . . . . . . . 19.7 m120 -71.48 -24.43 61.99 Favored 'General case' 0 N--CA 1.45 -0.429 0 C-N-CA 120.599 -0.441 . . . . 0.0 111.025 -179.747 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -75.07 -38.49 61.28 Favored 'General case' 0 N--CA 1.454 -0.255 0 N-CA-C 110.191 -0.3 . . . . 0.0 110.191 177.55 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 64' ' ' ARG . . . . . . . . . . . . . 36.1 mmt180 -69.19 -25.0 64.12 Favored 'General case' 0 CA--C 1.528 0.133 0 N-CA-C 110.397 -0.223 . . . . 0.0 110.397 179.25 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -80.67 -32.88 35.89 Favored 'General case' 0 N--CA 1.454 -0.262 0 O-C-N 122.519 -0.113 . . . . 0.0 110.933 -179.548 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 66' ' ' ALA . . . . . 0.432 ' CB ' ' HH ' ' A' ' 57' ' ' TYR . . . -81.72 -34.37 30.58 Favored 'General case' 0 N--CA 1.453 -0.31 0 O-C-N 122.164 -0.335 . . . . 0.0 111.022 179.089 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 67' ' ' VAL . . . . . . . . . . . . . 45.6 t -64.87 -34.84 73.05 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.203 0 N-CA-C 109.96 -0.385 . . . . 0.0 109.96 175.05 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -90.41 -10.02 45.4 Favored 'General case' 0 CA--C 1.532 0.277 0 N-CA-C 111.867 0.321 . . . . 0.0 111.867 178.794 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . -101.71 -14.3 29.93 Favored Glycine 0 CA--C 1.53 1.019 0 CA-C-O 119.181 -0.788 . . . . 0.0 113.814 -177.418 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 41.8 mm-40 -133.62 -19.85 2.08 Favored 'General case' 0 C--N 1.34 0.185 0 CA-C-N 118.721 1.261 . . . . 0.0 112.603 -173.467 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 21.5 t0 -61.96 116.69 5.1 Favored 'General case' 0 N--CA 1.456 -0.173 0 O-C-N 121.381 -0.825 . . . . 0.0 110.011 179.052 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . 89.32 9.7 66.78 Favored Glycine 0 C--N 1.338 0.66 0 N-CA-C 111.252 -0.739 . . . . 0.0 111.252 -179.92 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 73' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -75.91 168.97 19.05 Favored 'General case' 0 N--CA 1.452 -0.356 0 N-CA-C 106.493 -1.669 . . . . 0.0 106.493 171.976 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 74' ' ' MET . . . . . . . . . . . . . 34.7 ttm -114.78 122.85 47.64 Favored 'General case' 0 N--CA 1.448 -0.536 0 N-CA-C 109.227 -0.657 . . . . 0.0 109.227 -176.93 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 75' ' ' ILE . . . . . . . . . . . . . 0.2 OUTLIER -130.44 135.95 59.5 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.393 0 N-CA-C 109.368 -0.604 . . . . 0.0 109.368 179.839 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . 54.8 17.33 1.72 Allowed 'General case' 0 CA--C 1.533 0.308 0 C-N-CA 122.977 0.511 . . . . 0.0 112.296 -174.595 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 89.54 4.9 72.72 Favored Glycine 0 CA--C 1.527 0.789 0 CA-C-O 119.644 -0.531 . . . . 0.0 111.962 -179.388 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 78' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -124.92 131.37 53.44 Favored 'General case' 0 N--CA 1.451 -0.38 0 CA-C-N 117.883 0.842 . . . . 0.0 110.255 -179.38 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 79' ' ' VAL . . . . . . . . . . . . . 47.5 t -63.12 139.81 20.65 Favored 'Isoleucine or valine' 0 CA--C 1.523 -0.086 0 C-N-CA 124.296 1.038 . . . . 0.0 110.144 -179.212 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 31.2 mt -93.62 156.72 16.55 Favored 'General case' 0 C--O 1.232 0.153 0 CA-C-O 120.691 0.282 . . . . 0.0 110.836 177.17 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 81' ' ' ASP . . . . . . . . . . . . . 33.4 t70 -123.6 102.55 7.92 Favored 'General case' 0 N--CA 1.451 -0.376 0 N-CA-C 108.221 -1.029 . . . . 0.0 108.221 174.338 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 82' ' ' ILE . . . . . . . . . . . . . 61.0 mt -117.48 138.75 47.14 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.285 0 C-N-CA 123.255 0.622 . . . . 0.0 110.397 -169.917 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 83' ' ' ASN . . . . . . . . . . . . . 2.1 p-10 -156.85 164.83 37.63 Favored 'General case' 0 N--CA 1.455 -0.219 0 CA-C-O 121.135 0.493 . . . . 0.0 111.192 179.273 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 84' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -58.99 132.05 52.87 Favored 'General case' 0 N--CA 1.452 -0.334 0 N-CA-C 108.425 -0.954 . . . . 0.0 108.425 174.924 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . -62.99 1.68 0.4 Allowed 'General case' 0 CA--C 1.532 0.288 0 N-CA-C 114.264 1.209 . . . . 0.0 114.264 -175.002 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . -130.19 4.5 4.81 Favored 'General case' 0 CA--C 1.532 0.253 0 CA-C-N 118.491 0.587 . . . . 0.0 111.623 179.299 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 61.3 mt-10 -141.18 67.85 26.74 Favored Pre-proline 0 C--O 1.233 0.188 0 C-N-CA 123.197 0.599 . . . . 0.0 109.843 179.199 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 88' ' ' PRO . . . . . . . . . . . . . 43.1 Cg_endo -62.62 149.86 89.7 Favored 'Trans proline' 0 N--CA 1.452 -0.913 0 C-N-CA 123.352 2.701 . . . . 0.0 109.652 176.223 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 89' ' ' LYS . . . . . 0.507 ' HG3' ' H ' ' A' ' 90' ' ' VAL . 15.5 ptpt -82.57 -100.74 0.04 OUTLIER 'General case' 0 N--CA 1.454 -0.254 0 CA-C-N 115.525 -0.761 . . . . 0.0 111.158 -174.544 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 90' ' ' VAL . . . . . 0.507 ' H ' ' HG3' ' A' ' 89' ' ' LYS . 79.5 t -144.77 -32.84 0.13 Allowed 'Isoleucine or valine' 0 C--N 1.333 -0.139 0 C-N-CA 123.298 0.639 . . . . 0.0 111.353 -174.354 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 91' ' ' ASN . . . . . . . . . . . . . 45.0 m-80 -94.46 8.98 40.2 Favored 'General case' 0 CA--C 1.532 0.257 0 N-CA-C 112.638 0.607 . . . . 0.0 112.638 -175.343 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 92' ' ' ARG . . . . . . . . . . . . . 5.3 tmm_? -72.04 83.43 0.97 Allowed 'General case' 0 C--N 1.34 0.178 0 N-CA-C 108.523 -0.917 . . . . 0.0 108.523 177.409 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . -173.17 45.38 0.16 Allowed Glycine 0 CA--C 1.522 0.53 0 C-N-CA 121.205 -0.522 . . . . 0.0 113.789 -177.929 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 87.6 mttt 60.9 -3.34 0.16 Allowed 'General case' 0 N--CA 1.463 0.208 0 N-CA-C 114.772 1.397 . . . . 0.0 114.772 176.94 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . -157.11 161.7 39.41 Favored 'General case' 0 N--CA 1.453 -0.312 0 CA-C-N 118.199 0.454 . . . . 0.0 110.927 -177.958 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . 164.02 -16.02 0.11 Allowed Glycine 0 C--N 1.336 0.549 0 CA-C-N 116.347 -0.388 . . . . 0.0 112.272 178.432 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 97' ' ' VAL . . . . . . . . . . . . . 9.9 p -136.09 137.65 48.3 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.334 0 N-CA-C 109.323 -0.621 . . . . 0.0 109.323 174.724 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 98' ' ' LYS . . . . . . . . . . . . . 35.8 mmtp -120.07 14.32 12.27 Favored 'General case' 0 CA--C 1.529 0.154 0 C-N-CA 123.209 0.603 . . . . 0.0 111.955 -177.934 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 99' ' ' ARG . . . . . . . . . . . . . 39.1 ptt180 -141.6 169.57 17.35 Favored 'General case' 0 N--CA 1.454 -0.263 0 C-N-CA 123.66 0.784 . . . . 0.0 110.66 -178.865 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 57.9 m -70.33 -12.42 61.57 Favored 'General case' 0 N--CA 1.456 -0.15 0 C-N-CA 122.579 0.351 . . . . 0.0 111.497 178.249 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 101' ' ' ALA . . . . . . . . . . . . . . . 52.7 12.0 0.23 Allowed 'General case' 0 CA--C 1.533 0.307 0 C-N-CA 124.683 1.193 . . . . 0.0 113.08 -175.66 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -146.92 8.42 0.96 Allowed 'General case' 0 CA--C 1.533 0.289 0 C-N-CA 123.679 0.792 . . . . 0.0 111.195 -179.151 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 12.0 pt-20 -78.17 -1.92 35.07 Favored 'General case' 0 CA--C 1.53 0.199 0 C-N-CA 123.234 0.614 . . . . 0.0 112.229 -177.228 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 104' ' ' MET . . . . . . . . . . . . . 24.7 ptp -125.81 8.49 7.51 Favored 'General case' 0 N--CA 1.453 -0.307 0 C-N-CA 123.372 0.669 . . . . 0.0 112.267 -178.65 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 105' ' ' TYR . . . . . . . . . . . . . 35.6 m-85 -126.06 -7.03 6.59 Favored 'General case' 0 CA--C 1.53 0.193 0 C-N-CA 122.961 0.504 . . . . 0.0 111.095 178.94 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 106' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.526 0.721 0 N-CA-C 111.267 -0.733 . . . . 0.0 111.267 179.716 . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' B' B ' 1' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.423 -2.5 1 O4'-C1'-N19 112.775 4.575 . 0.0 '__' . 0.0 . . . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 2' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.422 -2.623 0 O4'-C1'-N19 111.786 3.586 . 0.199 4b . 0.0 . . . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' B' B ' 3' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.421 -2.68 0 C5'-C4'-C3' 111.441 -2.706 . 0.479 0b . 0.0 . . . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' B' B ' 4' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.42 -2.725 0 O4'-C1'-N19 112.132 3.932 . 0.062 4b . 0.0 . . . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' B' B ' 5' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.415 -3.148 1 O4'-C1'-N19 112.575 4.375 . 0.548 2h . 0.0 . . . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.475 0.811 0 CA-C-O 120.565 0.222 . . . . 0.0 110.91 . . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 38.4 t -66.73 159.51 27.71 Favored 'General case' 0 N--CA 1.462 0.128 0 C-N-CA 122.614 0.366 . . . . 0.0 110.652 179.099 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 4' ' ' ASN . . . . . . . . . . . . . 3.0 p-10 -89.6 2.1 55.12 Favored 'General case' 0 CA--C 1.53 0.207 0 C-N-CA 123.104 0.562 . . . . 0.0 111.112 179.259 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 99.2 t -97.22 136.46 27.92 Favored 'Isoleucine or valine' 0 C--O 1.232 0.144 0 C-N-CA 123.101 0.561 . . . . 0.0 111.136 -176.933 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 46.2 p -146.35 3.43 0.89 Allowed 'General case' 0 C--O 1.227 -0.112 0 C-N-CA 123.497 0.719 . . . . 0.0 112.028 -179.744 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 7' ' ' ASN . . . . . . . . . . . . . 62.4 t-20 -100.43 108.34 20.31 Favored 'General case' 0 N--CA 1.455 -0.197 0 CA-C-N 119.251 0.932 . . . . 0.0 110.514 -178.33 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 68.8 mttm -145.17 156.47 43.89 Favored 'General case' 0 N--CA 1.461 0.092 0 C-N-CA 124.718 1.207 . . . . 0.0 108.998 179.452 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 64.7 p -133.02 18.57 4.11 Favored 'General case' 0 C--N 1.333 -0.15 0 N-CA-C 112.352 0.501 . . . . 0.0 112.352 -176.307 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 9.6 m-20 -78.16 159.42 75.54 Favored Pre-proline 0 N--CA 1.456 -0.17 0 O-C-N 122.165 -0.334 . . . . 0.0 111.061 -179.891 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 11' ' ' PRO . . . . . . . . . . . . . 49.3 Cg_exo -58.95 -9.11 7.09 Favored 'Trans proline' 0 N--CA 1.457 -0.656 0 C-N-CA 124.442 3.428 . . . . 0.0 114.442 -173.983 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 95.6 mtt180 -128.69 -36.92 1.8 Allowed 'General case' 0 CA--C 1.519 -0.24 0 C-N-CA 122.883 0.473 . . . . 0.0 110.585 176.359 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 19.5 m -67.17 -13.18 61.71 Favored 'General case' 0 N--CA 1.455 -0.221 0 CA-C-O 119.141 -0.456 . . . . 0.0 112.122 -176.806 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 14' ' ' MET . . . . . . . . . . . . . 9.6 ptm -108.44 0.76 21.23 Favored 'General case' 0 CA--C 1.531 0.247 0 CA-C-N 118.873 0.761 . . . . 0.0 112.567 174.509 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 72.6 m-80 -109.71 -21.42 12.41 Favored 'General case' 0 CA--C 1.528 0.11 0 C-N-CA 123.004 0.522 . . . . 0.0 110.034 176.153 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 93.6 p -83.67 -1.75 54.69 Favored 'General case' 0 N--CA 1.456 -0.171 0 C-N-CA 123.331 0.652 . . . . 0.0 110.469 170.955 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 30.6 ttp-105 -93.12 150.07 20.78 Favored 'General case' 0 N--CA 1.452 -0.353 0 N-CA-C 109.623 -0.51 . . . . 0.0 109.623 176.315 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 94.5 t -125.82 128.84 72.41 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.435 0 C-N-CA 123.117 0.567 . . . . 0.0 109.567 178.228 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 27.8 t80 -89.03 133.74 34.23 Favored 'General case' 0 N--CA 1.449 -0.49 0 CA-C-N 115.174 -0.921 . . . . 0.0 108.985 175.76 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 63.0 mt -121.09 84.42 0.85 Allowed 'Isoleucine or valine' 0 N--CA 1.454 -0.227 0 N-CA-C 107.823 -1.177 . . . . 0.0 107.823 -179.335 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -83.99 173.76 50.72 Favored Glycine 0 CA--C 1.523 0.555 0 N-CA-C 110.912 -0.875 . . . . 0.0 110.912 178.497 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 58.3 t30 48.73 47.91 20.53 Favored 'General case' 0 CA--C 1.532 0.268 0 C-N-CA 123.433 0.693 . . . . 0.0 110.693 -178.571 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 57.3 tp -99.03 144.85 27.71 Favored 'General case' 0 CA--C 1.531 0.24 0 N-CA-C 109.285 -0.635 . . . . 0.0 109.285 179.842 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 63.6 t30 -68.71 -37.51 79.56 Favored 'General case' 0 CA--C 1.53 0.204 0 O-C-N 122.104 -0.373 . . . . 0.0 111.166 -177.315 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 48.7 p 51.44 8.12 0.05 OUTLIER 'General case' 0 N--CA 1.465 0.29 0 C-N-CA 126.415 1.886 . . . . 0.0 115.237 179.326 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 6.7 mp -101.4 -14.95 17.36 Favored 'General case' 0 CA--C 1.53 0.206 0 C-N-CA 123.439 0.696 . . . . 0.0 111.288 176.668 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 61.8 t -126.78 -23.65 1.71 Allowed 'Isoleucine or valine' 0 C--O 1.231 0.079 0 C-N-CA 122.833 0.453 . . . . 0.0 110.571 179.423 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 61.0 t -103.4 146.06 11.64 Favored 'Isoleucine or valine' 0 N--CA 1.462 0.175 0 N-CA-C 110.146 -0.316 . . . . 0.0 110.146 178.976 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 8.1 mptt -135.28 171.62 14.17 Favored 'General case' 0 C--N 1.338 0.098 0 C-N-CA 123.449 0.7 . . . . 0.0 110.297 -178.678 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 10.5 ptmt -67.07 -4.39 9.83 Favored 'General case' 0 CA--C 1.528 0.113 0 C-N-CA 123.926 0.891 . . . . 0.0 112.255 -179.95 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 60.3 p -97.21 -11.95 23.6 Favored 'General case' 0 CA--C 1.528 0.118 0 C-N-CA 123.728 0.811 . . . . 0.0 111.081 174.616 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 42.9 m-20 -103.1 -34.41 8.88 Favored 'General case' 0 N--CA 1.453 -0.294 0 C-N-CA 124.298 1.039 . . . . 0.0 111.227 179.7 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 90.5 t -65.38 -31.27 53.13 Favored 'Isoleucine or valine' 0 N--CA 1.456 -0.161 0 N-CA-C 109.325 -0.62 . . . . 0.0 109.325 -179.926 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 25.2 pt-20 -78.54 7.32 6.91 Favored 'General case' 0 CA--C 1.531 0.212 0 N-CA-C 111.89 0.33 . . . . 0.0 111.89 177.656 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -126.34 -7.33 6.42 Favored 'General case' 0 N--CA 1.454 -0.234 0 C-N-CA 123.045 0.538 . . . . 0.0 110.963 176.565 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 76.8 mt -108.58 -26.31 3.3 Favored 'Isoleucine or valine' 0 C--N 1.339 0.128 0 C-N-CA 123.221 0.608 . . . . 0.0 110.793 178.406 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 37' ' ' PHE . . . . . . . . . . . . . 60.9 m-85 -104.86 -8.4 18.72 Favored 'General case' 0 N--CA 1.454 -0.256 0 C-N-CA 122.449 0.299 . . . . 0.0 110.726 -179.858 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 73.4 p -72.57 -14.06 61.54 Favored 'General case' 0 CA--C 1.527 0.063 0 C-N-CA 122.562 0.345 . . . . 0.0 111.298 -179.025 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 13.4 ptmm? -80.94 -11.71 59.52 Favored 'General case' 0 CA--C 1.531 0.238 0 C-N-CA 123.567 0.747 . . . . 0.0 112.343 179.253 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 40' ' ' TYR . . . . . . . . . . . . . 65.9 m-85 -107.22 -16.05 14.5 Favored 'General case' 0 C--N 1.338 0.106 0 C-N-CA 122.172 0.189 . . . . 0.0 111.33 178.721 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -174.9 160.89 30.14 Favored Glycine 0 C--N 1.336 0.53 0 N-CA-C 111.966 -0.454 . . . . 0.0 111.966 175.45 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 77.1 tttt -71.44 115.12 10.24 Favored 'General case' 0 N--CA 1.45 -0.452 0 N-CA-C 108.804 -0.813 . . . . 0.0 108.804 177.612 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 43' ' ' ILE . . . . . . . . . . . . . 76.1 mt -84.56 126.71 40.25 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.344 0 N-CA-C 109.856 -0.424 . . . . 0.0 109.856 -178.616 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 33.9 m -104.05 -7.08 9.54 Favored 'Isoleucine or valine' 0 N--CA 1.458 -0.054 0 C-N-CA 123.191 0.596 . . . . 0.0 110.9 178.701 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . -172.92 147.5 9.77 Favored Glycine 0 C--N 1.335 0.514 0 N-CA-C 110.191 -1.164 . . . . 0.0 110.191 177.422 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 46' ' ' CYS . . . . . . . . . . . . . 51.7 t -151.9 146.26 25.51 Favored 'General case' 0 N--CA 1.45 -0.438 0 O-C-N 122.418 -0.46 . . . . 0.0 110.108 -179.64 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 22.7 t -153.5 149.35 27.62 Favored 'General case' 0 N--CA 1.451 -0.392 0 N-CA-C 109.806 -0.442 . . . . 0.0 109.806 176.39 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 48' ' ' VAL . . . . . . . . . . . . . 91.6 t -124.21 146.66 29.35 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.26 0 N-CA-C 109.006 -0.738 . . . . 0.0 109.006 178.119 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 49' ' ' HIS . . . . . . . . . . . . . 50.8 m-70 -131.77 -166.2 1.69 Allowed 'General case' 0 N--CA 1.452 -0.373 0 N-CA-C 108.014 -1.106 . . . . 0.0 108.014 -176.383 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 65.4 mttp -88.64 118.17 28.12 Favored 'General case' 0 N--CA 1.455 -0.224 0 N-CA-C 109.661 -0.496 . . . . 0.0 109.661 176.433 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 80.79 -7.8 57.83 Favored Glycine 0 CA--C 1.528 0.897 0 CA-C-O 119.094 -0.837 . . . . 0.0 113.9 178.283 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 52.0 p90 -154.15 170.22 21.7 Favored 'General case' 0 CA--C 1.531 0.231 0 CA-C-N 118.925 1.363 . . . . 0.0 111.375 179.076 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -149.13 172.58 14.56 Favored 'General case' 0 N--CA 1.453 -0.276 0 C-N-CA 123.556 0.743 . . . . 0.0 110.37 177.474 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 54' ' ' PHE . . . . . . . . . . . . . 11.5 m-85 -140.06 145.3 37.51 Favored 'General case' 0 N--CA 1.455 -0.211 0 C-N-CA 123.529 0.731 . . . . 0.0 110.456 179.617 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 96.2 t -136.43 138.23 46.99 Favored 'Isoleucine or valine' 0 CA--C 1.519 -0.237 0 C-N-CA 123.759 0.823 . . . . 0.0 108.787 178.622 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 56' ' ' GLN . . . . . . . . . . . . . 58.3 tp60 -117.79 130.51 56.33 Favored 'General case' 0 N--CA 1.453 -0.283 0 N-CA-C 109.576 -0.527 . . . . 0.0 109.576 -176.747 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 57' ' ' TYR . . . . . 0.479 ' HH ' ' CB ' ' A' ' 66' ' ' ALA . 42.8 m-85 -111.75 178.4 4.33 Favored 'General case' 0 N--CA 1.457 -0.123 0 C-N-CA 123.196 0.598 . . . . 0.0 110.687 178.855 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 58' ' ' VAL . . . . . . . . . . . . . 73.3 t -74.8 -31.51 26.33 Favored 'Isoleucine or valine' 0 N--CA 1.456 -0.149 0 CA-C-N 116.479 -0.328 . . . . 0.0 110.643 178.537 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 59' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -154.82 170.59 21.3 Favored 'General case' 0 CA--C 1.53 0.203 0 N-CA-C 112.411 0.523 . . . . 0.0 112.411 178.528 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 71.0 tt0 -60.9 -29.68 69.73 Favored 'General case' 0 CA--C 1.529 0.167 0 C-N-CA 123.021 0.528 . . . . 0.0 111.975 -177.366 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 20.3 tpp85 -60.17 -38.14 82.32 Favored 'General case' 0 C--N 1.339 0.14 0 CA-C-N 118.868 0.758 . . . . 0.0 110.082 -179.873 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 62' ' ' ASN . . . . . . . . . . . . . 19.5 m120 -71.41 -25.81 62.5 Favored 'General case' 0 N--CA 1.45 -0.45 0 O-C-N 122.11 -0.369 . . . . 0.0 110.789 179.113 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -76.28 -36.41 58.42 Favored 'General case' 0 N--CA 1.45 -0.431 0 N-CA-C 110.127 -0.323 . . . . 0.0 110.127 178.521 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 64' ' ' ARG . . . . . . . . . . . . . 28.5 mmt180 -66.86 -28.75 68.59 Favored 'General case' 0 C--O 1.227 -0.088 0 N-CA-C 110.253 -0.277 . . . . 0.0 110.253 177.838 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -78.37 -33.24 49.05 Favored 'General case' 0 N--CA 1.453 -0.278 0 O-C-N 122.525 -0.11 . . . . 0.0 110.899 -178.818 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 66' ' ' ALA . . . . . 0.479 ' CB ' ' HH ' ' A' ' 57' ' ' TYR . . . -83.41 -34.94 25.39 Favored 'General case' 0 N--CA 1.454 -0.226 0 O-C-N 122.226 -0.296 . . . . 0.0 111.635 179.908 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 67' ' ' VAL . . . . . . . . . . . . . 53.0 t -65.25 -32.51 58.58 Favored 'Isoleucine or valine' 0 C--O 1.227 -0.105 0 N-CA-C 109.774 -0.454 . . . . 0.0 109.774 175.631 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -92.91 -10.38 36.74 Favored 'General case' 0 N--CA 1.453 -0.289 0 N-CA-C 112.277 0.473 . . . . 0.0 112.277 178.13 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . -101.86 -13.58 31.54 Favored Glycine 0 CA--C 1.532 1.094 0 CA-C-O 119.346 -0.697 . . . . 0.0 113.738 -177.485 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 47.5 mm-40 -133.79 -19.58 2.05 Favored 'General case' 0 CA--C 1.53 0.177 0 CA-C-N 118.666 1.233 . . . . 0.0 112.597 -174.275 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 20.6 t70 -61.49 118.16 6.64 Favored 'General case' 0 N--CA 1.453 -0.312 0 O-C-N 121.181 -0.949 . . . . 0.0 110.113 178.305 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . 86.78 10.83 71.9 Favored Glycine 0 C--N 1.336 0.533 0 N-CA-C 110.957 -0.857 . . . . 0.0 110.957 178.97 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 73' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -75.93 169.8 17.47 Favored 'General case' 0 N--CA 1.45 -0.465 0 N-CA-C 106.276 -1.75 . . . . 0.0 106.276 171.266 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 74' ' ' MET . . . . . . . . . . . . . 33.2 ttm -114.92 120.75 40.99 Favored 'General case' 0 N--CA 1.45 -0.464 0 N-CA-C 109.403 -0.591 . . . . 0.0 109.403 -177.276 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 75' ' ' ILE . . . . . . . . . . . . . 0.2 OUTLIER -128.49 136.03 61.01 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.277 0 N-CA-C 109.645 -0.502 . . . . 0.0 109.645 179.453 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . 54.47 17.78 1.72 Allowed 'General case' 0 CA--C 1.533 0.318 0 C-N-CA 123.129 0.572 . . . . 0.0 112.185 -174.024 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 88.88 4.31 75.57 Favored Glycine 0 CA--C 1.527 0.79 0 CA-C-O 119.816 -0.436 . . . . 0.0 112.232 -179.009 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 78' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -123.98 131.59 53.59 Favored 'General case' 0 N--CA 1.452 -0.331 0 CA-C-N 117.694 0.747 . . . . 0.0 110.418 -179.357 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 79' ' ' VAL . . . . . . . . . . . . . 48.5 t -63.93 141.41 18.21 Favored 'Isoleucine or valine' 0 C--O 1.23 0.042 0 C-N-CA 124.038 0.935 . . . . 0.0 110.462 -178.901 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 29.5 mt -95.68 156.35 16.36 Favored 'General case' 0 N--CA 1.454 -0.268 0 CA-C-O 120.926 0.394 . . . . 0.0 111.587 177.143 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 81' ' ' ASP . . . . . . . . . . . . . 4.3 m-20 -123.4 98.24 5.77 Favored 'General case' 0 N--CA 1.456 -0.139 0 N-CA-C 107.875 -1.157 . . . . 0.0 107.875 176.497 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 82' ' ' ILE . . . . . . . . . . . . . 64.6 mt -113.69 139.76 37.55 Favored 'Isoleucine or valine' 0 CA--C 1.53 0.177 0 C-N-CA 123.087 0.555 . . . . 0.0 110.556 -170.056 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 83' ' ' ASN . . . . . . . . . . . . . 11.2 t30 -157.66 165.67 34.85 Favored 'General case' 0 N--CA 1.456 -0.139 0 C-N-CA 123.329 0.652 . . . . 0.0 109.541 -175.991 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 84' ' ' LEU . . . . . . . . . . . . . 97.7 mt -63.02 151.5 39.61 Favored 'General case' 0 N--CA 1.456 -0.163 0 N-CA-C 109.436 -0.579 . . . . 0.0 109.436 173.208 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . -76.43 2.15 14.45 Favored 'General case' 0 CA--C 1.533 0.312 0 N-CA-C 113.037 0.754 . . . . 0.0 113.037 -178.375 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . -134.08 4.37 3.5 Favored 'General case' 0 C--O 1.232 0.134 0 N-CA-C 112.692 0.627 . . . . 0.0 112.692 -176.603 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 80.9 mm-40 -136.17 52.97 7.07 Favored Pre-proline 0 CA--C 1.531 0.241 0 CA-C-N 118.116 0.416 . . . . 0.0 111.735 -176.389 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 88' ' ' PRO . . . . . . . . . . . . . 57.7 Cg_endo -63.3 145.24 92.81 Favored 'Trans proline' 0 N--CA 1.453 -0.874 0 C-N-CA 122.471 2.114 . . . . 0.0 108.384 178.236 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 89' ' ' LYS . . . . . 0.549 ' HG3' ' H ' ' A' ' 90' ' ' VAL . 5.4 ptpp? -141.74 -70.93 0.35 Allowed 'General case' 0 CA--C 1.529 0.138 0 N-CA-C 114.275 1.213 . . . . 0.0 114.275 -169.645 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 90' ' ' VAL . . . . . 0.549 ' H ' ' HG3' ' A' ' 89' ' ' LYS . 7.0 m -139.34 -24.04 0.35 Allowed 'Isoleucine or valine' 0 C--N 1.334 -0.075 0 N-CA-C 112.626 0.602 . . . . 0.0 112.626 -173.213 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 91' ' ' ASN . . . . . . . . . . . . . 2.7 p30 -94.09 20.4 7.99 Favored 'General case' 0 C--N 1.33 -0.25 0 C-N-CA 123.367 0.667 . . . . 0.0 112.123 -176.64 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 92' ' ' ARG . . . . . . . . . . . . . 66.1 ttp85 -108.11 127.03 53.45 Favored 'General case' 0 N--CA 1.453 -0.295 0 N-CA-C 108.063 -1.088 . . . . 0.0 108.063 174.031 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . -158.84 -141.48 3.15 Favored Glycine 0 CA--C 1.52 0.395 0 N-CA-C 109.955 -1.258 . . . . 0.0 109.955 -177.571 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 59.5 tptt -136.65 -18.76 1.41 Allowed 'General case' 0 N--CA 1.453 -0.316 0 N-CA-C 111.915 0.339 . . . . 0.0 111.915 -178.412 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . -146.95 -178.6 6.28 Favored 'General case' 0 N--CA 1.451 -0.386 0 C-N-CA 122.918 0.487 . . . . 0.0 110.776 -174.919 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . -68.59 -4.63 40.04 Favored Glycine 0 CA--C 1.529 0.929 0 CA-C-O 119.779 -0.456 . . . . 0.0 112.247 179.307 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 97' ' ' VAL . . . . . 0.4 HG13 ' H ' ' A' ' 99' ' ' ARG . 65.5 t -74.97 138.77 20.33 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.288 0 CA-C-N 117.694 0.747 . . . . 0.0 109.398 178.015 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 98' ' ' LYS . . . . . . . . . . . . . 74.5 mmtt -121.58 20.32 11.09 Favored 'General case' 0 CA--C 1.53 0.188 0 C-N-CA 123.204 0.602 . . . . 0.0 111.499 -175.692 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 99' ' ' ARG . . . . . 0.4 ' H ' HG13 ' A' ' 97' ' ' VAL . 90.1 mtt180 -113.96 173.12 6.59 Favored 'General case' 0 N--CA 1.457 -0.124 0 C-N-CA 124.023 0.929 . . . . 0.0 111.061 -179.474 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 6.3 t -67.17 -11.89 58.55 Favored 'General case' 0 N--CA 1.454 -0.263 0 C-N-CA 123.493 0.717 . . . . 0.0 111.754 -178.004 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 101' ' ' ALA . . . . . . . . . . . . . . . 56.86 10.01 0.69 Allowed 'General case' 0 CA--C 1.534 0.347 0 C-N-CA 124.363 1.065 . . . . 0.0 112.53 -174.654 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -146.22 3.82 0.92 Allowed 'General case' 0 CA--C 1.532 0.255 0 C-N-CA 123.8 0.84 . . . . 0.0 111.293 178.496 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 12.8 pt-20 -83.68 -3.71 57.99 Favored 'General case' 0 C--N 1.34 0.186 0 C-N-CA 122.622 0.369 . . . . 0.0 111.563 -177.907 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 104' ' ' MET . . . . . . . . . . . . . 73.9 mtm -110.84 9.66 22.49 Favored 'General case' 0 CA--C 1.531 0.238 0 C-N-CA 123.836 0.855 . . . . 0.0 111.481 -178.744 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 105' ' ' TYR . . . . . . . . . . . . . 65.0 m-85 -127.66 3.93 6.12 Favored 'General case' 0 C--O 1.232 0.134 0 C-N-CA 122.84 0.456 . . . . 0.0 111.461 -177.598 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 106' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--N 1.338 0.682 0 N-CA-C 111.253 -0.739 . . . . 0.0 111.253 179.885 . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' B' B ' 1' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.42 -2.751 2 C5'-C4'-C3' 108.807 -4.462 . 0.0 '__' . 0.0 . . . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 2' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.421 -2.684 1 O4'-C1'-N19 112.344 4.144 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' B' B ' 3' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.421 -2.683 0 C5'-C4'-C3' 111.797 -2.469 . 0.305 0b . 0.0 . . . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' B' B ' 4' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.423 -2.503 1 O4'-C1'-N19 112.576 4.376 . 0.19 4b . 0.0 . . . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 5' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.416 -3.125 1 O4'-C1'-N19 113.127 4.927 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.474 0.748 0 N-CA-C 110.966 -0.013 . . . . 0.0 110.966 . . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 50.2 m -65.4 159.81 23.34 Favored 'General case' 0 CA--C 1.527 0.065 0 C-N-CA 122.81 0.444 . . . . 0.0 110.789 -179.967 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 4' ' ' ASN . . . . . . . . . . . . . 61.9 t30 -90.28 0.08 57.39 Favored 'General case' 0 CA--C 1.533 0.323 0 C-N-CA 122.42 0.288 . . . . 0.0 111.279 -179.063 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 97.0 t -93.71 134.3 31.85 Favored 'Isoleucine or valine' 0 N--CA 1.456 -0.16 0 O-C-N 122.115 -0.365 . . . . 0.0 111.489 -175.5 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 72.2 p -150.84 6.02 0.51 Allowed 'General case' 0 CA--C 1.533 0.322 0 C-N-CA 123.64 0.776 . . . . 0.0 111.959 -177.43 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 7' ' ' ASN . . . . . . . . . . . . . 42.2 p30 -102.67 22.26 13.97 Favored 'General case' 0 C--O 1.231 0.116 0 N-CA-C 114.087 1.143 . . . . 0.0 114.087 -173.216 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 54.4 mtmt -67.52 148.31 51.65 Favored 'General case' 0 N--CA 1.457 -0.111 0 CA-C-N 118.229 0.468 . . . . 0.0 110.177 177.179 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 74.6 p -123.75 21.53 9.17 Favored 'General case' 0 N--CA 1.463 0.216 0 N-CA-C 112.725 0.639 . . . . 0.0 112.725 -172.937 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 12.4 m-20 -68.99 157.78 88.21 Favored Pre-proline 0 N--CA 1.456 -0.155 0 O-C-N 122.046 -0.409 . . . . 0.0 110.709 179.355 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 11' ' ' PRO . . . . . . . . . . . . . 31.4 Cg_exo -61.67 -0.6 1.58 Allowed 'Trans proline' 0 N--CA 1.456 -0.721 0 C-N-CA 124.046 3.164 . . . . 0.0 114.289 -174.911 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 0.7 OUTLIER -137.67 -26.08 0.98 Allowed 'General case' 0 N--CA 1.455 -0.187 0 CA-C-N 118.365 0.53 . . . . 0.0 110.89 -179.48 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 94.2 p -74.45 -27.86 60.79 Favored 'General case' 0 N--CA 1.457 -0.085 0 O-C-N 121.718 -0.614 . . . . 0.0 110.886 -179.183 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 14' ' ' MET . . . . . . . . . . . . . 18.1 ptm -86.05 3.08 43.96 Favored 'General case' 0 N--CA 1.455 -0.206 0 C-N-CA 120.603 -0.439 . . . . 0.0 112.094 176.07 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 50.2 m-80 -110.44 -25.23 10.16 Favored 'General case' 0 CA--C 1.531 0.218 0 C-N-CA 122.913 0.485 . . . . 0.0 110.186 175.139 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 86.9 p -84.0 1.2 44.88 Favored 'General case' 0 N--CA 1.454 -0.239 0 C-N-CA 122.622 0.369 . . . . 0.0 110.663 169.731 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 30.3 ttp-105 -95.97 150.31 20.6 Favored 'General case' 0 N--CA 1.455 -0.196 0 C-N-CA 123.152 0.581 . . . . 0.0 109.852 175.48 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 64.7 t -124.87 129.24 73.54 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.438 0 C-N-CA 123.119 0.567 . . . . 0.0 109.763 178.388 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 29.0 t80 -90.11 132.61 35.34 Favored 'General case' 0 N--CA 1.449 -0.482 0 N-CA-C 108.914 -0.772 . . . . 0.0 108.914 174.806 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 58.1 mt -120.84 83.46 0.79 Allowed 'Isoleucine or valine' 0 CA--C 1.52 -0.183 0 N-CA-C 107.667 -1.234 . . . . 0.0 107.667 -179.521 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -84.24 176.48 51.61 Favored Glycine 0 N--CA 1.448 -0.557 0 N-CA-C 110.423 -1.071 . . . . 0.0 110.423 178.165 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 49.1 t30 48.9 50.54 17.51 Favored 'General case' 0 N--CA 1.453 -0.323 0 N-CA-C 110.039 -0.356 . . . . 0.0 110.039 -177.692 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 50.0 tp -102.05 143.3 32.06 Favored 'General case' 0 N--CA 1.454 -0.243 0 N-CA-C 109.851 -0.426 . . . . 0.0 109.851 179.852 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 24' ' ' ASN . . . . . 0.414 ' C ' ' H ' ' A' ' 26' ' ' LEU . 64.1 t30 -70.77 -37.53 73.36 Favored 'General case' 0 C--N 1.34 0.177 0 CA-C-N 117.742 0.246 . . . . 0.0 111.653 -178.061 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 24.1 p 54.1 -2.66 0.02 OUTLIER 'General case' 0 N--CA 1.468 0.425 0 C-N-CA 127.22 2.208 . . . . 0.0 115.472 179.898 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 26' ' ' LEU . . . . . 0.414 ' H ' ' C ' ' A' ' 24' ' ' ASN . 7.3 mp -90.29 -15.99 30.16 Favored 'General case' 0 N--CA 1.453 -0.292 0 C-N-CA 123.143 0.577 . . . . 0.0 111.492 177.996 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 57.1 t -127.36 -17.66 2.64 Favored 'Isoleucine or valine' 0 CA--C 1.53 0.177 0 C-N-CA 122.667 0.387 . . . . 0.0 110.567 179.194 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 49.8 t -115.3 132.22 65.27 Favored 'Isoleucine or valine' 0 CA--C 1.521 -0.152 0 C-N-CA 122.2 0.2 . . . . 0.0 110.679 178.67 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 73.9 mmtt -123.08 176.72 5.89 Favored 'General case' 0 CA--C 1.52 -0.21 0 C-N-CA 124.018 0.927 . . . . 0.0 110.99 -176.564 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 5.3 ptmm? -69.89 -6.0 29.78 Favored 'General case' 0 N--CA 1.461 0.108 0 CA-C-N 115.207 -0.906 . . . . 0.0 111.866 -179.703 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 39.1 m -101.51 1.0 37.61 Favored 'General case' 0 N--CA 1.455 -0.176 0 C-N-CA 123.856 0.862 . . . . 0.0 110.382 174.67 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 20.8 m-20 -116.6 -32.51 5.17 Favored 'General case' 0 N--CA 1.449 -0.484 0 C-N-CA 123.769 0.828 . . . . 0.0 110.548 179.607 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 70.7 t -64.93 -31.8 55.47 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.195 0 N-CA-C 108.832 -0.803 . . . . 0.0 108.832 177.753 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 25.6 pt-20 -79.66 9.89 4.59 Favored 'General case' 0 CA--C 1.531 0.225 0 N-CA-C 111.858 0.318 . . . . 0.0 111.858 178.063 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -128.06 -7.92 5.42 Favored 'General case' 0 CA--C 1.531 0.239 0 C-N-CA 123.574 0.75 . . . . 0.0 110.891 176.406 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 75.2 mt -109.38 -26.15 3.33 Favored 'Isoleucine or valine' 0 C--N 1.338 0.107 0 C-N-CA 123.236 0.614 . . . . 0.0 110.332 178.642 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 37' ' ' PHE . . . . . . . . . . . . . 59.9 m-85 -104.1 -8.01 19.8 Favored 'General case' 0 N--CA 1.452 -0.34 0 C-N-CA 122.597 0.359 . . . . 0.0 110.865 179.661 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 67.6 p -73.12 -14.71 61.43 Favored 'General case' 0 C--O 1.231 0.113 0 C-N-CA 122.577 0.351 . . . . 0.0 111.462 -179.281 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 13.3 ptmm? -80.08 -11.71 59.74 Favored 'General case' 0 CA--C 1.528 0.12 0 C-N-CA 123.294 0.637 . . . . 0.0 112.231 179.058 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 40' ' ' TYR . . . . . . . . . . . . . 64.5 m-85 -106.98 -16.0 14.55 Favored 'General case' 0 C--O 1.231 0.081 0 C-N-CA 122.564 0.346 . . . . 0.0 111.725 178.447 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -175.26 162.75 32.46 Favored Glycine 0 CA--C 1.525 0.701 0 N-CA-C 112.111 -0.395 . . . . 0.0 112.111 175.073 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 77.1 tttt -73.16 114.5 11.41 Favored 'General case' 0 N--CA 1.454 -0.262 0 N-CA-C 108.832 -0.803 . . . . 0.0 108.832 177.373 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 43' ' ' ILE . . . . . . . . . . . . . 76.1 mt -83.88 127.97 39.27 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.192 0 N-CA-C 109.577 -0.527 . . . . 0.0 109.577 -178.651 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 33.4 m -106.56 -5.41 10.13 Favored 'Isoleucine or valine' 0 C--O 1.232 0.154 0 C-N-CA 123.215 0.606 . . . . 0.0 110.684 178.759 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . -170.51 146.23 9.64 Favored Glycine 0 C--N 1.337 0.617 0 N-CA-C 110.019 -1.232 . . . . 0.0 110.019 176.995 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 46' ' ' CYS . . . . . . . . . . . . . 43.3 t -149.7 143.36 25.42 Favored 'General case' 0 N--CA 1.451 -0.386 0 CA-C-N 117.133 0.466 . . . . 0.0 109.759 -179.706 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 96.2 p -151.13 148.17 27.95 Favored 'General case' 0 N--CA 1.45 -0.469 0 N-CA-C 109.902 -0.407 . . . . 0.0 109.902 177.441 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 48' ' ' VAL . . . . . . . . . . . . . 87.5 t -125.15 147.05 29.88 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.241 0 N-CA-C 109.165 -0.68 . . . . 0.0 109.165 175.623 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 49' ' ' HIS . . . . . . . . . . . . . 46.5 m-70 -135.34 -170.53 2.61 Favored 'General case' 0 N--CA 1.452 -0.329 0 N-CA-C 108.107 -1.072 . . . . 0.0 108.107 -176.441 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 50' ' ' LYS . . . . . 0.465 ' HD2' ' H ' ' A' ' 50' ' ' LYS . 0.0 OUTLIER -83.12 120.41 25.73 Favored 'General case' 0 N--CA 1.454 -0.252 0 O-C-N 121.822 -0.549 . . . . 0.0 110.005 177.475 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 77.44 -8.75 31.8 Favored Glycine 0 CA--C 1.531 1.052 0 CA-C-O 119.235 -0.758 . . . . 0.0 113.685 177.766 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 55.6 p90 -150.96 167.43 27.62 Favored 'General case' 0 CA--C 1.528 0.121 0 CA-C-N 119.001 1.401 . . . . 0.0 111.438 179.344 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -146.27 171.42 14.99 Favored 'General case' 0 CA--C 1.53 0.193 0 C-N-CA 123.65 0.78 . . . . 0.0 110.286 175.911 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 54' ' ' PHE . . . . . . . . . . . . . 15.0 m-85 -138.71 144.82 39.71 Favored 'General case' 0 N--CA 1.455 -0.212 0 C-N-CA 123.434 0.694 . . . . 0.0 110.586 179.725 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 97.5 t -135.72 136.73 50.07 Favored 'Isoleucine or valine' 0 CA--C 1.518 -0.25 0 C-N-CA 123.644 0.778 . . . . 0.0 109.11 178.664 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 56' ' ' GLN . . . . . . . . . . . . . 59.3 tp60 -116.42 129.98 56.52 Favored 'General case' 0 N--CA 1.451 -0.396 0 C-N-CA 122.822 0.449 . . . . 0.0 109.884 -176.739 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 57' ' ' TYR . . . . . 0.425 ' HH ' ' CB ' ' A' ' 66' ' ' ALA . 48.0 m-85 -111.62 175.96 5.21 Favored 'General case' 0 C--O 1.232 0.143 0 C-N-CA 122.963 0.505 . . . . 0.0 110.882 178.887 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 58' ' ' VAL . . . . . . . . . . . . . 77.6 t -73.08 -30.41 31.6 Favored 'Isoleucine or valine' 0 CA--C 1.529 0.16 0 CA-C-N 116.026 -0.534 . . . . 0.0 110.309 178.797 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 59' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -157.19 169.35 24.97 Favored 'General case' 0 N--CA 1.456 -0.141 0 N-CA-C 112.202 0.445 . . . . 0.0 112.202 178.053 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 66.4 tt0 -59.64 -29.89 68.34 Favored 'General case' 0 N--CA 1.457 -0.106 0 C-N-CA 123.579 0.752 . . . . 0.0 112.438 -177.902 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 25.5 tpt180 -59.12 -40.13 84.46 Favored 'General case' 0 C--N 1.339 0.131 0 CA-C-N 118.957 0.798 . . . . 0.0 110.101 179.729 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 62' ' ' ASN . . . . . . . . . . . . . 17.6 m120 -71.88 -25.5 61.96 Favored 'General case' 0 N--CA 1.449 -0.481 0 O-C-N 122.145 -0.347 . . . . 0.0 110.861 -179.891 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -78.33 -36.3 46.5 Favored 'General case' 0 N--CA 1.454 -0.252 0 N-CA-C 110.379 -0.23 . . . . 0.0 110.379 179.08 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 64' ' ' ARG . . . . . . . . . . . . . 41.0 mmt180 -67.68 -26.84 66.39 Favored 'General case' 0 CA--C 1.523 -0.065 0 C-N-CA 122.518 0.327 . . . . 0.0 110.175 176.907 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -79.19 -33.12 44.19 Favored 'General case' 0 N--CA 1.452 -0.342 0 N-CA-C 110.719 -0.104 . . . . 0.0 110.719 -179.738 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 66' ' ' ALA . . . . . 0.425 ' CB ' ' HH ' ' A' ' 57' ' ' TYR . . . -81.78 -34.78 30.19 Favored 'General case' 0 N--CA 1.451 -0.405 0 CA-C-N 117.765 0.257 . . . . 0.0 111.509 179.46 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 67' ' ' VAL . . . . . . . . . . . . . 47.7 t -64.84 -34.59 71.27 Favored 'Isoleucine or valine' 0 CA--C 1.524 -0.037 0 O-C-N 122.012 -0.43 . . . . 0.0 109.927 175.59 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -90.42 -10.58 43.3 Favored 'General case' 0 CA--C 1.53 0.179 0 N-CA-C 112.015 0.376 . . . . 0.0 112.015 178.94 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . -101.74 -14.4 29.61 Favored Glycine 0 CA--C 1.528 0.897 0 CA-C-O 119.113 -0.826 . . . . 0.0 113.646 -177.313 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 43.3 mm-40 -133.66 -19.82 2.07 Favored 'General case' 0 C--N 1.34 0.154 0 CA-C-N 118.601 1.201 . . . . 0.0 112.772 -173.6 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 22.7 t70 -61.67 118.7 7.44 Favored 'General case' 0 N--CA 1.456 -0.166 0 CA-C-N 119.187 0.903 . . . . 0.0 109.553 178.507 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . 86.08 10.8 74.29 Favored Glycine 0 C--N 1.336 0.544 0 N-CA-C 110.93 -0.868 . . . . 0.0 110.93 179.066 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 73' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -76.09 169.09 18.84 Favored 'General case' 0 N--CA 1.449 -0.499 0 N-CA-C 106.525 -1.658 . . . . 0.0 106.525 171.136 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 74' ' ' MET . . . . . . . . . . . . . 34.2 ttm -114.75 120.48 40.21 Favored 'General case' 0 N--CA 1.447 -0.576 0 N-CA-C 109.16 -0.682 . . . . 0.0 109.16 -177.253 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 75' ' ' ILE . . . . . . . . . . . . . 0.2 OUTLIER -127.23 134.92 64.86 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.419 0 N-CA-C 109.396 -0.594 . . . . 0.0 109.396 179.715 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . 54.45 18.09 1.82 Allowed 'General case' 0 CA--C 1.532 0.262 0 C-N-CA 123.389 0.676 . . . . 0.0 112.152 -174.748 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 89.88 4.2 72.68 Favored Glycine 0 CA--C 1.527 0.833 0 CA-C-O 119.811 -0.438 . . . . 0.0 112.359 -179.294 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 78' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -124.28 130.21 52.12 Favored 'General case' 0 N--CA 1.451 -0.399 0 CA-C-N 117.671 0.735 . . . . 0.0 110.086 -178.847 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 79' ' ' VAL . . . . . . . . . . . . . 46.0 t -63.19 141.51 18.03 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.176 0 C-N-CA 124.232 1.013 . . . . 0.0 110.409 -179.126 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 32.3 mt -96.6 156.23 16.43 Favored 'General case' 0 C--N 1.335 -0.065 0 CA-C-O 120.952 0.406 . . . . 0.0 111.192 177.257 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 81' ' ' ASP . . . . . . . . . . . . . 12.0 m-20 -122.1 106.18 10.94 Favored 'General case' 0 N--CA 1.455 -0.192 0 N-CA-C 107.679 -1.23 . . . . 0.0 107.679 174.128 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 82' ' ' ILE . . . . . . . . . . . . . 62.1 mt -121.54 137.65 54.48 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.175 0 C-N-CA 122.967 0.507 . . . . 0.0 110.921 -170.9 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 83' ' ' ASN . . . . . . . . . . . . . 2.3 p-10 -158.17 167.1 30.75 Favored 'General case' 0 CA--C 1.531 0.234 0 C-N-CA 124.279 1.032 . . . . 0.0 109.068 179.307 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 84' ' ' LEU . . . . . . . . . . . . . 49.8 mt -64.16 151.84 42.26 Favored 'General case' 0 CA--C 1.519 -0.229 0 O-C-N 121.857 -0.527 . . . . 0.0 109.847 176.816 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . -68.93 2.5 2.59 Favored 'General case' 0 CA--C 1.532 0.283 0 CA-C-N 116.46 -0.336 . . . . 0.0 111.86 -179.379 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . -128.42 9.36 6.07 Favored 'General case' 0 N--CA 1.454 -0.247 0 C-N-CA 123.253 0.621 . . . . 0.0 111.491 179.471 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 87' ' ' GLU . . . . . 0.439 ' C ' ' H ' ' A' ' 89' ' ' LYS . 93.7 mt-10 -136.99 68.78 57.48 Favored Pre-proline 0 CA--C 1.532 0.255 0 O-C-N 122.265 -0.272 . . . . 0.0 111.133 -178.932 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 88' ' ' PRO . . . . . . . . . . . . . 96.0 Cg_endo -75.11 38.11 0.52 Allowed 'Trans proline' 0 N--CA 1.453 -0.904 0 C-N-CA 124.215 3.276 . . . . 0.0 110.479 172.314 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 89' ' ' LYS . . . . . 0.521 ' HG3' ' H ' ' A' ' 90' ' ' VAL . 12.9 ptpt -41.24 -53.49 3.18 Favored 'General case' 0 C--N 1.339 0.125 0 C-N-CA 125.078 1.351 . . . . 0.0 113.186 -174.435 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 90' ' ' VAL . . . . . 0.521 ' H ' ' HG3' ' A' ' 89' ' ' LYS . 47.1 t -150.5 -31.05 0.08 OUTLIER 'Isoleucine or valine' 0 N--CA 1.456 -0.158 0 C-N-CA 124.32 1.048 . . . . 0.0 110.328 -175.97 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 91' ' ' ASN . . . . . . . . . . . . . 11.0 m120 -75.87 5.77 5.98 Favored 'General case' 0 N--CA 1.451 -0.408 0 N-CA-C 113.043 0.757 . . . . 0.0 113.043 -170.048 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 92' ' ' ARG . . . . . . . . . . . . . 17.6 tpt180 -70.47 -29.45 66.0 Favored 'General case' 0 C--N 1.34 0.177 0 CA-C-N 118.515 0.598 . . . . 0.0 110.346 178.678 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . 46.91 -134.25 11.6 Favored Glycine 0 C--N 1.337 0.631 0 N-CA-C 110.879 -0.888 . . . . 0.0 110.879 -179.982 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 29.0 tptp -154.36 -45.55 0.09 Allowed 'General case' 0 N--CA 1.452 -0.363 0 N-CA-C 111.877 0.325 . . . . 0.0 111.877 178.19 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . -153.85 169.15 24.08 Favored 'General case' 0 N--CA 1.455 -0.185 0 CA-C-O 120.674 0.273 . . . . 0.0 111.319 -174.773 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . -70.98 -10.46 68.33 Favored Glycine 0 CA--C 1.522 0.513 0 CA-C-N 116.2 -0.455 . . . . 0.0 112.197 179.408 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 97' ' ' VAL . . . . . . . . . . . . . 11.2 p -112.51 132.56 60.9 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.253 0 N-CA-C 108.853 -0.795 . . . . 0.0 108.853 173.956 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 98' ' ' LYS . . . . . . . . . . . . . 91.0 mttt -128.78 19.51 6.1 Favored 'General case' 0 CA--C 1.531 0.228 0 C-N-CA 123.22 0.608 . . . . 0.0 110.746 -176.257 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 99' ' ' ARG . . . . . . . . . . . . . 18.9 tpt180 -104.54 174.52 5.84 Favored 'General case' 0 CA--C 1.529 0.165 0 C-N-CA 124.412 1.085 . . . . 0.0 109.37 -179.234 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 67.8 m -61.72 -16.82 52.5 Favored 'General case' 0 CA--C 1.528 0.121 0 N-CA-C 112.334 0.494 . . . . 0.0 112.334 177.444 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 101' ' ' ALA . . . . . . . . . . . . . . . 52.5 16.16 0.59 Allowed 'General case' 0 CA--C 1.536 0.409 0 C-N-CA 124.148 0.979 . . . . 0.0 112.382 -176.62 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -147.97 14.25 1.03 Allowed 'General case' 0 N--CA 1.451 -0.389 0 C-N-CA 123.358 0.663 . . . . 0.0 111.261 -179.058 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 20.4 pt-20 -70.16 -2.08 12.03 Favored 'General case' 0 CA--C 1.531 0.227 0 N-CA-C 112.599 0.592 . . . . 0.0 112.599 -177.133 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 104' ' ' MET . . . . . . . . . . . . . 75.3 mtm -110.33 6.5 22.44 Favored 'General case' 0 CA--C 1.531 0.227 0 C-N-CA 123.806 0.842 . . . . 0.0 111.545 178.342 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 105' ' ' TYR . . . . . . . . . . . . . 48.8 m-85 -134.68 2.15 3.15 Favored 'General case' 0 CA--C 1.529 0.148 0 C-N-CA 122.795 0.438 . . . . 0.0 111.651 -177.778 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 106' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--N 1.337 0.619 0 N-CA-C 110.827 -0.909 . . . . 0.0 110.827 -179.604 . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' B' B ' 1' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.422 -2.56 1 C5'-C4'-C3' 109.122 -4.252 . 0.0 '__' . 0.0 . . . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 2' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.419 -2.832 1 O4'-C1'-N19 112.505 4.305 . 0.01 4b . 0.0 . . . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 3' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.416 -3.075 0 O4'-C1'-N19 110.856 2.656 . 0.159 0b . 0.0 . . . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' B' B ' 4' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.423 -2.482 1 O4'-C1'-N19 112.262 4.062 . 0.28 4b . 0.0 . . . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 5' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.416 -3.081 1 O4'-C1'-N19 112.689 4.489 . 0.57 2h . 0.0 . . . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.472 0.652 0 N-CA-C 110.694 -0.113 . . . . 0.0 110.694 . . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 40.2 t -66.23 157.87 30.35 Favored 'General case' 0 C--N 1.333 -0.109 0 C-N-CA 122.574 0.349 . . . . 0.0 110.909 179.368 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 4' ' ' ASN . . . . . . . . . . . . . 2.7 p-10 -88.54 1.48 54.83 Favored 'General case' 0 CA--C 1.529 0.149 0 C-N-CA 122.812 0.445 . . . . 0.0 111.268 178.907 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 91.0 t -95.51 133.01 38.09 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.213 0 C-N-CA 122.884 0.474 . . . . 0.0 110.816 -177.566 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 62.3 p -146.69 10.74 1.08 Allowed 'General case' 0 CA--C 1.53 0.205 0 C-N-CA 123.485 0.714 . . . . 0.0 112.165 179.816 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 7' ' ' ASN . . . . . . . . . . . . . 63.2 t-20 -120.49 107.39 12.81 Favored 'General case' 0 CA--C 1.53 0.199 0 CA-C-N 119.193 0.906 . . . . 0.0 111.793 -179.032 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 55.1 mtmt -148.35 163.99 35.43 Favored 'General case' 0 N--CA 1.46 0.066 0 C-N-CA 125.644 1.578 . . . . 0.0 107.654 173.508 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 82.2 p -127.47 22.28 6.49 Favored 'General case' 0 C--O 1.233 0.196 0 N-CA-C 112.966 0.728 . . . . 0.0 112.966 -175.504 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 13.4 m-20 -66.68 153.87 92.7 Favored Pre-proline 0 N--CA 1.455 -0.187 0 N-CA-C 109.851 -0.425 . . . . 0.0 109.851 177.871 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 11' ' ' PRO . . . . . . . . . . . . . 73.8 Cg_endo -67.11 8.33 0.37 Allowed 'Trans proline' 0 N--CA 1.454 -0.845 0 C-N-CA 123.757 2.971 . . . . 0.0 112.994 -177.303 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -139.7 -29.87 0.72 Allowed 'General case' 0 C--N 1.339 0.14 0 CA-C-N 118.017 0.371 . . . . 0.0 111.488 178.005 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 82.2 p -74.33 -33.04 63.04 Favored 'General case' 0 N--CA 1.454 -0.229 0 CA-C-N 117.968 0.349 . . . . 0.0 111.137 -177.253 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 14' ' ' MET . . . . . . . . . . . . . 16.6 ptm -85.9 -3.25 58.87 Favored 'General case' 0 N--CA 1.454 -0.259 0 C-N-CA 120.589 -0.444 . . . . 0.0 112.041 178.633 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 37.0 m-80 -103.13 -17.46 15.37 Favored 'General case' 0 CA--C 1.533 0.294 0 C-N-CA 122.77 0.428 . . . . 0.0 109.905 175.527 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 15.6 m -91.04 15.02 12.38 Favored 'General case' 0 CA--C 1.531 0.222 0 C-N-CA 123.462 0.705 . . . . 0.0 110.669 172.696 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 36.6 ttm180 -113.32 156.64 23.01 Favored 'General case' 0 CA--C 1.523 -0.085 0 C-N-CA 124.708 1.203 . . . . 0.0 110.115 -175.77 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 64.8 t -130.27 134.09 63.05 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.176 0 CA-C-O 120.791 0.329 . . . . 0.0 110.309 177.022 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 22.3 t80 -94.19 131.72 39.47 Favored 'General case' 0 N--CA 1.451 -0.378 0 C-N-CA 123.878 0.871 . . . . 0.0 108.917 175.259 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 60.1 mt -120.09 84.3 0.83 Allowed 'Isoleucine or valine' 0 CA--C 1.521 -0.16 0 N-CA-C 108.002 -1.11 . . . . 0.0 108.002 -179.592 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -82.69 172.05 51.65 Favored Glycine 0 CA--C 1.524 0.644 0 N-CA-C 111.107 -0.797 . . . . 0.0 111.107 178.774 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 53.8 t30 49.55 49.39 20.02 Favored 'General case' 0 CA--C 1.533 0.311 0 C-N-CA 123.202 0.601 . . . . 0.0 111.237 -179.617 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 53.2 tp -98.55 144.87 27.4 Favored 'General case' 0 N--CA 1.455 -0.188 0 C-N-CA 123.121 0.568 . . . . 0.0 110.171 179.524 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 65.3 t30 -70.07 -39.81 75.4 Favored 'General case' 0 N--CA 1.457 -0.113 0 O-C-N 122.168 -0.332 . . . . 0.0 111.418 -177.963 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 18.2 p 56.46 -1.79 0.04 OUTLIER 'General case' 0 CA--C 1.532 0.265 0 C-N-CA 126.89 2.076 . . . . 0.0 115.389 -179.941 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 7.9 mp -90.78 -16.84 27.67 Favored 'General case' 0 CA--C 1.53 0.184 0 C-N-CA 123.019 0.527 . . . . 0.0 111.274 177.628 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 56.6 t -127.29 -17.89 2.62 Favored 'Isoleucine or valine' 0 CA--C 1.53 0.197 0 C-N-CA 122.754 0.422 . . . . 0.0 110.649 179.822 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 55.0 t -115.02 131.5 67.07 Favored 'Isoleucine or valine' 0 C--N 1.341 0.213 0 O-C-N 122.277 -0.264 . . . . 0.0 110.842 178.589 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 73.5 mmtt -122.64 177.76 5.3 Favored 'General case' 0 CA--C 1.522 -0.1 0 C-N-CA 123.934 0.894 . . . . 0.0 110.699 -177.536 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 10.9 ptmt -71.05 -5.64 32.89 Favored 'General case' 0 C--N 1.333 -0.11 0 C-N-CA 123.833 0.853 . . . . 0.0 112.026 -179.801 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 46.2 m -100.9 0.79 39.09 Favored 'General case' 0 C--N 1.333 -0.15 0 C-N-CA 123.967 0.907 . . . . 0.0 110.498 173.833 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 28.4 m-20 -116.26 -33.42 4.99 Favored 'General case' 0 N--CA 1.452 -0.328 0 C-N-CA 123.866 0.866 . . . . 0.0 110.649 179.69 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 75.6 t -64.69 -31.17 52.59 Favored 'Isoleucine or valine' 0 N--CA 1.456 -0.148 0 N-CA-C 108.95 -0.759 . . . . 0.0 108.95 177.951 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 25.5 pt-20 -79.8 8.09 7.43 Favored 'General case' 0 CA--C 1.532 0.27 0 O-C-N 122.14 -0.35 . . . . 0.0 111.823 178.221 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -126.08 -7.79 6.55 Favored 'General case' 0 N--CA 1.454 -0.227 0 C-N-CA 123.42 0.688 . . . . 0.0 111.025 176.315 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 79.3 mt -108.63 -27.93 2.84 Favored 'Isoleucine or valine' 0 C--N 1.338 0.1 0 C-N-CA 123.062 0.545 . . . . 0.0 110.508 178.607 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 37' ' ' PHE . . . . . . . . . . . . . 58.9 m-85 -102.47 -8.25 21.24 Favored 'General case' 0 N--CA 1.453 -0.29 0 C-N-CA 122.703 0.401 . . . . 0.0 110.933 -179.87 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 66.5 p -72.2 -14.77 61.88 Favored 'General case' 0 C--O 1.23 0.059 0 C-N-CA 122.421 0.288 . . . . 0.0 111.41 -178.758 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 13.2 ptmm? -81.5 -10.39 59.49 Favored 'General case' 0 C--O 1.233 0.2 0 C-N-CA 123.237 0.615 . . . . 0.0 112.189 179.296 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 40' ' ' TYR . . . . . . . . . . . . . 72.1 m-85 -107.09 -14.69 14.86 Favored 'General case' 0 C--O 1.233 0.191 0 C-N-CA 122.728 0.411 . . . . 0.0 111.426 177.914 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -176.37 161.2 29.31 Favored Glycine 0 C--N 1.335 0.516 0 N-CA-C 112.03 -0.428 . . . . 0.0 112.03 174.158 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 78.0 tttt -71.66 114.12 9.42 Favored 'General case' 0 N--CA 1.45 -0.44 0 N-CA-C 108.886 -0.783 . . . . 0.0 108.886 177.34 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 43' ' ' ILE . . . . . . . . . . . . . 72.8 mt -83.3 129.97 36.57 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.344 0 N-CA-C 109.664 -0.495 . . . . 0.0 109.664 -178.199 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 33.5 m -109.61 -6.72 11.2 Favored 'Isoleucine or valine' 0 N--CA 1.457 -0.098 0 C-N-CA 123.223 0.609 . . . . 0.0 110.668 178.753 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . -168.19 145.75 9.9 Favored Glycine 0 C--N 1.338 0.639 0 N-CA-C 109.994 -1.242 . . . . 0.0 109.994 176.946 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 46' ' ' CYS . . . . . . . . . . . . . 49.1 t -150.37 144.46 25.49 Favored 'General case' 0 N--CA 1.453 -0.32 0 N-CA-C 109.864 -0.421 . . . . 0.0 109.864 -179.542 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 22.7 t -153.94 148.22 25.93 Favored 'General case' 0 N--CA 1.453 -0.287 0 N-CA-C 109.986 -0.375 . . . . 0.0 109.986 177.196 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 48' ' ' VAL . . . . . . . . . . . . . 83.6 t -125.45 147.06 30.21 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.264 0 N-CA-C 109.204 -0.665 . . . . 0.0 109.204 177.184 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 49' ' ' HIS . . . . . . . . . . . . . 45.0 m-70 -133.41 -166.92 1.84 Allowed 'General case' 0 N--CA 1.45 -0.438 0 N-CA-C 107.915 -1.143 . . . . 0.0 107.915 -177.407 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 29.7 mmmt -89.78 119.32 30.07 Favored 'General case' 0 N--CA 1.457 -0.108 0 O-C-N 121.807 -0.558 . . . . 0.0 110.088 176.402 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 83.04 -12.99 46.99 Favored Glycine 0 CA--C 1.53 0.987 0 C-N-CA 123.718 0.675 . . . . 0.0 113.107 179.059 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 53.7 p90 -149.93 169.04 22.09 Favored 'General case' 0 CA--C 1.527 0.075 0 CA-C-N 118.541 1.171 . . . . 0.0 111.601 179.659 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -148.11 171.05 16.49 Favored 'General case' 0 N--CA 1.456 -0.164 0 C-N-CA 123.964 0.906 . . . . 0.0 109.881 176.458 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 54' ' ' PHE . . . . . . . . . . . . . 13.1 m-85 -139.65 146.93 40.32 Favored 'General case' 0 N--CA 1.451 -0.388 0 C-N-CA 123.364 0.665 . . . . 0.0 110.653 -179.495 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 97.8 t -135.56 146.71 29.41 Favored 'Isoleucine or valine' 0 CA--C 1.518 -0.282 0 N-CA-C 108.756 -0.831 . . . . 0.0 108.756 178.101 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 56' ' ' GLN . . . . . . . . . . . . . 68.3 tp60 -126.24 132.23 51.76 Favored 'General case' 0 N--CA 1.449 -0.477 0 N-CA-C 109.043 -0.725 . . . . 0.0 109.043 -178.776 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 57' ' ' TYR . . . . . 0.44 ' HH ' ' CB ' ' A' ' 66' ' ' ALA . 42.7 m-85 -114.5 175.45 5.48 Favored 'General case' 0 N--CA 1.454 -0.256 0 C-N-CA 123.577 0.751 . . . . 0.0 110.453 -179.825 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 58' ' ' VAL . . . . . . . . . . . . . 60.2 t -71.04 -30.1 39.77 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.415 0 CA-C-N 115.857 -0.611 . . . . 0.0 110.346 178.493 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 59' ' ' ASN . . . . . . . . . . . . . 0.0 OUTLIER -156.49 165.85 35.11 Favored 'General case' 0 N--CA 1.454 -0.233 0 N-CA-C 112.42 0.526 . . . . 0.0 112.42 178.063 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 82.9 tt0 -57.2 -29.81 64.02 Favored 'General case' 0 CA--C 1.528 0.13 0 C-N-CA 123.935 0.894 . . . . 0.0 112.742 -179.674 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 19.5 tpp180 -60.06 -37.73 80.74 Favored 'General case' 0 CA--C 1.529 0.147 0 CA-C-N 119.398 0.999 . . . . 0.0 109.897 179.811 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 62' ' ' ASN . . . . . . . . . . . . . 18.1 m120 -72.29 -24.74 61.38 Favored 'General case' 0 N--CA 1.45 -0.445 0 C-N-CA 120.738 -0.385 . . . . 0.0 110.956 179.125 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -75.04 -39.04 61.27 Favored 'General case' 0 N--CA 1.455 -0.219 0 N-CA-C 110.161 -0.311 . . . . 0.0 110.161 178.048 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 64' ' ' ARG . . . . . . . . . . . . . 24.1 mmt180 -66.96 -27.85 67.8 Favored 'General case' 0 C--O 1.23 0.05 0 N-CA-C 110.331 -0.248 . . . . 0.0 110.331 178.386 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -77.23 -33.79 56.04 Favored 'General case' 0 N--CA 1.452 -0.352 0 CA-C-N 117.401 0.092 . . . . 0.0 111.084 -179.261 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 66' ' ' ALA . . . . . 0.44 ' CB ' ' HH ' ' A' ' 57' ' ' TYR . . . -83.13 -34.18 26.11 Favored 'General case' 0 N--CA 1.452 -0.35 0 O-C-N 122.237 -0.289 . . . . 0.0 111.626 179.854 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 67' ' ' VAL . . . . . . . . . . . . . 51.2 t -64.62 -33.95 66.59 Favored 'Isoleucine or valine' 0 C--O 1.23 0.054 0 N-CA-C 110.105 -0.332 . . . . 0.0 110.105 175.675 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -93.03 -10.04 37.6 Favored 'General case' 0 N--CA 1.455 -0.202 0 N-CA-C 112.186 0.439 . . . . 0.0 112.186 178.054 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . -101.2 -14.69 30.07 Favored Glycine 0 CA--C 1.529 0.925 0 CA-C-O 119.139 -0.812 . . . . 0.0 113.753 -177.504 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 45.8 mm-40 -131.85 -16.59 2.9 Favored 'General case' 0 N--CA 1.463 0.198 0 CA-C-N 118.775 1.288 . . . . 0.0 112.695 -175.011 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 25.4 t70 -60.73 119.78 8.81 Favored 'General case' 0 N--CA 1.453 -0.283 0 O-C-N 121.067 -1.021 . . . . 0.0 109.998 177.505 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . 78.64 19.28 73.86 Favored Glycine 0 CA--C 1.529 0.949 0 CA-C-O 119.931 -0.371 . . . . 0.0 112.922 177.857 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 73' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -79.97 -20.11 46.3 Favored 'General case' 0 N--CA 1.467 0.375 0 N-CA-C 113.506 0.928 . . . . 0.0 113.506 -175.118 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 74' ' ' MET . . . . . . . . . . . . . 58.1 ttm 73.34 121.51 0.04 OUTLIER 'General case' 0 C--N 1.327 -0.387 0 C-N-CA 127.058 2.143 . . . . 0.0 111.694 177.735 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 75' ' ' ILE . . . . . . . . . . . . . 0.3 OUTLIER -136.73 139.76 44.29 Favored 'Isoleucine or valine' 0 N--CA 1.446 -0.658 0 CA-C-N 115.092 -0.958 . . . . 0.0 109.44 -176.805 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . 55.28 15.53 1.37 Allowed 'General case' 0 CA--C 1.533 0.324 0 N-CA-C 112.407 0.521 . . . . 0.0 112.407 -175.318 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 91.67 4.4 67.74 Favored Glycine 0 CA--C 1.528 0.885 0 CA-C-O 119.684 -0.509 . . . . 0.0 111.879 -179.429 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 78' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -124.92 131.73 53.39 Favored 'General case' 0 N--CA 1.453 -0.28 0 CA-C-N 117.755 0.778 . . . . 0.0 109.866 -179.376 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 79' ' ' VAL . . . . . . . . . . . . . 38.7 t -65.35 139.34 21.52 Favored 'Isoleucine or valine' 0 CA--C 1.523 -0.085 0 C-N-CA 123.743 0.817 . . . . 0.0 110.453 -176.86 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 26.8 mt -94.62 156.35 16.46 Favored 'General case' 0 N--CA 1.456 -0.137 0 CA-C-O 120.816 0.341 . . . . 0.0 110.603 176.749 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 81' ' ' ASP . . . . . . . . . . . . . 6.1 m-20 -125.32 95.78 4.59 Favored 'General case' 0 N--CA 1.453 -0.304 0 N-CA-C 107.615 -1.254 . . . . 0.0 107.615 177.101 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 82' ' ' ILE . . . . . . . . . . . . . 67.0 mt -109.96 139.11 34.63 Favored 'Isoleucine or valine' 0 N--CA 1.456 -0.172 0 C-N-CA 123.273 0.629 . . . . 0.0 109.899 -170.614 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 83' ' ' ASN . . . . . . . . . . . . . 6.7 t30 -154.12 158.13 39.95 Favored 'General case' 0 CA--C 1.53 0.21 0 N-CA-C 109.783 -0.451 . . . . 0.0 109.783 -175.853 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 84' ' ' LEU . . . . . . . . . . . . . 17.6 tp -60.46 139.69 57.6 Favored 'General case' 0 N--CA 1.45 -0.45 0 N-CA-C 109.174 -0.676 . . . . 0.0 109.174 174.408 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . -71.46 1.71 6.01 Favored 'General case' 0 CA--C 1.531 0.225 0 N-CA-C 113.5 0.926 . . . . 0.0 113.5 -175.216 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . -132.15 2.32 3.93 Favored 'General case' 0 CA--C 1.53 0.211 0 CA-C-N 118.883 0.765 . . . . 0.0 112.825 -176.544 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 80.9 mm-40 -138.65 62.3 28.03 Favored Pre-proline 0 C--O 1.232 0.179 0 CA-C-N 118.101 0.41 . . . . 0.0 110.514 -177.968 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 88' ' ' PRO . . . . . . . . . . . . . 61.0 Cg_endo -66.79 156.24 66.9 Favored 'Trans proline' 0 N--CA 1.454 -0.826 0 C-N-CA 122.878 2.385 . . . . 0.0 109.965 177.7 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 89' ' ' LYS . . . . . 0.495 ' HG3' ' H ' ' A' ' 90' ' ' VAL . 14.3 ptpt -145.17 -97.38 0.1 Allowed 'General case' 0 N--CA 1.454 -0.273 0 C-N-CA 122.788 0.435 . . . . 0.0 111.078 -173.973 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 90' ' ' VAL . . . . . 0.495 ' H ' ' HG3' ' A' ' 89' ' ' LYS . 4.0 m -122.28 -13.94 7.01 Favored 'Isoleucine or valine' 0 C--O 1.231 0.094 0 C-N-CA 124.303 1.041 . . . . 0.0 111.402 -178.189 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 91' ' ' ASN . . . . . . . . . . . . . 23.4 m120 -79.94 15.0 1.57 Allowed 'General case' 0 N--CA 1.455 -0.215 0 C-N-CA 123.48 0.712 . . . . 0.0 112.236 -177.047 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 92' ' ' ARG . . . . . . . . . . . . . 39.3 ttt180 -125.44 127.4 46.46 Favored 'General case' 0 N--CA 1.451 -0.382 0 CA-C-O 121.407 0.622 . . . . 0.0 109.485 175.193 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . -161.25 -141.08 3.03 Favored Glycine 0 CA--C 1.522 0.489 0 N-CA-C 107.42 -2.272 . . . . 0.0 107.42 178.7 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 96.9 mttt -134.44 -28.92 1.25 Allowed 'General case' 0 C--O 1.231 0.121 0 CA-C-N 117.75 0.775 . . . . 0.0 111.416 176.013 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . -163.8 179.3 7.19 Favored 'General case' 0 N--CA 1.453 -0.323 0 C-N-CA 123.24 0.616 . . . . 0.0 110.003 179.378 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . -69.48 -11.16 64.58 Favored Glycine 0 CA--C 1.527 0.843 0 N-CA-C 111.416 -0.674 . . . . 0.0 111.416 176.008 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 97' ' ' VAL . . . . . . . . . . . . . 13.6 p -104.6 141.06 20.9 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.245 0 N-CA-C 109.125 -0.695 . . . . 0.0 109.125 174.693 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 98' ' ' LYS . . . . . . . . . . . . . 8.3 mptt -115.13 29.99 7.66 Favored 'General case' 0 CA--C 1.529 0.145 0 C-N-CA 123.452 0.701 . . . . 0.0 111.553 -175.196 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 99' ' ' ARG . . . . . . . . . . . . . 21.4 tpt180 -136.23 170.48 15.96 Favored 'General case' 0 CA--C 1.529 0.141 0 C-N-CA 123.893 0.877 . . . . 0.0 109.121 179.234 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 67.0 m -61.87 -15.1 39.77 Favored 'General case' 0 C--O 1.232 0.135 0 N-CA-C 112.503 0.557 . . . . 0.0 112.503 179.305 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 101' ' ' ALA . . . . . . . . . . . . . . . 53.0 17.1 0.83 Allowed 'General case' 0 CA--C 1.533 0.303 0 C-N-CA 123.989 0.916 . . . . 0.0 112.209 -176.486 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -148.86 14.23 0.92 Allowed 'General case' 0 N--CA 1.454 -0.267 0 C-N-CA 123.654 0.781 . . . . 0.0 110.946 -178.558 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 20.5 pt-20 -68.36 -4.97 16.35 Favored 'General case' 0 CA--C 1.531 0.221 0 N-CA-C 112.459 0.54 . . . . 0.0 112.459 -175.989 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 104' ' ' MET . . . . . . . . . . . . . 73.5 mtm -105.84 6.54 31.7 Favored 'General case' 0 CA--C 1.533 0.295 0 C-N-CA 123.449 0.7 . . . . 0.0 111.472 178.903 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 105' ' ' TYR . . . . . . . . . . . . . 61.1 m-85 -133.52 -2.09 3.08 Favored 'General case' 0 CA--C 1.53 0.183 0 C-N-CA 122.814 0.446 . . . . 0.0 111.879 -177.599 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 106' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--N 1.339 0.735 0 N-CA-C 111.445 -0.662 . . . . 0.0 111.445 179.066 . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' B' B ' 1' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.423 -2.469 1 C5'-C4'-C3' 108.139 -4.907 . 0.0 '__' . 0.0 . . . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 2' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.42 -2.783 1 O4'-C1'-N19 112.92 4.72 . 0.01 4b . 0.0 . . . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 3' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.421 -2.65 0 C5'-C4'-C3' 111.565 -2.624 . 0.105 0b . 0.0 . . . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' B' B ' 4' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.423 -2.499 1 O4'-C1'-N19 112.336 4.136 . 0.137 4b . 0.0 . . . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 5' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.423 -2.505 1 O4'-C1'-N19 113.184 4.984 . 0.6 2u . 0.0 . . . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.471 0.602 0 CA-C-O 120.509 0.195 . . . . 0.0 110.771 . . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 52.0 m -68.73 159.97 31.25 Favored 'General case' 0 C--N 1.339 0.129 0 C-N-CA 122.688 0.395 . . . . 0.0 110.779 179.447 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 4' ' ' ASN . . . . . . . . . . . . . 52.8 p-10 -88.92 6.02 41.3 Favored 'General case' 0 CA--C 1.532 0.271 0 C-N-CA 122.756 0.422 . . . . 0.0 111.989 -179.935 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 96.9 t -94.67 134.0 33.64 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.18 0 C-N-CA 123.116 0.567 . . . . 0.0 110.56 -178.223 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 60.7 p -146.66 5.13 0.9 Allowed 'General case' 0 C--N 1.339 0.114 0 C-N-CA 123.205 0.602 . . . . 0.0 111.86 179.265 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 7' ' ' ASN . . . . . . . . . . . . . 62.3 t-20 -103.16 111.65 24.13 Favored 'General case' 0 N--CA 1.455 -0.182 0 O-C-N 121.338 -0.851 . . . . 0.0 110.893 -177.14 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 65.5 mttp -147.86 156.67 42.95 Favored 'General case' 0 N--CA 1.462 0.151 0 C-N-CA 124.646 1.179 . . . . 0.0 108.879 178.0 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 75.1 p -132.12 14.13 4.69 Favored 'General case' 0 C--N 1.333 -0.121 0 CA-C-N 117.856 0.298 . . . . 0.0 111.695 -178.434 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 10.0 m-20 -67.84 154.03 94.22 Favored Pre-proline 0 N--CA 1.455 -0.199 0 C-N-CA 122.877 0.471 . . . . 0.0 110.504 178.977 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 11' ' ' PRO . . . . . . . . . . . . . 72.0 Cg_endo -68.54 12.25 0.25 Allowed 'Trans proline' 0 N--CA 1.457 -0.647 0 C-N-CA 124.442 3.428 . . . . 0.0 113.012 -176.504 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -144.23 -32.89 0.42 Allowed 'General case' 0 C--N 1.339 0.118 0 CA-C-N 117.94 0.336 . . . . 0.0 110.782 174.468 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 14.9 m -77.39 -17.91 57.78 Favored 'General case' 0 N--CA 1.458 -0.068 0 N-CA-C 112.404 0.52 . . . . 0.0 112.404 -176.515 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 14' ' ' MET . . . . . . . . . . . . . 11.3 ptm -95.52 1.45 53.92 Favored 'General case' 0 N--CA 1.457 -0.098 0 CA-C-N 118.793 0.724 . . . . 0.0 111.417 174.486 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 16.6 m120 -108.13 -19.76 13.38 Favored 'General case' 0 N--CA 1.455 -0.222 0 C-N-CA 122.69 0.396 . . . . 0.0 110.481 -179.976 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 70.2 p -86.97 5.06 39.11 Favored 'General case' 0 N--CA 1.456 -0.173 0 C-N-CA 123.412 0.685 . . . . 0.0 110.996 170.911 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 30.2 ttp-105 -100.06 154.43 18.42 Favored 'General case' 0 N--CA 1.456 -0.158 0 C-N-CA 123.576 0.75 . . . . 0.0 110.299 177.671 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 88.1 t -128.09 130.89 69.78 Favored 'Isoleucine or valine' 0 N--CA 1.449 -0.507 0 C-N-CA 123.168 0.587 . . . . 0.0 110.095 177.87 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 16.1 t80 -86.93 133.5 33.59 Favored 'General case' 0 N--CA 1.452 -0.372 0 C-N-CA 123.917 0.887 . . . . 0.0 109.052 175.08 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 64.0 mt -122.0 83.36 0.8 Allowed 'Isoleucine or valine' 0 N--CA 1.455 -0.184 0 N-CA-C 107.797 -1.186 . . . . 0.0 107.797 178.21 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -84.73 173.31 49.14 Favored Glycine 0 CA--C 1.523 0.548 0 N-CA-C 110.998 -0.841 . . . . 0.0 110.998 178.04 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 59.1 t30 48.6 49.15 18.94 Favored 'General case' 0 CA--C 1.532 0.253 0 C-N-CA 123.072 0.549 . . . . 0.0 110.858 -178.666 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 59.4 tp -101.19 146.25 27.75 Favored 'General case' 0 CA--C 1.529 0.148 0 N-CA-C 109.381 -0.6 . . . . 0.0 109.381 179.219 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 64.0 t30 -70.22 -37.25 74.99 Favored 'General case' 0 N--CA 1.455 -0.191 0 O-C-N 122.205 -0.309 . . . . 0.0 111.424 -177.338 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 49.7 p 51.95 7.52 0.05 Allowed 'General case' 0 N--CA 1.465 0.317 0 C-N-CA 126.385 1.874 . . . . 0.0 115.106 178.992 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 6.7 mp -102.03 -14.23 17.22 Favored 'General case' 0 CA--C 1.53 0.175 0 C-N-CA 123.589 0.756 . . . . 0.0 111.095 176.516 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 61.5 t -128.14 -20.14 1.93 Allowed 'Isoleucine or valine' 0 C--O 1.23 0.06 0 C-N-CA 122.937 0.495 . . . . 0.0 110.636 178.773 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 57.4 t -108.27 137.05 41.77 Favored 'Isoleucine or valine' 0 C--O 1.234 0.247 0 O-C-N 122.262 -0.273 . . . . 0.0 110.3 178.003 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -127.31 171.85 11.13 Favored 'General case' 0 C--N 1.337 0.062 0 C-N-CA 124.07 0.948 . . . . 0.0 109.753 -178.582 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 10.7 ptmt -66.77 -5.01 10.45 Favored 'General case' 0 CA--C 1.529 0.135 0 C-N-CA 123.651 0.78 . . . . 0.0 112.638 179.909 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 53.3 p -95.68 -11.63 26.8 Favored 'General case' 0 CA--C 1.529 0.148 0 C-N-CA 123.593 0.757 . . . . 0.0 110.969 174.684 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 39.4 m-20 -103.23 -34.38 8.84 Favored 'General case' 0 N--CA 1.452 -0.37 0 C-N-CA 124.451 1.1 . . . . 0.0 110.691 179.54 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 85.6 t -66.62 -30.61 50.28 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.188 0 N-CA-C 109.014 -0.736 . . . . 0.0 109.014 -179.187 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 25.5 pt-20 -80.15 8.08 7.98 Favored 'General case' 0 CA--C 1.532 0.254 0 N-CA-C 111.818 0.303 . . . . 0.0 111.818 178.178 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -125.92 -9.32 6.62 Favored 'General case' 0 N--CA 1.456 -0.17 0 C-N-CA 123.251 0.62 . . . . 0.0 111.168 176.407 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 73.3 mt -107.26 -28.1 2.87 Favored 'Isoleucine or valine' 0 C--N 1.34 0.193 0 C-N-CA 123.055 0.542 . . . . 0.0 110.591 178.692 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 37' ' ' PHE . . . . . . . . . . . . . 66.1 m-85 -101.86 -8.84 21.27 Favored 'General case' 0 N--CA 1.453 -0.311 0 C-N-CA 122.56 0.344 . . . . 0.0 111.102 179.559 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 26.6 t -73.12 -13.56 61.21 Favored 'General case' 0 CA--C 1.528 0.118 0 O-C-N 122.194 -0.317 . . . . 0.0 111.149 -178.709 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 18.3 ptmt -83.92 -10.8 57.69 Favored 'General case' 0 CA--C 1.53 0.211 0 C-N-CA 122.893 0.477 . . . . 0.0 112.031 179.714 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 40' ' ' TYR . . . . . . . . . . . . . 74.8 m-85 -106.24 -14.73 15.04 Favored 'General case' 0 N--CA 1.463 0.191 0 C-N-CA 122.643 0.377 . . . . 0.0 111.216 177.957 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -176.59 160.21 27.54 Favored Glycine 0 C--N 1.335 0.476 0 N-CA-C 111.877 -0.489 . . . . 0.0 111.877 174.673 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 78.6 tttt -72.11 114.35 10.12 Favored 'General case' 0 N--CA 1.452 -0.35 0 N-CA-C 108.744 -0.836 . . . . 0.0 108.744 178.337 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 43' ' ' ILE . . . . . . . . . . . . . 74.4 mt -83.22 129.28 37.73 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.182 0 N-CA-C 109.745 -0.465 . . . . 0.0 109.745 -178.447 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 34.1 m -108.56 -6.61 10.91 Favored 'Isoleucine or valine' 0 CA--C 1.527 0.07 0 C-N-CA 123.364 0.666 . . . . 0.0 110.731 178.329 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . -172.21 147.42 9.96 Favored Glycine 0 CA--C 1.525 0.696 0 N-CA-C 110.05 -1.22 . . . . 0.0 110.05 177.14 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 46' ' ' CYS . . . . . . . . . . . . . 52.9 t -153.04 144.82 23.56 Favored 'General case' 0 N--CA 1.45 -0.425 0 N-CA-C 109.804 -0.443 . . . . 0.0 109.804 179.777 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 22.6 t -151.53 142.85 23.38 Favored 'General case' 0 N--CA 1.45 -0.471 0 N-CA-C 109.963 -0.384 . . . . 0.0 109.963 177.265 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 48' ' ' VAL . . . . . . . . . . . . . 93.8 t -120.0 146.23 25.09 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.376 0 N-CA-C 109.186 -0.672 . . . . 0.0 109.186 178.245 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 49' ' ' HIS . . . . . . . . . . . . . 43.4 m-70 -131.78 -163.17 1.3 Allowed 'General case' 0 N--CA 1.452 -0.353 0 C-N-CA 124.458 1.103 . . . . 0.0 108.036 -176.677 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 7.0 tmtt? -93.18 114.38 26.86 Favored 'General case' 0 N--CA 1.454 -0.269 0 N-CA-C 109.307 -0.627 . . . . 0.0 109.307 177.829 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 85.62 -11.42 61.7 Favored Glycine 0 CA--C 1.528 0.888 0 CA-C-O 119.674 -0.515 . . . . 0.0 113.289 178.636 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 50.5 p90 -149.83 167.24 27.13 Favored 'General case' 0 N--CA 1.456 -0.129 0 CA-C-N 118.576 1.188 . . . . 0.0 111.545 179.254 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -148.63 172.27 14.82 Favored 'General case' 0 N--CA 1.455 -0.207 0 C-N-CA 123.837 0.855 . . . . 0.0 110.389 176.897 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 54' ' ' PHE . . . . . . . . . . . . . 21.9 m-85 -140.95 145.93 36.68 Favored 'General case' 0 N--CA 1.453 -0.308 0 C-N-CA 123.915 0.886 . . . . 0.0 110.79 179.75 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 96.8 t -135.98 136.13 49.94 Favored 'Isoleucine or valine' 0 CA--C 1.519 -0.241 0 C-N-CA 123.573 0.749 . . . . 0.0 109.181 178.17 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 56' ' ' GLN . . . . . . . . . . . . . 58.2 tp60 -115.58 130.29 56.82 Favored 'General case' 0 N--CA 1.45 -0.454 0 C-N-CA 123.343 0.657 . . . . 0.0 109.541 -177.374 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 57' ' ' TYR . . . . . 0.478 ' HH ' ' CB ' ' A' ' 66' ' ' ALA . 43.2 m-85 -111.38 177.25 4.72 Favored 'General case' 0 N--CA 1.454 -0.247 0 C-N-CA 123.396 0.678 . . . . 0.0 110.758 179.47 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 58' ' ' VAL . . . . . . . . . . . . . 68.7 t -72.47 -31.39 37.89 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.183 0 CA-C-N 116.517 -0.311 . . . . 0.0 110.218 178.45 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 59' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -155.36 169.55 23.97 Favored 'General case' 0 C--O 1.231 0.129 0 CA-C-O 121.144 0.497 . . . . 0.0 112.331 178.901 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 74.3 tt0 -59.55 -30.53 68.69 Favored 'General case' 0 N--CA 1.455 -0.205 0 C-N-CA 123.883 0.873 . . . . 0.0 112.215 -178.301 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 19.2 tpp180 -59.7 -38.57 81.96 Favored 'General case' 0 N--CA 1.456 -0.134 0 CA-C-N 118.912 0.778 . . . . 0.0 109.923 -179.916 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 62' ' ' ASN . . . . . . . . . . . . . 19.5 m120 -71.44 -25.04 62.14 Favored 'General case' 0 N--CA 1.452 -0.345 0 C-N-CA 121.08 -0.248 . . . . 0.0 111.047 179.637 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -74.68 -37.59 62.62 Favored 'General case' 0 N--CA 1.454 -0.228 0 N-CA-C 110.372 -0.233 . . . . 0.0 110.372 177.982 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 64' ' ' ARG . . . . . . . . . . . . . 32.1 mmt180 -69.75 -26.45 64.31 Favored 'General case' 0 N--CA 1.457 -0.088 0 N-CA-C 110.606 -0.146 . . . . 0.0 110.606 179.392 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -78.36 -33.38 49.05 Favored 'General case' 0 N--CA 1.454 -0.237 0 CA-C-N 117.389 0.086 . . . . 0.0 110.877 -179.743 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 66' ' ' ALA . . . . . 0.478 ' CB ' ' HH ' ' A' ' 57' ' ' TYR . . . -82.31 -35.8 27.6 Favored 'General case' 0 N--CA 1.452 -0.372 0 O-C-N 122.024 -0.422 . . . . 0.0 111.452 179.217 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 67' ' ' VAL . . . . . . . . . . . . . 52.0 t -64.98 -30.78 51.37 Favored 'Isoleucine or valine' 0 C--O 1.227 -0.097 0 N-CA-C 109.904 -0.406 . . . . 0.0 109.904 176.038 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -94.33 -10.31 33.12 Favored 'General case' 0 N--CA 1.455 -0.2 0 O-C-N 122.108 -0.37 . . . . 0.0 111.857 177.772 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . -101.93 -13.08 32.69 Favored Glycine 0 CA--C 1.532 1.113 0 CA-C-O 119.216 -0.769 . . . . 0.0 113.924 -177.415 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 24.7 mm-40 -135.56 -19.38 1.63 Allowed 'General case' 0 N--CA 1.465 0.278 0 CA-C-N 118.671 1.236 . . . . 0.0 112.561 -174.282 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 18.9 t0 -61.96 118.32 7.1 Favored 'General case' 0 N--CA 1.455 -0.177 0 CA-C-N 119.425 1.011 . . . . 0.0 110.244 178.893 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . 87.2 9.96 72.27 Favored Glycine 0 C--N 1.336 0.577 0 N-CA-C 111.115 -0.794 . . . . 0.0 111.115 179.258 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 73' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -75.95 168.8 19.37 Favored 'General case' 0 N--CA 1.45 -0.427 0 N-CA-C 106.482 -1.673 . . . . 0.0 106.482 171.511 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 74' ' ' MET . . . . . . . . . . . . . 32.4 ttm -113.69 121.61 44.63 Favored 'General case' 0 N--CA 1.45 -0.453 0 N-CA-C 109.342 -0.614 . . . . 0.0 109.342 -176.97 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 75' ' ' ILE . . . . . . . . . . . . . 0.2 OUTLIER -129.11 136.39 59.72 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.28 0 N-CA-C 109.335 -0.616 . . . . 0.0 109.335 179.692 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . 54.37 17.35 1.53 Allowed 'General case' 0 CA--C 1.531 0.238 0 C-N-CA 123.324 0.649 . . . . 0.0 112.204 -174.177 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 89.61 4.66 72.86 Favored Glycine 0 CA--C 1.527 0.81 0 CA-C-O 119.753 -0.47 . . . . 0.0 112.194 -179.111 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 78' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -124.65 132.12 53.43 Favored 'General case' 0 N--CA 1.451 -0.383 0 CA-C-N 117.897 0.849 . . . . 0.0 110.503 -179.531 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 79' ' ' VAL . . . . . . . . . . . . . 47.2 t -64.29 140.08 20.29 Favored 'Isoleucine or valine' 0 N--CA 1.462 0.172 0 C-N-CA 124.492 1.117 . . . . 0.0 110.434 -179.029 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 30.4 mt -94.02 156.65 16.49 Favored 'General case' 0 N--CA 1.458 -0.075 0 CA-C-O 120.938 0.399 . . . . 0.0 111.394 177.509 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 81' ' ' ASP . . . . . . . . . . . . . 56.1 t0 -122.22 97.19 5.36 Favored 'General case' 0 N--CA 1.456 -0.15 0 N-CA-C 107.628 -1.249 . . . . 0.0 107.628 174.365 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 82' ' ' ILE . . . . . . . . . . . . . 67.4 mt -111.15 140.19 31.57 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.39 0 C-N-CA 123.156 0.582 . . . . 0.0 109.739 -171.288 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 83' ' ' ASN . . . . . . . . . . . . . 1.6 t30 -156.15 157.36 35.82 Favored 'General case' 0 N--CA 1.453 -0.31 0 CA-C-O 120.693 0.283 . . . . 0.0 110.785 -172.854 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 84' ' ' LEU . . . . . . . . . . . . . 1.2 tm? -59.58 131.06 49.79 Favored 'General case' 0 N--CA 1.453 -0.282 0 N-CA-C 107.914 -1.143 . . . . 0.0 107.914 172.6 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . -65.76 1.44 1.32 Allowed 'General case' 0 CA--C 1.532 0.288 0 N-CA-C 114.688 1.366 . . . . 0.0 114.688 -172.592 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . -134.77 3.94 3.28 Favored 'General case' 0 N--CA 1.454 -0.233 0 CA-C-N 118.903 0.774 . . . . 0.0 112.775 -177.62 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 73.2 mt-10 -140.91 63.55 19.3 Favored Pre-proline 0 C--O 1.231 0.106 0 N-CA-C 110.036 -0.357 . . . . 0.0 110.036 -179.637 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 88' ' ' PRO . . . . . . . . . . . . . 33.3 Cg_endo -57.33 135.43 70.06 Favored 'Trans proline' 0 N--CA 1.456 -0.696 0 C-N-CA 123.102 2.535 . . . . 0.0 109.514 -179.196 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 89' ' ' LYS . . . . . 0.46 ' HG3' ' H ' ' A' ' 90' ' ' VAL . 3.0 ptpp? -47.04 -65.59 0.54 Allowed 'General case' 0 CA--C 1.529 0.16 0 C-N-CA 124.299 1.04 . . . . 0.0 113.448 -170.738 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 90' ' ' VAL . . . . . 0.46 ' H ' ' HG3' ' A' ' 89' ' ' LYS . 55.4 t -146.91 -42.24 0.11 Allowed 'Isoleucine or valine' 0 CA--C 1.522 -0.099 0 C-N-CA 123.125 0.57 . . . . 0.0 109.515 177.967 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 91' ' ' ASN . . . . . . . . . . . . . 8.1 p30 -144.22 160.7 40.51 Favored 'General case' 0 N--CA 1.447 -0.602 0 N-CA-C 108.425 -0.954 . . . . 0.0 108.425 -178.131 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 92' ' ' ARG . . . . . . . . . . . . . 27.5 ttm180 -80.9 -18.55 46.84 Favored 'General case' 0 N--CA 1.456 -0.169 0 CA-C-O 120.783 0.325 . . . . 0.0 110.906 -179.914 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . 83.57 -58.76 5.01 Favored Glycine 0 CA--C 1.523 0.544 0 C-N-CA 123.468 0.556 . . . . 0.0 112.841 174.55 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 50.8 mtmt 56.7 -1.83 0.05 OUTLIER 'General case' 0 CA--C 1.529 0.155 0 N-CA-C 115.277 1.584 . . . . 0.0 115.277 -178.611 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . -151.14 147.87 27.58 Favored 'General case' 0 N--CA 1.451 -0.406 0 CA-C-N 118.637 0.653 . . . . 0.0 110.191 -178.71 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . -80.5 -9.18 86.77 Favored Glycine 0 CA--C 1.527 0.835 0 N-CA-C 112.235 -0.346 . . . . 0.0 112.235 -178.909 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 97' ' ' VAL . . . . . . . . . . . . . 14.9 p -102.66 138.61 26.26 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.215 0 N-CA-C 109.275 -0.639 . . . . 0.0 109.275 177.965 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 98' ' ' LYS . . . . . . . . . . . . . 72.7 mmtt -117.47 14.42 14.59 Favored 'General case' 0 CA--C 1.529 0.161 0 C-N-CA 123.098 0.559 . . . . 0.0 111.865 -175.526 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 99' ' ' ARG . . . . . . . . . . . . . 83.4 mtt-85 -133.49 174.78 10.04 Favored 'General case' 0 N--CA 1.455 -0.178 0 C-N-CA 124.117 0.967 . . . . 0.0 111.044 -178.247 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 30.8 m -68.82 -10.87 59.26 Favored 'General case' 0 N--CA 1.453 -0.324 0 C-N-CA 123.662 0.785 . . . . 0.0 112.474 -179.08 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 101' ' ' ALA . . . . . . . . . . . . . . . 54.61 11.42 0.44 Allowed 'General case' 0 CA--C 1.534 0.349 0 C-N-CA 124.22 1.008 . . . . 0.0 112.967 -176.362 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -146.13 5.84 0.99 Allowed 'General case' 0 N--CA 1.454 -0.259 0 C-N-CA 123.615 0.766 . . . . 0.0 111.274 179.296 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 12.5 pt-20 -82.26 -2.17 51.72 Favored 'General case' 0 CA--C 1.53 0.183 0 C-N-CA 123.386 0.674 . . . . 0.0 112.014 -177.273 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 104' ' ' MET . . . . . . . . . . . . . 73.6 mtm -110.64 8.55 22.77 Favored 'General case' 0 C--O 1.231 0.125 0 C-N-CA 123.679 0.792 . . . . 0.0 111.68 -178.813 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 105' ' ' TYR . . . . . . . . . . . . . 38.1 m-85 -133.23 5.54 3.81 Favored 'General case' 0 CA--C 1.53 0.179 0 C-N-CA 122.743 0.417 . . . . 0.0 111.749 -177.879 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 106' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--N 1.335 0.517 0 N-CA-C 111.363 -0.695 . . . . 0.0 111.363 179.645 . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' B' B ' 1' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.424 -2.406 1 C5'-C4'-C3' 107.947 -5.035 . 0.0 '__' . 0.0 . . . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 2' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.421 -2.645 1 O4'-C1'-N19 112.852 4.652 . 0.0 OUTLIER '7D dist 4b' 0.0 . . . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' B' B ' 3' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.422 -2.616 0 C5'-C4'-C3' 111.647 -2.568 . 0.125 0b . 0.0 . . . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' B' B ' 4' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.422 -2.571 0 O4'-C1'-N19 112.123 3.923 . 0.182 4b . 0.0 . . . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' B' B ' 5' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.415 -3.134 0 O4'-C1'-N19 112.081 3.881 . 0.592 2h . 0.0 . . . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.474 0.775 0 CA-C-O 119.645 -0.217 . . . . 0.0 111.144 . . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 78.3 p -147.85 -6.18 0.45 Allowed 'General case' 0 N--CA 1.464 0.257 0 N-CA-C 112.514 0.561 . . . . 0.0 112.514 178.378 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 4' ' ' ASN . . . . . . . . . . . . . 64.8 t30 59.08 18.3 6.26 Favored 'General case' 0 CA--C 1.534 0.341 0 C-N-CA 124.213 1.005 . . . . 0.0 112.156 -175.133 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 91.7 t -131.96 134.95 59.35 Favored 'Isoleucine or valine' 0 C--N 1.34 0.194 0 C-N-CA 122.943 0.497 . . . . 0.0 110.09 -179.674 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 68.5 p -147.89 1.25 0.66 Allowed 'General case' 0 CA--C 1.528 0.12 0 N-CA-C 112.251 0.463 . . . . 0.0 112.251 -176.603 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 7' ' ' ASN . . . . . . . . . . . . . 63.1 t-20 -100.39 99.47 10.11 Favored 'General case' 0 N--CA 1.455 -0.197 0 O-C-N 121.41 -0.806 . . . . 0.0 110.886 -175.957 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 8' ' ' LYS . . . . . 0.459 ' HE3' ' HB3' ' A' ' 13' ' ' SER . 51.0 mtmt -144.26 151.96 40.14 Favored 'General case' 0 C--N 1.335 -0.056 0 C-N-CA 124.365 1.066 . . . . 0.0 109.36 176.939 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 62.4 p -124.88 16.73 8.62 Favored 'General case' 0 N--CA 1.462 0.154 0 C-N-CA 122.64 0.376 . . . . 0.0 111.783 -177.304 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 14.1 m-20 -68.97 157.41 89.19 Favored Pre-proline 0 CA--C 1.53 0.195 0 C-N-CA 122.801 0.44 . . . . 0.0 110.423 178.252 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 11' ' ' PRO . . . . . . . . . . . . . 91.4 Cg_exo -51.3 -33.28 44.78 Favored 'Trans proline' 0 N--CA 1.455 -0.748 0 C-N-CA 124.377 3.385 . . . . 0.0 113.954 -172.693 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 55.8 ttt180 -110.54 -33.75 6.5 Favored 'General case' 0 N--CA 1.451 -0.392 0 CA-C-N 116.421 -0.354 . . . . 0.0 111.064 -175.36 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 13' ' ' SER . . . . . 0.459 ' HB3' ' HE3' ' A' ' 8' ' ' LYS . 73.5 m -65.41 -27.21 68.38 Favored 'General case' 0 N--CA 1.457 -0.1 0 CA-C-N 118.318 0.508 . . . . 0.0 111.922 -179.487 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 14' ' ' MET . . . . . . . . . . . . . 15.5 ttm -84.74 -21.72 29.95 Favored 'General case' 0 CA--C 1.532 0.264 0 CA-C-N 118.364 0.529 . . . . 0.0 111.382 178.993 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 59.8 m-80 -97.43 -14.37 21.22 Favored 'General case' 0 CA--C 1.529 0.163 0 CA-C-N 118.221 0.464 . . . . 0.0 111.096 178.943 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 14.6 m -90.85 5.24 49.27 Favored 'General case' 0 N--CA 1.455 -0.191 0 C-N-CA 123.192 0.597 . . . . 0.0 111.114 172.718 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 29.9 ttp-105 -102.07 152.36 21.07 Favored 'General case' 0 C--N 1.341 0.218 0 C-N-CA 123.578 0.751 . . . . 0.0 110.036 179.545 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 79.3 t -128.76 132.74 67.37 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.243 0 C-N-CA 122.962 0.505 . . . . 0.0 109.761 177.449 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 29.8 t80 -94.78 136.17 35.4 Favored 'General case' 0 N--CA 1.452 -0.332 0 C-N-CA 124.001 0.92 . . . . 0.0 109.292 175.934 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 56.8 mt -123.26 85.98 1.0 Allowed 'Isoleucine or valine' 0 N--CA 1.455 -0.194 0 N-CA-C 108.054 -1.091 . . . . 0.0 108.054 -178.452 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -83.93 173.52 50.68 Favored Glycine 0 CA--C 1.525 0.709 0 N-CA-C 110.93 -0.868 . . . . 0.0 110.93 178.125 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 8.9 t30 50.55 42.52 26.81 Favored 'General case' 0 CA--C 1.531 0.225 0 C-N-CA 123.066 0.546 . . . . 0.0 111.097 179.199 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 53.6 tp -94.62 144.42 25.62 Favored 'General case' 0 CA--C 1.532 0.254 0 C-N-CA 123.509 0.724 . . . . 0.0 109.331 179.547 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 64.4 t30 -68.23 -36.97 80.32 Favored 'General case' 0 C--O 1.226 -0.148 0 C-N-CA 120.825 -0.35 . . . . 0.0 111.408 -178.052 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 44.5 p 51.08 8.71 0.04 OUTLIER 'General case' 0 N--CA 1.466 0.364 0 C-N-CA 126.386 1.874 . . . . 0.0 114.998 179.166 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 6.8 mp -103.82 -14.7 15.94 Favored 'General case' 0 C--O 1.23 0.064 0 C-N-CA 123.526 0.73 . . . . 0.0 111.17 176.961 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 58.3 t -127.51 -18.43 2.43 Favored 'Isoleucine or valine' 0 CA--C 1.529 0.171 0 C-N-CA 122.947 0.499 . . . . 0.0 110.54 178.467 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 65.4 t -109.1 143.05 20.03 Favored 'Isoleucine or valine' 0 CA--C 1.528 0.124 0 N-CA-C 109.71 -0.478 . . . . 0.0 109.71 177.706 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -135.81 173.29 11.88 Favored 'General case' 0 N--CA 1.457 -0.111 0 C-N-CA 123.332 0.653 . . . . 0.0 110.105 -177.869 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 3.9 ptmm? -65.59 -5.3 7.81 Favored 'General case' 0 CA--C 1.529 0.15 0 C-N-CA 124.041 0.936 . . . . 0.0 112.451 -179.426 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 54.0 p -97.68 -12.93 21.82 Favored 'General case' 0 CA--C 1.529 0.158 0 C-N-CA 123.654 0.782 . . . . 0.0 110.872 175.573 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 55.1 m-20 -100.89 -35.11 9.52 Favored 'General case' 0 N--CA 1.451 -0.402 0 C-N-CA 124.222 1.009 . . . . 0.0 111.03 178.603 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 71.4 t -63.07 -32.74 57.32 Favored 'Isoleucine or valine' 0 CA--C 1.528 0.097 0 N-CA-C 109.406 -0.59 . . . . 0.0 109.406 179.484 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 24.1 pt-20 -79.81 8.16 7.32 Favored 'General case' 0 CA--C 1.531 0.224 0 N-CA-C 111.979 0.363 . . . . 0.0 111.979 178.955 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -127.07 -7.55 5.98 Favored 'General case' 0 CA--C 1.53 0.193 0 C-N-CA 123.244 0.618 . . . . 0.0 111.426 177.159 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 74.9 mt -109.68 -27.47 2.89 Favored 'Isoleucine or valine' 0 C--O 1.226 -0.133 0 C-N-CA 123.173 0.589 . . . . 0.0 110.704 178.608 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 37' ' ' PHE . . . . . . . . . . . . . 67.5 m-85 -103.01 -9.13 20.05 Favored 'General case' 0 N--CA 1.453 -0.282 0 C-N-CA 122.497 0.319 . . . . 0.0 110.812 179.559 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 22.9 t -74.34 -11.34 60.23 Favored 'General case' 0 CA--C 1.528 0.127 0 CA-C-O 120.796 0.331 . . . . 0.0 111.096 -178.742 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 18.6 ptmt -83.47 -11.57 57.34 Favored 'General case' 0 C--N 1.339 0.151 0 C-N-CA 122.956 0.502 . . . . 0.0 111.942 179.416 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 40' ' ' TYR . . . . . . . . . . . . . 74.1 m-85 -105.17 -16.31 14.82 Favored 'General case' 0 C--O 1.231 0.119 0 C-N-CA 122.532 0.333 . . . . 0.0 111.275 178.267 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -176.37 161.0 29.01 Favored Glycine 0 C--N 1.334 0.445 0 N-CA-C 111.455 -0.658 . . . . 0.0 111.455 174.276 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 56.2 tttp -70.77 116.84 11.55 Favored 'General case' 0 N--CA 1.452 -0.326 0 N-CA-C 108.918 -0.771 . . . . 0.0 108.918 177.747 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 43' ' ' ILE . . . . . . . . . . . . . 74.5 mt -82.95 131.35 33.94 Favored 'Isoleucine or valine' 0 C--N 1.333 -0.141 0 N-CA-C 109.413 -0.588 . . . . 0.0 109.413 -178.941 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 30.6 m -114.32 -2.16 10.18 Favored 'Isoleucine or valine' 0 CA--C 1.523 -0.083 0 C-N-CA 123.899 0.879 . . . . 0.0 110.81 179.46 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . -171.62 148.16 10.77 Favored Glycine 0 CA--C 1.522 0.523 0 N-CA-C 110.131 -1.188 . . . . 0.0 110.131 177.235 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 46' ' ' CYS . . . . . . . . . . . . . 28.4 p -155.63 148.98 24.81 Favored 'General case' 0 N--CA 1.452 -0.366 0 N-CA-C 109.878 -0.416 . . . . 0.0 109.878 -178.704 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 32.8 t -158.78 139.35 12.56 Favored 'General case' 0 N--CA 1.453 -0.317 0 N-CA-C 109.285 -0.635 . . . . 0.0 109.285 176.83 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 48' ' ' VAL . . . . . . . . . . . . . 98.6 t -116.82 150.39 18.83 Favored 'Isoleucine or valine' 0 CA--C 1.519 -0.214 0 N-CA-C 109.13 -0.692 . . . . 0.0 109.13 176.653 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 49' ' ' HIS . . . . . . . . . . . . . 59.0 m-70 -135.8 -165.75 1.75 Allowed 'General case' 0 N--CA 1.45 -0.457 0 N-CA-C 108.113 -1.069 . . . . 0.0 108.113 -178.482 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 75.3 mmtt -89.37 119.33 29.74 Favored 'General case' 0 N--CA 1.455 -0.213 0 CA-C-N 118.379 0.536 . . . . 0.0 109.787 176.182 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 80.89 -10.27 47.97 Favored Glycine 0 CA--C 1.533 1.186 0 CA-C-O 119.44 -0.644 . . . . 0.0 113.775 178.354 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 49.4 p90 -151.44 168.28 25.35 Favored 'General case' 0 CA--C 1.528 0.109 0 CA-C-N 118.496 1.148 . . . . 0.0 111.56 178.879 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -149.26 171.78 15.94 Favored 'General case' 0 N--CA 1.453 -0.289 0 C-N-CA 123.795 0.838 . . . . 0.0 110.138 177.421 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 54' ' ' PHE . . . . . . . . . . . . . 22.8 m-85 -139.27 145.75 39.54 Favored 'General case' 0 N--CA 1.456 -0.127 0 C-N-CA 123.851 0.86 . . . . 0.0 110.602 179.548 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 95.9 t -136.55 140.73 42.78 Favored 'Isoleucine or valine' 0 C--O 1.226 -0.171 0 C-N-CA 123.917 0.887 . . . . 0.0 109.352 178.679 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 56' ' ' GLN . . . . . . . . . . . . . 66.6 tp60 -120.58 134.27 55.3 Favored 'General case' 0 N--CA 1.452 -0.375 0 N-CA-C 109.244 -0.65 . . . . 0.0 109.244 -177.898 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 57' ' ' TYR . . . . . 0.435 ' HH ' ' CB ' ' A' ' 66' ' ' ALA . 49.7 m-85 -115.03 174.38 6.01 Favored 'General case' 0 N--CA 1.455 -0.188 0 C-N-CA 123.142 0.577 . . . . 0.0 110.961 -179.453 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 58' ' ' VAL . . . . . . . . . . . . . 87.2 t -68.75 -31.85 52.51 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.214 0 CA-C-N 116.069 -0.514 . . . . 0.0 110.096 178.235 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 59' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -157.24 168.8 26.36 Favored 'General case' 0 C--O 1.233 0.191 0 N-CA-C 112.312 0.486 . . . . 0.0 112.312 176.846 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 81.1 tt0 -56.48 -31.81 64.39 Favored 'General case' 0 N--CA 1.455 -0.2 0 C-N-CA 124.107 0.963 . . . . 0.0 112.771 -179.352 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 25.7 tpt180 -58.52 -39.55 80.43 Favored 'General case' 0 C--N 1.338 0.094 0 CA-C-N 119.341 0.973 . . . . 0.0 109.969 179.919 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 62' ' ' ASN . . . . . . . . . . . . . 20.0 m120 -71.97 -24.53 61.61 Favored 'General case' 0 N--CA 1.45 -0.438 0 C-N-CA 121.134 -0.226 . . . . 0.0 110.761 -179.733 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -76.74 -37.92 55.12 Favored 'General case' 0 N--CA 1.454 -0.238 0 N-CA-C 110.264 -0.272 . . . . 0.0 110.264 178.409 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 64' ' ' ARG . . . . . . . . . . . . . 40.2 mmt180 -68.22 -25.76 65.37 Favored 'General case' 0 CA--C 1.522 -0.114 0 N-CA-C 110.385 -0.228 . . . . 0.0 110.385 178.054 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -80.33 -33.22 37.63 Favored 'General case' 0 N--CA 1.454 -0.234 0 CA-C-N 117.64 0.2 . . . . 0.0 110.857 -178.958 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 66' ' ' ALA . . . . . 0.435 ' CB ' ' HH ' ' A' ' 57' ' ' TYR . . . -80.72 -35.23 33.75 Favored 'General case' 0 N--CA 1.454 -0.245 0 C-N-CA 121.236 -0.185 . . . . 0.0 111.257 178.935 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 67' ' ' VAL . . . . . . . . . . . . . 45.5 t -64.44 -35.12 73.45 Favored 'Isoleucine or valine' 0 N--CA 1.457 -0.089 0 N-CA-C 110.002 -0.37 . . . . 0.0 110.002 175.605 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -90.61 -10.02 44.87 Favored 'General case' 0 N--CA 1.455 -0.202 0 N-CA-C 112.104 0.409 . . . . 0.0 112.104 179.263 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . -102.87 -13.17 30.23 Favored Glycine 0 CA--C 1.531 1.081 0 CA-C-O 119.032 -0.871 . . . . 0.0 113.741 -177.534 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 42.6 mm-40 -133.46 -20.12 2.1 Favored 'General case' 0 CA--C 1.529 0.158 0 CA-C-N 118.992 1.396 . . . . 0.0 112.376 -173.401 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 24.4 t0 -62.06 116.28 4.8 Favored 'General case' 0 N--CA 1.454 -0.239 0 CA-C-N 118.991 0.814 . . . . 0.0 109.917 178.954 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . 88.92 9.83 67.48 Favored Glycine 0 CA--C 1.524 0.631 0 N-CA-C 111.167 -0.773 . . . . 0.0 111.167 179.862 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 73' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -75.62 169.88 17.25 Favored 'General case' 0 N--CA 1.45 -0.442 0 N-CA-C 106.766 -1.568 . . . . 0.0 106.766 172.05 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 74' ' ' MET . . . . . . . . . . . . . 31.1 ttm -114.81 121.61 43.8 Favored 'General case' 0 N--CA 1.451 -0.397 0 N-CA-C 109.168 -0.678 . . . . 0.0 109.168 -177.287 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 75' ' ' ILE . . . . . . . . . . . . . 0.2 OUTLIER -129.43 136.74 58.64 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.313 0 CA-C-N 116.14 -0.482 . . . . 0.0 109.9 179.525 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . 54.61 18.27 1.98 Allowed 'General case' 0 CA--C 1.533 0.295 0 C-N-CA 123.124 0.57 . . . . 0.0 112.047 -173.564 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 88.1 4.86 77.58 Favored Glycine 0 CA--C 1.528 0.865 0 CA-C-O 119.553 -0.582 . . . . 0.0 112.158 -178.815 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 78' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -125.61 134.59 51.86 Favored 'General case' 0 N--CA 1.451 -0.377 0 CA-C-N 117.889 0.845 . . . . 0.0 110.824 179.918 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 79' ' ' VAL . . . . . . . . . . . . . 59.6 t -61.78 141.36 17.75 Favored 'Isoleucine or valine' 0 N--CA 1.461 0.124 0 C-N-CA 124.781 1.232 . . . . 0.0 110.969 -179.054 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 29.6 mt -97.12 158.0 15.65 Favored 'General case' 0 N--CA 1.456 -0.136 0 CA-C-O 120.793 0.33 . . . . 0.0 111.355 175.444 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 81' ' ' ASP . . . . . . . . . . . . . 34.6 t70 -124.31 101.71 7.31 Favored 'General case' 0 N--CA 1.454 -0.243 0 N-CA-C 108.03 -1.1 . . . . 0.0 108.03 175.858 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 82' ' ' ILE . . . . . . . . . . . . . 61.3 mt -118.75 139.65 45.31 Favored 'Isoleucine or valine' 0 C--O 1.232 0.168 0 C-N-CA 122.84 0.456 . . . . 0.0 110.656 -170.392 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 83' ' ' ASN . . . . . . . . . . . . . 1.2 p-10 -159.3 166.89 30.26 Favored 'General case' 0 N--CA 1.456 -0.15 0 C-N-CA 123.362 0.665 . . . . 0.0 109.897 178.049 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 84' ' ' LEU . . . . . . . . . . . . . 4.8 tp -59.01 145.95 40.02 Favored 'General case' 0 N--CA 1.451 -0.405 0 N-CA-C 109.557 -0.535 . . . . 0.0 109.557 176.348 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . -68.52 0.12 4.42 Favored 'General case' 0 N--CA 1.455 -0.212 0 N-CA-C 113.071 0.767 . . . . 0.0 113.071 -176.53 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . -136.67 5.29 2.88 Favored 'General case' 0 N--CA 1.454 -0.243 0 CA-C-N 118.158 0.436 . . . . 0.0 111.768 179.735 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 95.1 mt-10 -141.4 68.64 26.33 Favored Pre-proline 0 C--O 1.233 0.229 0 N-CA-C 109.481 -0.562 . . . . 0.0 109.481 178.841 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 88' ' ' PRO . . . . . . . . . . . . . 48.5 Cg_endo -62.84 143.79 92.33 Favored 'Trans proline' 0 N--CA 1.448 -1.175 0 C-N-CA 123.01 2.473 . . . . 0.0 108.686 176.713 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 89' ' ' LYS . . . . . 0.42 ' HG3' ' H ' ' A' ' 90' ' ' VAL . 1.3 ptpp? -49.59 -62.86 1.32 Allowed 'General case' 0 CA--C 1.529 0.158 0 N-CA-C 113.502 0.927 . . . . 0.0 113.502 -169.542 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 90' ' ' VAL . . . . . 0.42 ' H ' ' HG3' ' A' ' 89' ' ' LYS . 76.1 t -146.8 -43.43 0.11 Allowed 'Isoleucine or valine' 0 CA--C 1.523 -0.096 0 CA-C-N 117.889 0.313 . . . . 0.0 110.952 -179.003 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 91' ' ' ASN . . . . . . . . . . . . . 8.8 p30 -143.96 2.79 1.2 Allowed 'General case' 0 N--CA 1.456 -0.172 0 N-CA-C 113.61 0.967 . . . . 0.0 113.61 -172.425 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 92' ' ' ARG . . . . . . . . . . . . . 38.0 ttp-105 60.45 -66.84 0.05 OUTLIER 'General case' 0 CA--C 1.528 0.13 0 C-N-CA 124.941 1.296 . . . . 0.0 112.07 -170.236 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . 88.38 169.46 45.02 Favored Glycine 0 CA--C 1.523 0.561 0 C-N-CA 123.439 0.542 . . . . 0.0 111.779 179.096 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 55.6 mtmt -132.82 -2.63 3.28 Favored 'General case' 0 CA--C 1.53 0.199 0 C-N-CA 123.308 0.643 . . . . 0.0 111.543 -178.07 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . -151.96 95.94 2.15 Favored 'General case' 0 N--CA 1.45 -0.436 0 N-CA-C 109.829 -0.434 . . . . 0.0 109.829 -179.146 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . -83.55 -6.55 87.3 Favored Glycine 0 CA--C 1.526 0.733 0 N-CA-C 112.104 -0.399 . . . . 0.0 112.104 -179.188 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 97' ' ' VAL . . . . . . . . . . . . . 48.6 t -121.75 133.92 66.65 Favored 'Isoleucine or valine' 0 N--CA 1.456 -0.13 0 CA-C-N 117.422 0.611 . . . . 0.0 109.653 179.137 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 98' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -140.18 18.77 2.43 Favored 'General case' 0 N--CA 1.455 -0.222 0 C-N-CA 123.805 0.842 . . . . 0.0 111.843 -179.701 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 99' ' ' ARG . . . . . . . . . . . . . 3.0 mpt_? -109.7 173.16 6.45 Favored 'General case' 0 CA--C 1.522 -0.131 0 C-N-CA 123.994 0.918 . . . . 0.0 110.316 179.904 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 45.5 m -68.49 -11.19 59.48 Favored 'General case' 0 N--CA 1.453 -0.278 0 C-N-CA 123.387 0.675 . . . . 0.0 112.135 179.108 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 101' ' ' ALA . . . . . . . . . . . . . . . 52.69 13.41 0.33 Allowed 'General case' 0 CA--C 1.534 0.362 0 C-N-CA 124.316 1.046 . . . . 0.0 112.798 -175.317 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -148.13 7.24 0.8 Allowed 'General case' 0 CA--C 1.532 0.274 0 C-N-CA 123.943 0.897 . . . . 0.0 111.445 -179.742 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 13.0 pt-20 -90.05 -1.39 57.95 Favored 'General case' 0 CA--C 1.531 0.227 0 C-N-CA 123.172 0.589 . . . . 0.0 111.905 -176.732 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 104' ' ' MET . . . . . . . . . . . . . 25.3 ptp -127.19 9.69 6.77 Favored 'General case' 0 N--CA 1.455 -0.197 0 C-N-CA 123.315 0.646 . . . . 0.0 112.621 -175.123 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 105' ' ' TYR . . . . . . . . . . . . . 51.2 m-85 -122.09 -5.89 8.94 Favored 'General case' 0 C--N 1.333 -0.121 0 C-N-CA 122.741 0.416 . . . . 0.0 111.739 179.226 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 106' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--N 1.337 0.639 0 N-CA-C 111.809 -0.517 . . . . 0.0 111.809 179.339 . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' B' B ' 1' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.419 -2.83 0 O4'-C1'-N19 111.388 3.188 . 0.0 '__' . 0.0 . . . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' B' B ' 2' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.423 -2.5 1 O4'-C1'-N19 112.596 4.396 . 0.032 4b . 0.0 . . . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 3' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.418 -2.922 0 C5'-C4'-C3' 111.263 -2.825 . 0.146 0b . 0.0 . . . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' B' B ' 4' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.425 -2.34 1 O4'-C1'-N19 113.331 5.131 . 0.216 4b . 0.0 . . . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 5' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.422 -2.564 0 C5'-C4'-C3' 112.427 -2.049 . 0.055 6d . 0.0 . . . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.475 0.823 0 CA-C-O 120.555 0.216 . . . . 0.0 110.638 . . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 97.7 p -80.19 167.68 20.03 Favored 'General case' 0 N--CA 1.456 -0.158 0 C-N-CA 122.897 0.479 . . . . 0.0 110.996 178.153 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 4' ' ' ASN . . . . . . . . . . . . . 89.9 m-20 -84.58 -1.05 55.35 Favored 'General case' 0 CA--C 1.531 0.218 0 C-N-CA 122.473 0.309 . . . . 0.0 110.872 176.786 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 97.7 t -95.27 132.57 38.94 Favored 'Isoleucine or valine' 0 CA--C 1.521 -0.147 0 C-N-CA 122.861 0.464 . . . . 0.0 111.19 -174.752 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 74.6 p -147.86 12.32 0.99 Allowed 'General case' 0 C--O 1.226 -0.136 0 C-N-CA 123.554 0.742 . . . . 0.0 111.232 -178.259 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 7' ' ' ASN . . . . . . . . . . . . . 45.1 t30 -109.88 33.15 4.57 Favored 'General case' 0 CA--C 1.532 0.273 0 CA-C-N 118.718 0.69 . . . . 0.0 112.502 -174.654 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 56.6 mtmt -73.97 140.74 45.74 Favored 'General case' 0 N--CA 1.456 -0.132 0 N-CA-C 109.205 -0.665 . . . . 0.0 109.205 175.916 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 69.5 p -117.34 14.02 14.64 Favored 'General case' 0 C--N 1.331 -0.23 0 C-N-CA 123.216 0.606 . . . . 0.0 112.542 -172.76 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 10.6 m-20 -67.28 156.78 87.38 Favored Pre-proline 0 N--CA 1.456 -0.174 0 O-C-N 122.175 -0.328 . . . . 0.0 111.193 -179.741 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 11' ' ' PRO . . . . . . . . . . . . . 34.8 Cg_exo -60.52 -5.18 4.0 Favored 'Trans proline' 0 N--CA 1.456 -0.713 0 C-N-CA 124.466 3.444 . . . . 0.0 114.433 -173.364 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -133.46 -28.56 1.45 Allowed 'General case' 0 N--CA 1.457 -0.09 0 C-N-CA 122.852 0.461 . . . . 0.0 110.722 178.961 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 34.7 m -74.75 -19.04 60.39 Favored 'General case' 0 N--CA 1.454 -0.27 0 CA-C-O 119.512 -0.28 . . . . 0.0 111.548 -178.216 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 14' ' ' MET . . . . . . . . . . . . . 14.6 ptm -92.57 -3.17 55.48 Favored 'General case' 0 N--CA 1.454 -0.233 0 CA-C-N 118.48 0.582 . . . . 0.0 112.046 174.37 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 39.1 m-80 -102.26 -21.92 14.25 Favored 'General case' 0 N--CA 1.453 -0.29 0 C-N-CA 122.543 0.337 . . . . 0.0 110.177 176.143 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 77.5 p -84.26 6.22 23.67 Favored 'General case' 0 N--CA 1.455 -0.219 0 C-N-CA 123.043 0.537 . . . . 0.0 111.005 172.67 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 28.3 ttp-105 -101.42 153.56 19.57 Favored 'General case' 0 N--CA 1.456 -0.164 0 C-N-CA 123.52 0.728 . . . . 0.0 110.217 177.773 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 61.5 t -127.56 130.79 70.52 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.405 0 C-N-CA 123.189 0.596 . . . . 0.0 109.828 177.669 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 18.4 t80 -90.1 131.59 35.88 Favored 'General case' 0 N--CA 1.452 -0.349 0 C-N-CA 124.372 1.069 . . . . 0.0 109.145 175.559 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 57.1 mt -121.8 84.77 0.88 Allowed 'Isoleucine or valine' 0 CA--C 1.521 -0.143 0 N-CA-C 108.053 -1.092 . . . . 0.0 108.053 -179.965 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -86.65 175.36 47.18 Favored Glycine 0 CA--C 1.522 0.512 0 N-CA-C 111.308 -0.717 . . . . 0.0 111.308 178.365 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 6.6 t30 51.0 42.99 29.1 Favored 'General case' 0 CA--C 1.533 0.308 0 C-N-CA 123.095 0.558 . . . . 0.0 110.706 179.908 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 59.5 tp -97.56 146.72 24.99 Favored 'General case' 0 N--CA 1.455 -0.187 0 C-N-CA 123.731 0.812 . . . . 0.0 109.317 -179.459 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 63.7 t30 -68.86 -37.17 78.91 Favored 'General case' 0 CA--C 1.529 0.166 0 O-C-N 122.292 -0.255 . . . . 0.0 111.199 -177.972 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 63.0 p 51.17 9.13 0.05 Allowed 'General case' 0 N--CA 1.466 0.373 0 C-N-CA 126.335 1.854 . . . . 0.0 114.956 179.112 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 6.7 mp -102.44 -14.8 16.71 Favored 'General case' 0 CA--C 1.53 0.186 0 C-N-CA 123.707 0.803 . . . . 0.0 111.319 176.494 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 60.9 t -128.9 -21.66 1.54 Allowed 'Isoleucine or valine' 0 CA--C 1.528 0.115 0 C-N-CA 122.761 0.425 . . . . 0.0 110.479 178.977 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 90.5 t -101.89 136.76 32.39 Favored 'Isoleucine or valine' 0 C--N 1.34 0.17 0 N-CA-C 110.078 -0.341 . . . . 0.0 110.078 177.506 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 3.6 mppt? -130.32 172.04 12.28 Favored 'General case' 0 N--CA 1.456 -0.157 0 C-N-CA 124.255 1.022 . . . . 0.0 109.059 -179.363 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 6.0 ptmm? -64.89 -8.0 13.67 Favored 'General case' 0 CA--C 1.529 0.135 0 C-N-CA 123.529 0.732 . . . . 0.0 111.99 -179.804 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 31.9 m -96.06 -2.94 45.7 Favored 'General case' 0 CA--C 1.529 0.139 0 C-N-CA 123.213 0.605 . . . . 0.0 110.653 176.31 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 42.1 m-20 -110.64 -36.39 5.74 Favored 'General case' 0 N--CA 1.451 -0.411 0 C-N-CA 124.19 0.996 . . . . 0.0 109.682 178.552 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 92.9 t -62.19 -31.63 52.11 Favored 'Isoleucine or valine' 0 N--CA 1.456 -0.163 0 N-CA-C 109.757 -0.46 . . . . 0.0 109.757 178.083 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 23.5 pt-20 -79.33 4.97 13.65 Favored 'General case' 0 CA--C 1.531 0.238 0 N-CA-C 112.125 0.417 . . . . 0.0 112.125 178.744 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -124.87 -7.03 7.28 Favored 'General case' 0 N--CA 1.455 -0.19 0 C-N-CA 123.183 0.593 . . . . 0.0 111.054 177.22 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 76.5 mt -111.42 -27.91 2.71 Favored 'Isoleucine or valine' 0 N--CA 1.457 -0.091 0 C-N-CA 122.954 0.502 . . . . 0.0 110.989 179.338 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 37' ' ' PHE . . . . . . . . . . . . . 71.0 m-85 -104.87 -6.26 20.36 Favored 'General case' 0 N--CA 1.451 -0.409 0 C-N-CA 122.619 0.367 . . . . 0.0 111.202 179.215 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 23.8 t -77.24 -10.44 59.42 Favored 'General case' 0 CA--C 1.531 0.216 0 O-C-N 122.184 -0.322 . . . . 0.0 111.007 -179.869 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 13.5 ptmm? -84.09 -11.5 56.57 Favored 'General case' 0 CA--C 1.527 0.096 0 C-N-CA 122.979 0.512 . . . . 0.0 112.305 178.914 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 40' ' ' TYR . . . . . . . . . . . . . 64.0 m-85 -107.18 -15.56 14.63 Favored 'General case' 0 C--O 1.233 0.236 0 C-N-CA 122.409 0.284 . . . . 0.0 111.302 178.383 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -173.92 164.26 35.58 Favored Glycine 0 CA--C 1.523 0.534 0 N-CA-C 112.045 -0.422 . . . . 0.0 112.045 175.156 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 78.3 tttt -75.73 113.26 12.99 Favored 'General case' 0 N--CA 1.452 -0.332 0 N-CA-C 109.11 -0.7 . . . . 0.0 109.11 177.922 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 43' ' ' ILE . . . . . . . . . . . . . 73.7 mt -82.59 127.26 39.82 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.295 0 N-CA-C 109.722 -0.473 . . . . 0.0 109.722 -178.445 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 34.6 m -107.76 -12.04 10.58 Favored 'Isoleucine or valine' 0 C--O 1.23 0.045 0 C-N-CA 123.179 0.592 . . . . 0.0 110.523 179.546 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . -164.08 147.72 13.35 Favored Glycine 0 CA--C 1.523 0.561 0 N-CA-C 110.094 -1.203 . . . . 0.0 110.094 179.043 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 46' ' ' CYS . . . . . . . . . . . . . 31.9 p -153.6 149.05 27.2 Favored 'General case' 0 N--CA 1.452 -0.372 0 CA-C-N 116.959 0.379 . . . . 0.0 110.402 179.742 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 32.6 t -156.61 135.46 11.77 Favored 'General case' 0 N--CA 1.452 -0.374 0 N-CA-C 110.107 -0.331 . . . . 0.0 110.107 177.201 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 48' ' ' VAL . . . . . . . . . . . . . 80.1 t -110.78 148.01 14.47 Favored 'Isoleucine or valine' 0 N--CA 1.456 -0.174 0 N-CA-C 109.573 -0.529 . . . . 0.0 109.573 176.116 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 49' ' ' HIS . . . . . . . . . . . . . 54.9 m-70 -132.44 -164.83 1.51 Allowed 'General case' 0 N--CA 1.453 -0.279 0 N-CA-C 108.004 -1.11 . . . . 0.0 108.004 -178.103 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 75.4 mmtt -92.63 118.86 31.48 Favored 'General case' 0 N--CA 1.457 -0.123 0 N-CA-C 109.64 -0.504 . . . . 0.0 109.64 176.513 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 81.11 -8.85 56.6 Favored Glycine 0 CA--C 1.529 0.948 0 C-N-CA 123.681 0.658 . . . . 0.0 113.525 179.3 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 45.8 p90 -153.06 168.51 25.65 Favored 'General case' 0 C--N 1.339 0.136 0 CA-C-N 118.521 1.16 . . . . 0.0 111.556 178.252 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -147.69 171.84 15.01 Favored 'General case' 0 CA--C 1.53 0.21 0 C-N-CA 124.031 0.932 . . . . 0.0 110.032 176.748 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 54' ' ' PHE . . . . . . . . . . . . . 10.6 m-85 -139.57 145.25 38.38 Favored 'General case' 0 N--CA 1.453 -0.303 0 C-N-CA 123.89 0.876 . . . . 0.0 110.405 179.729 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 87.5 t -135.88 137.5 48.88 Favored 'Isoleucine or valine' 0 CA--C 1.517 -0.326 0 C-N-CA 123.592 0.757 . . . . 0.0 109.148 178.737 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 56' ' ' GLN . . . . . . . . . . . . . 63.0 tp60 -117.09 128.7 55.4 Favored 'General case' 0 N--CA 1.451 -0.394 0 N-CA-C 109.443 -0.576 . . . . 0.0 109.443 -176.907 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 57' ' ' TYR . . . . . . . . . . . . . 41.9 m-85 -110.85 177.2 4.74 Favored 'General case' 0 N--CA 1.455 -0.209 0 C-N-CA 123.533 0.733 . . . . 0.0 110.671 179.721 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 58' ' ' VAL . . . . . . . . . . . . . 53.3 t -73.33 -31.72 34.87 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.275 0 CA-C-N 116.367 -0.379 . . . . 0.0 110.561 178.188 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 59' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -153.64 168.58 25.74 Favored 'General case' 0 N--CA 1.453 -0.318 0 CA-C-O 121.395 0.616 . . . . 0.0 112.647 179.105 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 74.2 tt0 -59.83 -28.84 67.82 Favored 'General case' 0 CA--C 1.529 0.151 0 C-N-CA 124.354 1.061 . . . . 0.0 112.377 -177.415 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 26.3 tpt180 -63.03 -39.76 95.71 Favored 'General case' 0 C--N 1.339 0.11 0 CA-C-N 118.538 0.608 . . . . 0.0 110.159 179.217 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 62' ' ' ASN . . . . . . . . . . . . . 19.8 m120 -69.69 -27.13 64.75 Favored 'General case' 0 N--CA 1.451 -0.409 0 C-N-CA 120.648 -0.421 . . . . 0.0 110.762 -179.56 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -71.44 -40.58 70.29 Favored 'General case' 0 N--CA 1.453 -0.321 0 N-CA-C 110.164 -0.309 . . . . 0.0 110.164 178.628 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 64' ' ' ARG . . . . . . . . . . . . . 93.4 mtt-85 -72.75 -21.25 61.05 Favored 'General case' 0 CA--C 1.523 -0.087 0 C-N-CA 121.193 -0.203 . . . . 0.0 111.357 -178.118 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -78.88 -32.46 45.86 Favored 'General case' 0 N--CA 1.452 -0.331 0 N-CA-C 110.242 -0.281 . . . . 0.0 110.242 177.924 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -83.33 -33.73 25.83 Favored 'General case' 0 N--CA 1.454 -0.265 0 O-C-N 122.356 -0.215 . . . . 0.0 110.95 178.52 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 67' ' ' VAL . . . . . . . . . . . . . 49.0 t -65.39 -30.9 51.64 Favored 'Isoleucine or valine' 0 C--O 1.227 -0.104 0 N-CA-C 110.216 -0.29 . . . . 0.0 110.216 175.127 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -95.3 -10.73 29.37 Favored 'General case' 0 CA--C 1.53 0.202 0 N-CA-C 112.049 0.389 . . . . 0.0 112.049 177.934 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . -101.08 -13.56 33.4 Favored Glycine 0 CA--C 1.53 0.994 0 CA-C-O 119.208 -0.773 . . . . 0.0 113.814 -177.012 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 46.2 mm-40 -134.05 -19.07 2.02 Favored 'General case' 0 N--CA 1.463 0.185 0 CA-C-N 118.455 1.127 . . . . 0.0 112.545 -173.948 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 21.3 t70 -61.44 117.57 5.86 Favored 'General case' 0 C--O 1.233 0.193 0 O-C-N 121.193 -0.942 . . . . 0.0 110.336 178.628 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . 88.38 9.01 70.27 Favored Glycine 0 C--N 1.337 0.585 0 N-CA-C 111.11 -0.796 . . . . 0.0 111.11 179.283 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 73' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -75.36 169.75 17.44 Favored 'General case' 0 N--CA 1.45 -0.425 0 N-CA-C 106.457 -1.683 . . . . 0.0 106.457 172.229 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 74' ' ' MET . . . . . . . . . . . . . 31.4 ttm -114.94 121.97 44.83 Favored 'General case' 0 N--CA 1.448 -0.528 0 N-CA-C 109.388 -0.597 . . . . 0.0 109.388 -177.718 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 75' ' ' ILE . . . . . . . . . . . . . 0.2 OUTLIER -129.48 136.79 58.49 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.299 0 CA-C-N 115.982 -0.554 . . . . 0.0 109.934 179.956 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . 54.5 18.41 1.96 Allowed 'General case' 0 CA--C 1.53 0.192 0 C-N-CA 123.037 0.535 . . . . 0.0 112.081 -173.496 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 88.4 4.54 76.9 Favored Glycine 0 CA--C 1.525 0.658 0 CA-C-O 119.583 -0.565 . . . . 0.0 112.202 -178.858 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 78' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -125.46 135.07 51.94 Favored 'General case' 0 N--CA 1.451 -0.417 0 CA-C-N 117.923 0.862 . . . . 0.0 110.751 -179.712 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 79' ' ' VAL . . . . . . . . . . . . . 70.2 t -63.09 140.99 18.72 Favored 'Isoleucine or valine' 0 C--O 1.227 -0.117 0 C-N-CA 124.832 1.253 . . . . 0.0 111.099 -179.054 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 28.6 mt -96.54 157.33 15.95 Favored 'General case' 0 CA--C 1.527 0.094 0 CA-C-O 120.798 0.332 . . . . 0.0 111.437 175.762 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 81' ' ' ASP . . . . . . . . . . . . . 30.0 t70 -125.74 101.42 6.86 Favored 'General case' 0 N--CA 1.451 -0.388 0 N-CA-C 107.491 -1.3 . . . . 0.0 107.491 175.226 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 82' ' ' ILE . . . . . . . . . . . . . 63.3 mt -114.41 140.07 37.12 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.236 0 C-N-CA 123.238 0.615 . . . . 0.0 109.733 -169.906 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 83' ' ' ASN . . . . . . . . . . . . . 2.1 t30 -151.51 154.21 36.07 Favored 'General case' 0 N--CA 1.453 -0.278 0 C-N-CA 122.105 0.162 . . . . 0.0 111.037 -173.784 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 84' ' ' LEU . . . . . . . . . . . . . 1.4 tm? -60.32 129.85 43.7 Favored 'General case' 0 CA--C 1.531 0.241 0 N-CA-C 108.417 -0.957 . . . . 0.0 108.417 172.872 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . -66.87 0.71 2.28 Favored 'General case' 0 CA--C 1.533 0.294 0 N-CA-C 114.328 1.233 . . . . 0.0 114.328 -171.845 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . -130.52 4.05 4.64 Favored 'General case' 0 CA--C 1.529 0.149 0 CA-C-N 118.749 0.704 . . . . 0.0 112.135 -177.585 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 57.3 mt-10 -140.35 63.6 22.86 Favored Pre-proline 0 CA--C 1.529 0.161 0 N-CA-C 109.952 -0.388 . . . . 0.0 109.952 179.399 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 88' ' ' PRO . . . . . . . . . . . . . 31.2 Cg_endo -57.44 146.61 82.53 Favored 'Trans proline' 0 N--CA 1.455 -0.788 0 C-N-CA 123.415 2.744 . . . . 0.0 109.98 -178.977 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 89' ' ' LYS . . . . . 0.402 ' HG3' ' H ' ' A' ' 90' ' ' VAL . 12.7 ptpt -61.0 -78.49 0.03 OUTLIER 'General case' 0 CA--C 1.529 0.16 0 C-N-CA 123.255 0.622 . . . . 0.0 112.389 -171.977 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 90' ' ' VAL . . . . . 0.402 ' H ' ' HG3' ' A' ' 89' ' ' LYS . 46.2 t -145.8 -44.05 0.12 Allowed 'Isoleucine or valine' 0 C--N 1.339 0.122 0 N-CA-C 112.583 0.586 . . . . 0.0 112.583 -179.542 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 91' ' ' ASN . . . . . 0.487 ' C ' ' H ' ' A' ' 93' ' ' GLY . 44.8 m-80 -130.21 1.36 4.67 Favored 'General case' 0 C--N 1.339 0.139 0 N-CA-C 113.046 0.758 . . . . 0.0 113.046 -173.697 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 92' ' ' ARG . . . . . . . . . . . . . 29.8 ttm180 62.25 -32.85 0.1 Allowed 'General case' 0 CA--C 1.534 0.34 0 C-N-CA 125.365 1.466 . . . . 0.0 113.111 -171.049 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 93' ' ' GLY . . . . . 0.487 ' H ' ' C ' ' A' ' 91' ' ' ASN . . . 76.52 175.13 40.04 Favored Glycine 0 CA--C 1.526 0.743 0 N-CA-C 111.411 -0.676 . . . . 0.0 111.411 -178.679 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 27.9 ttpp -144.81 -31.41 0.43 Allowed 'General case' 0 N--CA 1.454 -0.227 0 C-N-CA 122.651 0.381 . . . . 0.0 111.577 179.084 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . -158.3 159.82 36.35 Favored 'General case' 0 N--CA 1.451 -0.386 0 C-N-CA 122.76 0.424 . . . . 0.0 110.431 179.781 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . -79.16 -7.7 88.3 Favored Glycine 0 CA--C 1.527 0.842 0 N-CA-C 111.415 -0.674 . . . . 0.0 111.415 175.598 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 97' ' ' VAL . . . . . . . . . . . . . 60.5 t -86.85 139.5 17.24 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.295 0 N-CA-C 109.504 -0.554 . . . . 0.0 109.504 179.445 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 98' ' ' LYS . . . . . . . . . . . . . 35.3 mmtp -122.19 21.32 10.46 Favored 'General case' 0 CA--C 1.529 0.153 0 C-N-CA 123.627 0.771 . . . . 0.0 111.806 -175.626 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 99' ' ' ARG . . . . . . . . . . . . . 32.7 ptt180 -129.01 173.89 10.03 Favored 'General case' 0 N--CA 1.458 -0.068 0 C-N-CA 124.022 0.929 . . . . 0.0 111.44 -179.286 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 75.2 m -61.72 -16.23 47.45 Favored 'General case' 0 N--CA 1.454 -0.247 0 C-N-CA 123.784 0.834 . . . . 0.0 111.576 176.864 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 101' ' ' ALA . . . . . . . . . . . . . . . 54.17 14.37 0.73 Allowed 'General case' 0 CA--C 1.537 0.475 0 C-N-CA 124.904 1.281 . . . . 0.0 112.354 -176.632 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -142.29 12.05 1.96 Allowed 'General case' 0 N--CA 1.453 -0.307 0 C-N-CA 123.92 0.888 . . . . 0.0 110.357 -179.864 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 20.4 pt-20 -67.89 -8.09 33.69 Favored 'General case' 0 CA--C 1.529 0.157 0 C-N-CA 123.1 0.56 . . . . 0.0 112.025 -177.25 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 104' ' ' MET . . . . . . . . . . . . . 70.6 mtm -103.18 0.84 32.32 Favored 'General case' 0 N--CA 1.453 -0.289 0 C-N-CA 123.564 0.746 . . . . 0.0 111.417 -178.643 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 105' ' ' TYR . . . . . . . . . . . . . 37.2 m-85 -133.24 1.67 3.51 Favored 'General case' 0 C--O 1.233 0.185 0 C-N-CA 122.726 0.41 . . . . 0.0 111.942 -176.677 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 106' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.526 0.735 0 N-CA-C 111.343 -0.703 . . . . 0.0 111.343 179.931 . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' B' B ' 1' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.422 -2.57 0 O4'-C1'-N19 111.585 3.385 . 0.0 '__' . 0.0 . . . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' B' B ' 2' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.421 -2.692 1 O4'-C1'-N19 112.479 4.279 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' B' B ' 3' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.418 -2.937 0 O4'-C1'-N19 110.975 2.775 . 0.408 0b . 0.0 . . . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' B' B ' 4' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.423 -2.52 1 O4'-C1'-N19 112.421 4.221 . 0.181 4b . 0.0 . . . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 5' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.423 -2.465 1 O4'-C1'-N19 113.476 5.276 . 0.719 2u . 0.0 . . . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.474 0.763 0 CA-C-O 119.572 -0.251 . . . . 0.0 111.058 . . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 55.9 m -145.36 -1.09 0.83 Allowed 'General case' 0 CA--C 1.533 0.317 0 N-CA-C 112.441 0.534 . . . . 0.0 112.441 -179.28 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 4' ' ' ASN . . . . . . . . . . . . . 52.3 t30 55.57 27.75 10.86 Favored 'General case' 0 CA--C 1.532 0.283 0 C-N-CA 124.094 0.958 . . . . 0.0 112.648 -178.827 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 87.5 t -136.57 135.35 49.05 Favored 'Isoleucine or valine' 0 C--N 1.338 0.091 0 N-CA-C 109.656 -0.498 . . . . 0.0 109.656 179.352 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 74.0 p -147.6 5.45 0.8 Allowed 'General case' 0 C--N 1.339 0.11 0 N-CA-C 112.274 0.472 . . . . 0.0 112.274 -177.847 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 7' ' ' ASN . . . . . . . . . . . . . 60.2 t-20 -107.0 97.84 7.57 Favored 'General case' 0 N--CA 1.454 -0.228 0 CA-C-N 119.012 0.824 . . . . 0.0 111.512 -176.185 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 57.8 mtmt -142.47 147.97 36.94 Favored 'General case' 0 N--CA 1.457 -0.123 0 C-N-CA 124.725 1.21 . . . . 0.0 108.514 175.25 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 77.6 p -119.58 15.51 12.83 Favored 'General case' 0 C--N 1.334 -0.082 0 N-CA-C 112.309 0.485 . . . . 0.0 112.309 -173.309 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 13.4 m-20 -64.94 151.81 92.38 Favored Pre-proline 0 CA--C 1.533 0.293 0 N-CA-C 109.978 -0.378 . . . . 0.0 109.978 178.373 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 11' ' ' PRO . . . . . . . . . . . . . 73.1 Cg_endo -67.1 1.98 2.51 Favored 'Trans proline' 0 N--CA 1.455 -0.768 0 C-N-CA 124.248 3.298 . . . . 0.0 113.087 -174.396 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -131.88 -30.65 1.58 Allowed 'General case' 0 CA--C 1.526 0.056 0 C-N-CA 122.655 0.382 . . . . 0.0 110.583 177.11 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 19.6 m -78.63 -20.38 50.49 Favored 'General case' 0 N--CA 1.455 -0.22 0 CA-C-O 119.275 -0.393 . . . . 0.0 111.889 -177.887 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 14' ' ' MET . . . . . . . . . . . . . 12.6 ptm -92.46 -4.53 53.52 Favored 'General case' 0 N--CA 1.455 -0.178 0 CA-C-N 118.915 0.78 . . . . 0.0 111.564 175.239 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 69.9 m-80 -100.15 -21.39 15.56 Favored 'General case' 0 N--CA 1.454 -0.265 0 C-N-CA 122.786 0.434 . . . . 0.0 110.193 175.251 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 78.3 p -85.62 6.11 28.85 Favored 'General case' 0 N--CA 1.454 -0.251 0 C-N-CA 122.873 0.469 . . . . 0.0 111.305 171.841 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 29.9 ttp-105 -102.67 152.99 20.56 Favored 'General case' 0 N--CA 1.456 -0.131 0 C-N-CA 123.335 0.654 . . . . 0.0 109.915 177.797 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 65.5 t -126.95 131.24 71.15 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.387 0 C-N-CA 123.017 0.527 . . . . 0.0 109.809 178.354 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 30.2 t80 -90.59 134.14 34.6 Favored 'General case' 0 N--CA 1.45 -0.432 0 CA-C-N 115.495 -0.775 . . . . 0.0 109.27 174.862 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 65.1 mt -121.05 85.92 0.97 Allowed 'Isoleucine or valine' 0 N--CA 1.456 -0.166 0 N-CA-C 107.923 -1.139 . . . . 0.0 107.923 -179.767 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -84.46 173.27 49.58 Favored Glycine 0 CA--C 1.523 0.592 0 N-CA-C 111.194 -0.763 . . . . 0.0 111.194 178.387 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 57.3 t30 48.23 48.23 18.86 Favored 'General case' 0 N--CA 1.455 -0.214 0 C-N-CA 123.489 0.716 . . . . 0.0 110.728 -178.437 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 52.2 tp -97.19 144.31 27.14 Favored 'General case' 0 N--CA 1.456 -0.16 0 C-N-CA 123.006 0.522 . . . . 0.0 109.635 179.175 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 63.4 t30 -68.12 -39.11 82.83 Favored 'General case' 0 C--N 1.34 0.16 0 C-N-CA 120.966 -0.294 . . . . 0.0 111.266 -178.473 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 35.5 p 54.63 3.24 0.05 OUTLIER 'General case' 0 N--CA 1.465 0.302 0 C-N-CA 126.28 1.832 . . . . 0.0 115.103 178.655 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 8.1 mp -95.74 -15.63 22.48 Favored 'General case' 0 N--CA 1.454 -0.225 0 C-N-CA 123.311 0.644 . . . . 0.0 111.503 176.284 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 60.1 t -128.15 -22.82 1.56 Allowed 'Isoleucine or valine' 0 N--CA 1.461 0.118 0 C-N-CA 122.815 0.446 . . . . 0.0 110.77 178.94 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 71.0 t -102.54 136.13 36.38 Favored 'Isoleucine or valine' 0 CA--C 1.522 -0.115 0 N-CA-C 109.97 -0.382 . . . . 0.0 109.97 178.396 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 3.6 mppt? -129.82 172.49 11.61 Favored 'General case' 0 N--CA 1.456 -0.148 0 C-N-CA 124.085 0.954 . . . . 0.0 109.413 -179.189 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 11.0 ptmt -66.25 -4.8 8.5 Favored 'General case' 0 C--N 1.333 -0.148 0 C-N-CA 123.696 0.798 . . . . 0.0 112.197 179.664 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 34.2 m -97.89 -0.97 44.01 Favored 'General case' 0 CA--C 1.53 0.2 0 C-N-CA 123.596 0.758 . . . . 0.0 110.732 174.451 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 38.5 m-20 -115.17 -34.63 4.95 Favored 'General case' 0 N--CA 1.453 -0.277 0 C-N-CA 124.015 0.926 . . . . 0.0 110.421 -179.573 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 94.0 t -65.33 -30.48 50.36 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.227 0 N-CA-C 108.917 -0.771 . . . . 0.0 108.917 179.844 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 25.7 pt-20 -80.21 7.06 10.15 Favored 'General case' 0 CA--C 1.531 0.226 0 C-N-CA 122.638 0.375 . . . . 0.0 111.927 178.623 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -125.48 -8.13 6.9 Favored 'General case' 0 CA--C 1.531 0.22 0 C-N-CA 123.222 0.609 . . . . 0.0 110.886 176.664 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 70.5 mt -109.57 -27.83 2.82 Favored 'Isoleucine or valine' 0 C--N 1.34 0.18 0 C-N-CA 123.141 0.577 . . . . 0.0 110.832 178.43 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 37' ' ' PHE . . . . . . . . . . . . . 64.2 m-85 -103.79 -5.48 22.4 Favored 'General case' 0 N--CA 1.455 -0.195 0 C-N-CA 122.587 0.355 . . . . 0.0 111.063 179.747 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 70.0 p -75.47 -14.83 60.45 Favored 'General case' 0 N--CA 1.457 -0.105 0 C-N-CA 122.51 0.324 . . . . 0.0 111.638 -179.985 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 18.6 ptmt -82.35 -11.28 58.68 Favored 'General case' 0 N--CA 1.457 -0.109 0 C-N-CA 123.198 0.599 . . . . 0.0 112.313 179.252 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 40' ' ' TYR . . . . . . . . . . . . . 74.5 m-85 -106.46 -14.55 15.04 Favored 'General case' 0 C--N 1.34 0.172 0 C-N-CA 122.524 0.33 . . . . 0.0 111.292 178.172 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -176.08 162.77 31.88 Favored Glycine 0 CA--C 1.523 0.584 0 N-CA-C 112.43 -0.268 . . . . 0.0 112.43 174.702 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 78.1 tttt -74.76 114.15 12.86 Favored 'General case' 0 N--CA 1.451 -0.381 0 N-CA-C 109.013 -0.736 . . . . 0.0 109.013 177.998 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 43' ' ' ILE . . . . . . . . . . . . . 77.8 mt -82.89 129.59 37.17 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.211 0 N-CA-C 109.848 -0.427 . . . . 0.0 109.848 -177.861 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 33.8 m -114.8 3.9 7.79 Favored 'Isoleucine or valine' 0 C--O 1.231 0.084 0 C-N-CA 123.902 0.881 . . . . 0.0 110.702 179.5 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . -178.72 145.42 6.78 Favored Glycine 0 C--N 1.336 0.536 0 N-CA-C 109.818 -1.313 . . . . 0.0 109.818 177.048 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 46' ' ' CYS . . . . . . . . . . . . . 53.9 t -156.28 146.17 21.16 Favored 'General case' 0 N--CA 1.452 -0.356 0 N-CA-C 109.503 -0.555 . . . . 0.0 109.503 178.23 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 24.4 t -154.37 142.66 20.48 Favored 'General case' 0 N--CA 1.451 -0.424 0 N-CA-C 109.836 -0.431 . . . . 0.0 109.836 175.446 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 48' ' ' VAL . . . . . . . . . . . . . 97.3 t -114.7 146.71 18.82 Favored 'Isoleucine or valine' 0 N--CA 1.456 -0.13 0 N-CA-C 109.176 -0.676 . . . . 0.0 109.176 178.109 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 49' ' ' HIS . . . . . . . . . . . . . 47.4 m-70 -132.59 -169.07 2.17 Favored 'General case' 0 N--CA 1.451 -0.422 0 C-N-CA 124.383 1.073 . . . . 0.0 108.26 -177.23 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 60.4 tttm -87.31 116.84 25.68 Favored 'General case' 0 N--CA 1.452 -0.343 0 C-N-CA 120.72 -0.392 . . . . 0.0 109.976 178.808 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 81.58 -9.93 53.15 Favored Glycine 0 CA--C 1.532 1.143 0 CA-C-O 118.907 -0.94 . . . . 0.0 113.537 179.174 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 52.5 p90 -151.01 168.41 24.67 Favored 'General case' 0 CA--C 1.529 0.166 0 CA-C-N 118.906 1.353 . . . . 0.0 111.404 179.077 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -147.77 172.07 14.68 Favored 'General case' 0 N--CA 1.454 -0.227 0 C-N-CA 123.739 0.816 . . . . 0.0 110.341 176.317 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 54' ' ' PHE . . . . . . . . . . . . . 16.5 m-85 -139.31 146.42 40.3 Favored 'General case' 0 N--CA 1.456 -0.172 0 C-N-CA 123.299 0.639 . . . . 0.0 110.948 179.23 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 93.2 t -136.21 136.23 49.38 Favored 'Isoleucine or valine' 0 CA--C 1.516 -0.346 0 C-N-CA 123.608 0.763 . . . . 0.0 109.126 178.179 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 56' ' ' GLN . . . . . . . . . . . . . 63.9 tp60 -115.66 129.47 56.5 Favored 'General case' 0 N--CA 1.45 -0.456 0 N-CA-C 109.168 -0.678 . . . . 0.0 109.168 -177.339 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 57' ' ' TYR . . . . . . . . . . . . . 38.0 m-85 -111.49 176.03 5.19 Favored 'General case' 0 N--CA 1.455 -0.206 0 C-N-CA 123.334 0.654 . . . . 0.0 110.894 179.642 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 58' ' ' VAL . . . . . . . . . . . . . 72.1 t -71.82 -31.53 41.52 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.193 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.448 178.787 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 59' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -155.56 169.3 24.6 Favored 'General case' 0 C--N 1.339 0.142 0 N-CA-C 112.405 0.52 . . . . 0.0 112.405 178.911 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 75.9 tt0 -59.58 -31.08 69.12 Favored 'General case' 0 N--CA 1.457 -0.117 0 C-N-CA 123.393 0.677 . . . . 0.0 112.103 -177.795 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 19.3 tpp180 -59.32 -39.14 82.15 Favored 'General case' 0 C--O 1.231 0.082 0 CA-C-N 118.92 0.782 . . . . 0.0 110.11 -179.553 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 62' ' ' ASN . . . . . . . . . . . . . 18.6 m120 -70.74 -25.49 62.94 Favored 'General case' 0 N--CA 1.452 -0.349 0 O-C-N 122.254 -0.279 . . . . 0.0 111.04 -179.968 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -74.54 -37.17 63.09 Favored 'General case' 0 N--CA 1.452 -0.372 0 N-CA-C 110.285 -0.265 . . . . 0.0 110.285 178.27 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 64' ' ' ARG . . . . . . . . . . . . . 37.2 mmt180 -69.28 -26.49 64.77 Favored 'General case' 0 C--O 1.227 -0.082 0 N-CA-C 110.515 -0.18 . . . . 0.0 110.515 178.899 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -78.7 -33.0 47.17 Favored 'General case' 0 N--CA 1.454 -0.239 0 C-N-CA 121.481 -0.088 . . . . 0.0 111.119 -179.275 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -83.31 -34.29 25.73 Favored 'General case' 0 N--CA 1.452 -0.353 0 O-C-N 122.221 -0.299 . . . . 0.0 111.536 179.418 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 67' ' ' VAL . . . . . . . . . . . . . 54.4 t -65.75 -31.47 53.91 Favored 'Isoleucine or valine' 0 C--O 1.227 -0.1 0 N-CA-C 109.794 -0.447 . . . . 0.0 109.794 175.483 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -94.1 -10.26 33.91 Favored 'General case' 0 CA--C 1.529 0.169 0 N-CA-C 112.414 0.524 . . . . 0.0 112.414 177.635 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . -102.63 -12.87 31.59 Favored Glycine 0 CA--C 1.533 1.204 0 CA-C-O 119.292 -0.727 . . . . 0.0 113.969 -177.401 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 25.5 mm-40 -134.16 -19.52 1.96 Allowed 'General case' 0 CA--C 1.53 0.199 0 CA-C-N 118.514 1.157 . . . . 0.0 112.32 -174.561 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 20.5 t70 -61.41 117.23 5.41 Favored 'General case' 0 N--CA 1.455 -0.214 0 CA-C-N 119.209 0.913 . . . . 0.0 110.039 178.23 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . 88.02 10.18 69.54 Favored Glycine 0 C--N 1.338 0.683 0 N-CA-C 111.012 -0.835 . . . . 0.0 111.012 178.826 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 73' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -76.78 168.44 20.08 Favored 'General case' 0 N--CA 1.449 -0.51 0 N-CA-C 106.359 -1.719 . . . . 0.0 106.359 171.848 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 74' ' ' MET . . . . . . . . . . . . . 33.7 ttm -113.48 121.91 45.7 Favored 'General case' 0 N--CA 1.448 -0.556 0 N-CA-C 109.477 -0.564 . . . . 0.0 109.477 -176.784 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 75' ' ' ILE . . . . . . . . . . . . . 0.3 OUTLIER -129.03 135.88 61.01 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.39 0 CA-C-N 116.111 -0.495 . . . . 0.0 109.85 179.918 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . 54.57 17.53 1.68 Allowed 'General case' 0 CA--C 1.536 0.425 0 N-CA-C 112.158 0.429 . . . . 0.0 112.158 -174.136 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 88.86 5.01 74.61 Favored Glycine 0 CA--C 1.528 0.872 0 CA-C-O 119.684 -0.509 . . . . 0.0 112.193 -179.122 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 78' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -124.49 132.03 53.49 Favored 'General case' 0 N--CA 1.45 -0.448 0 CA-C-N 117.864 0.832 . . . . 0.0 110.206 -179.192 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 79' ' ' VAL . . . . . . . . . . . . . 47.4 t -64.0 141.3 18.35 Favored 'Isoleucine or valine' 0 C--O 1.228 -0.068 0 C-N-CA 124.199 1.0 . . . . 0.0 110.41 -178.726 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 32.4 mt -95.65 156.18 16.43 Favored 'General case' 0 C--O 1.233 0.202 0 CA-C-O 120.648 0.261 . . . . 0.0 111.593 176.867 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 81' ' ' ASP . . . . . . . . . . . . . 4.3 m-20 -124.37 96.97 5.11 Favored 'General case' 0 N--CA 1.455 -0.217 0 N-CA-C 107.608 -1.256 . . . . 0.0 107.608 176.833 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 82' ' ' ILE . . . . . . . . . . . . . 63.9 mt -112.07 141.79 26.46 Favored 'Isoleucine or valine' 0 C--O 1.231 0.12 0 C-N-CA 123.467 0.707 . . . . 0.0 110.106 -170.268 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 83' ' ' ASN . . . . . . . . . . . . . 54.3 t30 -154.46 158.11 39.43 Favored 'General case' 0 N--CA 1.455 -0.212 0 CA-C-N 116.562 -0.29 . . . . 0.0 111.167 -175.334 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 84' ' ' LEU . . . . . . . . . . . . . 1.2 tm? -60.67 128.43 36.54 Favored 'General case' 0 N--CA 1.449 -0.49 0 N-CA-C 107.972 -1.121 . . . . 0.0 107.972 172.871 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . -64.42 1.17 0.83 Allowed 'General case' 0 CA--C 1.532 0.277 0 N-CA-C 114.302 1.223 . . . . 0.0 114.302 -172.063 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . -129.42 10.16 5.67 Favored 'General case' 0 N--CA 1.455 -0.205 0 CA-C-N 118.736 0.698 . . . . 0.0 111.99 -177.737 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 97.2 mt-10 -138.42 57.1 11.36 Favored Pre-proline 0 CA--C 1.531 0.22 0 CA-C-O 119.169 -0.444 . . . . 0.0 111.801 -177.748 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 88' ' ' PRO . . . . . . . . . . . . . 52.0 Cg_endo -61.9 134.28 49.13 Favored 'Trans proline' 0 N--CA 1.45 -1.049 0 C-N-CA 122.022 1.815 . . . . 0.0 107.778 176.311 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 89' ' ' LYS . . . . . 0.541 ' HG3' ' H ' ' A' ' 90' ' ' VAL . 6.2 ptpp? -139.07 -68.38 0.44 Allowed 'General case' 0 CA--C 1.53 0.2 0 N-CA-C 113.914 1.079 . . . . 0.0 113.914 -169.254 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 90' ' ' VAL . . . . . 0.541 ' H ' ' HG3' ' A' ' 89' ' ' LYS . 59.5 t -141.37 -30.02 0.21 Allowed 'Isoleucine or valine' 0 C--N 1.335 -0.056 0 C-N-CA 123.095 0.558 . . . . 0.0 111.499 -172.861 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 91' ' ' ASN . . . . . . . . . . . . . 33.8 m-80 -88.09 20.87 2.96 Favored 'General case' 0 N--CA 1.455 -0.188 0 C-N-CA 122.815 0.446 . . . . 0.0 111.84 -176.268 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 92' ' ' ARG . . . . . . . . . . . . . 68.1 ttp85 -115.26 128.71 56.31 Favored 'General case' 0 N--CA 1.448 -0.531 0 N-CA-C 108.775 -0.824 . . . . 0.0 108.775 175.709 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . -166.15 -152.11 7.08 Favored Glycine 0 CA--C 1.519 0.343 0 N-CA-C 107.267 -2.333 . . . . 0.0 107.267 178.731 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 68.1 mttm -135.3 -22.98 1.5 Allowed 'General case' 0 C--N 1.334 -0.098 0 CA-C-N 118.437 1.119 . . . . 0.0 111.72 175.034 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . -165.84 177.87 6.89 Favored 'General case' 0 N--CA 1.452 -0.362 0 C-N-CA 122.843 0.457 . . . . 0.0 109.97 178.583 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . -68.69 -10.88 61.72 Favored Glycine 0 CA--C 1.528 0.879 0 N-CA-C 111.508 -0.637 . . . . 0.0 111.508 175.933 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 97' ' ' VAL . . . . . . . . . . . . . 8.6 p -105.04 128.53 58.77 Favored 'Isoleucine or valine' 0 N--CA 1.456 -0.174 0 N-CA-C 108.722 -0.844 . . . . 0.0 108.722 174.296 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 98' ' ' LYS . . . . . . . . . . . . . 4.2 mptp? -102.53 22.9 12.75 Favored 'General case' 0 CA--C 1.53 0.197 0 C-N-CA 123.393 0.677 . . . . 0.0 111.423 -173.265 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 99' ' ' ARG . . . . . . . . . . . . . 63.2 mtt85 -120.75 170.35 9.53 Favored 'General case' 0 CA--C 1.52 -0.189 0 C-N-CA 123.946 0.898 . . . . 0.0 110.818 178.419 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 7.8 t -71.03 -11.78 61.16 Favored 'General case' 0 N--CA 1.453 -0.307 0 CA-C-N 115.968 -0.56 . . . . 0.0 111.497 -176.793 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 101' ' ' ALA . . . . . . . . . . . . . . . 55.02 9.31 0.3 Allowed 'General case' 0 CA--C 1.533 0.326 0 C-N-CA 124.458 1.103 . . . . 0.0 113.153 -175.064 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -148.32 8.19 0.81 Allowed 'General case' 0 CA--C 1.532 0.262 0 C-N-CA 123.469 0.708 . . . . 0.0 111.274 178.668 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 12.0 pt-20 -72.81 -5.53 38.67 Favored 'General case' 0 CA--C 1.528 0.134 0 C-N-CA 123.386 0.674 . . . . 0.0 112.369 -177.237 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 104' ' ' MET . . . . . . . . . . . . . 71.3 mtm -101.86 6.31 41.43 Favored 'General case' 0 N--CA 1.454 -0.254 0 C-N-CA 123.485 0.714 . . . . 0.0 111.118 178.84 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 105' ' ' TYR . . . . . . . . . . . . . 50.0 m-85 -133.87 4.8 3.58 Favored 'General case' 0 CA--C 1.532 0.265 0 C-N-CA 123.019 0.527 . . . . 0.0 111.381 -178.019 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 106' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.528 0.844 0 N-CA-C 111.01 -0.836 . . . . 0.0 111.01 179.833 . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' B' B ' 1' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.419 -2.846 2 O4'-C1'-N19 112.424 4.224 . 0.0 '__' . 0.0 . . . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 2' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.419 -2.844 1 O4'-C1'-N19 112.265 4.065 . 0.01 4b . 0.0 . . . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 3' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.421 -2.667 0 O4'-C1'-N19 111.173 2.973 . 0.201 0b . 0.0 . . . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' B' B ' 4' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.422 -2.571 1 O4'-C1'-N19 112.414 4.214 . 0.176 4b . 0.0 . . . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 5' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.418 -2.919 1 O4'-C1'-N19 113.111 4.911 . 0.22 2u . 0.0 . . . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.473 0.71 0 CA-C-O 120.436 0.16 . . . . 0.0 110.793 . . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 46.7 m -68.88 159.86 31.75 Favored 'General case' 0 CA--C 1.528 0.103 0 C-N-CA 122.945 0.498 . . . . 0.0 111.312 -179.487 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 4' ' ' ASN . . . . . . . . . . . . . 55.7 t30 -84.28 -0.74 53.54 Favored 'General case' 0 CA--C 1.533 0.318 0 C-N-CA 123.252 0.621 . . . . 0.0 110.987 -179.131 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 86.8 t -92.36 132.83 35.62 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.194 0 C-N-CA 122.855 0.462 . . . . 0.0 111.393 -175.322 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 56.7 p -146.53 5.54 0.93 Allowed 'General case' 0 C--O 1.227 -0.127 0 C-N-CA 123.62 0.768 . . . . 0.0 111.584 179.169 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 7' ' ' ASN . . . . . . . . . . . . . 64.8 t-20 -110.31 100.47 9.33 Favored 'General case' 0 N--CA 1.455 -0.182 0 CA-C-N 119.214 0.916 . . . . 0.0 110.927 -178.228 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 54.9 mtmt -143.59 147.14 33.94 Favored 'General case' 0 C--O 1.232 0.162 0 C-N-CA 124.306 1.043 . . . . 0.0 109.014 175.472 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 60.5 p -116.66 15.98 15.44 Favored 'General case' 0 C--O 1.234 0.24 0 C-N-CA 122.779 0.432 . . . . 0.0 111.879 -175.055 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 11.8 m-20 -62.8 150.98 85.99 Favored Pre-proline 0 CA--C 1.531 0.245 0 N-CA-C 110.143 -0.317 . . . . 0.0 110.143 177.47 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 11' ' ' PRO . . . . . . . . . . . . . 67.4 Cg_endo -67.05 1.69 2.69 Favored 'Trans proline' 0 N--CA 1.456 -0.69 0 C-N-CA 124.316 3.344 . . . . 0.0 113.353 -173.446 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 2.7 tmm_? -130.91 -36.13 1.37 Allowed 'General case' 0 C--O 1.226 -0.163 0 O-C-N 121.978 -0.451 . . . . 0.0 110.485 178.17 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 24.3 m -71.57 -27.57 63.24 Favored 'General case' 0 C--O 1.228 -0.059 0 O-C-N 121.97 -0.456 . . . . 0.0 111.397 -179.052 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 14' ' ' MET . . . . . . . . . . . . . 17.3 ttm -76.59 -21.66 55.28 Favored 'General case' 0 N--CA 1.455 -0.224 0 CA-C-N 118.055 0.389 . . . . 0.0 110.617 176.985 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 26.3 m-80 -92.92 -14.74 27.17 Favored 'General case' 0 CA--C 1.531 0.22 0 O-C-N 122.365 -0.209 . . . . 0.0 110.604 178.096 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 14.6 m -93.43 8.13 41.79 Favored 'General case' 0 N--CA 1.455 -0.183 0 C-N-CA 123.63 0.772 . . . . 0.0 111.654 175.435 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 27.7 ttp-105 -105.18 152.61 22.62 Favored 'General case' 0 C--N 1.338 0.093 0 C-N-CA 123.607 0.763 . . . . 0.0 110.375 -179.445 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 60.0 t -128.89 132.51 67.4 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.344 0 C-N-CA 123.214 0.606 . . . . 0.0 109.99 177.532 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 19' ' ' PHE . . . . . 0.411 ' CD2' ' C5 ' ' B' ' 2' ' ' ' U' . 64.7 t80 -92.76 138.38 31.54 Favored 'General case' 0 N--CA 1.45 -0.458 0 C-N-CA 123.73 0.812 . . . . 0.0 109.61 174.114 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 57.8 mt -123.77 83.4 0.82 Allowed 'Isoleucine or valine' 0 N--CA 1.454 -0.228 0 N-CA-C 107.824 -1.176 . . . . 0.0 107.824 179.023 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -85.61 176.59 49.68 Favored Glycine 0 CA--C 1.524 0.615 0 N-CA-C 110.074 -1.211 . . . . 0.0 110.074 177.481 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 22' ' ' ASN . . . . . 0.573 ' HA ' ' C2 ' ' B' ' 1' ' ' ' U' . 54.0 t30 48.81 46.45 21.8 Favored 'General case' 0 N--CA 1.45 -0.472 0 C-N-CA 123.282 0.633 . . . . 0.0 110.341 -176.678 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 57.2 tp -100.33 145.58 27.98 Favored 'General case' 0 N--CA 1.456 -0.155 0 C-N-CA 123.468 0.707 . . . . 0.0 109.554 -179.977 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 24' ' ' ASN . . . . . 0.418 ' C ' ' H ' ' A' ' 26' ' ' LEU . 65.0 t30 -71.45 -38.65 71.29 Favored 'General case' 0 CA--C 1.53 0.196 0 O-C-N 122.326 -0.234 . . . . 0.0 111.199 -177.294 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 46.9 p 53.99 -1.74 0.02 OUTLIER 'General case' 0 N--CA 1.467 0.402 0 C-N-CA 127.195 2.198 . . . . 0.0 115.339 178.725 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 26' ' ' LEU . . . . . 0.418 ' H ' ' C ' ' A' ' 24' ' ' ASN . 87.2 mt -87.27 -20.86 26.25 Favored 'General case' 0 N--CA 1.451 -0.394 0 C-N-CA 123.368 0.667 . . . . 0.0 111.743 175.064 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 60.6 t -121.66 -25.57 2.33 Favored 'Isoleucine or valine' 0 CA--C 1.528 0.117 0 CA-C-O 119.475 -0.297 . . . . 0.0 111.44 -179.158 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 49.6 t -101.64 145.6 11.33 Favored 'Isoleucine or valine' 0 N--CA 1.457 -0.077 0 CA-C-N 118.363 0.528 . . . . 0.0 110.246 178.979 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 8.2 mptt -134.88 173.14 12.03 Favored 'General case' 0 N--CA 1.46 0.031 0 C-N-CA 123.302 0.641 . . . . 0.0 110.154 -178.4 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 10.8 ptmt -68.1 -5.27 16.85 Favored 'General case' 0 CA--C 1.528 0.122 0 C-N-CA 123.443 0.697 . . . . 0.0 112.079 178.857 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 37.2 m -97.83 0.63 47.1 Favored 'General case' 0 C--N 1.332 -0.169 0 C-N-CA 123.734 0.814 . . . . 0.0 110.549 174.036 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 19.8 m-20 -117.93 -33.66 4.4 Favored 'General case' 0 N--CA 1.453 -0.323 0 C-N-CA 123.754 0.821 . . . . 0.0 110.486 179.983 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 85.9 t -64.69 -31.21 52.77 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.192 0 N-CA-C 108.938 -0.764 . . . . 0.0 108.938 178.695 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 25.9 pt-20 -79.65 7.83 7.68 Favored 'General case' 0 CA--C 1.532 0.266 0 N-CA-C 111.913 0.338 . . . . 0.0 111.913 178.381 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -126.09 -8.21 6.54 Favored 'General case' 0 N--CA 1.451 -0.382 0 C-N-CA 123.252 0.621 . . . . 0.0 110.715 176.736 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 77.9 mt -109.98 -27.68 2.83 Favored 'Isoleucine or valine' 0 CA--C 1.529 0.14 0 C-N-CA 123.311 0.644 . . . . 0.0 110.622 179.052 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 37' ' ' PHE . . . . . . . . . . . . . 60.8 m-85 -103.87 -5.79 22.0 Favored 'General case' 0 N--CA 1.454 -0.243 0 C-N-CA 122.808 0.443 . . . . 0.0 111.132 179.501 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 69.9 p -75.98 -13.73 60.24 Favored 'General case' 0 C--O 1.232 0.173 0 C-N-CA 122.457 0.303 . . . . 0.0 111.51 -179.976 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 13.1 ptmm? -83.64 -9.91 58.57 Favored 'General case' 0 CA--C 1.53 0.177 0 C-N-CA 123.124 0.569 . . . . 0.0 112.182 179.35 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 40' ' ' TYR . . . . . . . . . . . . . 84.0 m-85 -106.25 -14.89 14.99 Favored 'General case' 0 C--N 1.338 0.094 0 C-N-CA 122.718 0.407 . . . . 0.0 111.177 177.207 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -176.82 162.73 31.27 Favored Glycine 0 CA--C 1.524 0.595 0 N-CA-C 111.852 -0.499 . . . . 0.0 111.852 174.451 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 78.4 tttt -74.07 113.84 11.71 Favored 'General case' 0 N--CA 1.454 -0.231 0 N-CA-C 108.875 -0.787 . . . . 0.0 108.875 177.859 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 43' ' ' ILE . . . . . . . . . . . . . 73.1 mt -82.98 130.16 36.2 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.236 0 N-CA-C 109.87 -0.419 . . . . 0.0 109.87 -178.378 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 33.5 m -109.07 -5.28 10.86 Favored 'Isoleucine or valine' 0 N--CA 1.457 -0.082 0 C-N-CA 123.443 0.697 . . . . 0.0 110.907 179.302 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . -173.9 146.51 8.79 Favored Glycine 0 C--N 1.336 0.538 0 N-CA-C 109.884 -1.287 . . . . 0.0 109.884 177.097 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 46' ' ' CYS . . . . . . . . . . . . . 53.9 t -152.98 145.26 23.96 Favored 'General case' 0 N--CA 1.452 -0.369 0 C-N-CA 122.638 0.375 . . . . 0.0 110.086 179.404 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 27.1 t -151.41 142.6 23.24 Favored 'General case' 0 N--CA 1.45 -0.45 0 N-CA-C 109.867 -0.42 . . . . 0.0 109.867 176.676 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 48' ' ' VAL . . . . . . . . . . . . . 99.3 t -118.93 146.25 23.82 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.34 0 N-CA-C 108.881 -0.785 . . . . 0.0 108.881 177.92 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 49' ' ' HIS . . . . . . . . . . . . . 45.7 m-70 -132.13 -167.55 1.9 Allowed 'General case' 0 N--CA 1.452 -0.342 0 N-CA-C 107.901 -1.148 . . . . 0.0 107.901 -176.789 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 30.8 mmmt -85.47 117.63 24.5 Favored 'General case' 0 N--CA 1.455 -0.197 0 C-N-CA 120.326 -0.55 . . . . 0.0 109.674 177.257 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 79.51 -11.19 33.23 Favored Glycine 0 CA--C 1.532 1.13 0 C-N-CA 123.769 0.7 . . . . 0.0 113.898 177.769 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 49.8 p90 -146.66 165.56 29.21 Favored 'General case' 0 CA--C 1.529 0.158 0 CA-C-N 118.802 1.301 . . . . 0.0 111.584 178.83 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -147.71 171.04 16.27 Favored 'General case' 0 CA--C 1.53 0.184 0 C-N-CA 123.416 0.686 . . . . 0.0 110.8 177.374 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 54' ' ' PHE . . . . . . . . . . . . . 13.8 m-85 -139.14 147.93 42.55 Favored 'General case' 0 N--CA 1.454 -0.256 0 C-N-CA 123.987 0.915 . . . . 0.0 110.848 -179.647 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 97.7 t -137.99 138.09 44.05 Favored 'Isoleucine or valine' 0 CA--C 1.52 -0.188 0 C-N-CA 123.748 0.819 . . . . 0.0 109.11 177.819 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 56' ' ' GLN . . . . . . . . . . . . . 69.4 tp60 -117.88 132.3 56.44 Favored 'General case' 0 N--CA 1.452 -0.352 0 N-CA-C 109.096 -0.705 . . . . 0.0 109.096 -178.792 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 57' ' ' TYR . . . . . . . . . . . . . 42.8 m-85 -113.54 173.94 6.17 Favored 'General case' 0 N--CA 1.454 -0.242 0 C-N-CA 123.318 0.647 . . . . 0.0 111.129 -179.405 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 58' ' ' VAL . . . . . . . . . . . . . 74.2 t -70.28 -30.86 44.99 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.24 0 C-N-CA 123.02 0.528 . . . . 0.0 110.489 178.337 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 59' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -156.27 166.3 33.84 Favored 'General case' 0 N--CA 1.455 -0.189 0 CA-C-N 118.088 0.403 . . . . 0.0 112.019 177.024 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 83.5 tt0 -55.47 -32.09 62.52 Favored 'General case' 0 CA--C 1.529 0.171 0 C-N-CA 123.711 0.805 . . . . 0.0 112.575 -179.713 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 20.3 tpp85 -59.54 -38.19 80.4 Favored 'General case' 0 C--O 1.231 0.085 0 CA-C-N 119.008 0.822 . . . . 0.0 110.305 -179.108 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 62' ' ' ASN . . . . . . . . . . . . . 18.8 m120 -72.05 -25.0 61.62 Favored 'General case' 0 N--CA 1.451 -0.399 0 O-C-N 122.13 -0.356 . . . . 0.0 111.012 179.767 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -75.15 -37.26 61.39 Favored 'General case' 0 N--CA 1.453 -0.287 0 N-CA-C 110.069 -0.345 . . . . 0.0 110.069 178.136 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 64' ' ' ARG . . . . . . . . . . . . . 40.4 mmt180 -69.26 -26.33 64.71 Favored 'General case' 0 N--CA 1.457 -0.093 0 N-CA-C 110.157 -0.312 . . . . 0.0 110.157 178.758 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -78.15 -32.84 50.5 Favored 'General case' 0 N--CA 1.454 -0.248 0 CA-C-O 119.992 -0.051 . . . . 0.0 110.904 -179.431 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -83.03 -35.27 25.91 Favored 'General case' 0 N--CA 1.451 -0.418 0 O-C-N 122.197 -0.315 . . . . 0.0 111.489 179.114 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 67' ' ' VAL . . . . . . . . . . . . . 51.7 t -64.72 -30.49 50.43 Favored 'Isoleucine or valine' 0 C--O 1.227 -0.102 0 O-C-N 122.013 -0.429 . . . . 0.0 109.979 175.375 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -96.07 -9.49 30.74 Favored 'General case' 0 CA--C 1.531 0.213 0 N-CA-C 112.4 0.519 . . . . 0.0 112.4 178.027 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . -103.0 -13.74 28.44 Favored Glycine 0 CA--C 1.532 1.098 0 CA-C-O 119.308 -0.718 . . . . 0.0 113.744 -177.538 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 26.4 mm-40 -133.12 -18.85 2.27 Favored 'General case' 0 N--CA 1.465 0.286 0 CA-C-N 118.368 1.084 . . . . 0.0 112.318 -174.441 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 23.7 t70 -62.14 118.25 7.11 Favored 'General case' 0 N--CA 1.453 -0.275 0 CA-C-N 118.964 0.802 . . . . 0.0 109.653 178.485 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . 87.53 10.08 71.1 Favored Glycine 0 C--N 1.338 0.67 0 N-CA-C 111.101 -0.8 . . . . 0.0 111.101 179.235 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 73' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -76.93 168.34 20.26 Favored 'General case' 0 N--CA 1.45 -0.473 0 N-CA-C 106.328 -1.73 . . . . 0.0 106.328 171.628 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 74' ' ' MET . . . . . . . . . . . . . 35.9 ttm -114.18 121.87 45.08 Favored 'General case' 0 N--CA 1.45 -0.448 0 N-CA-C 109.263 -0.643 . . . . 0.0 109.263 -175.95 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 75' ' ' ILE . . . . . . . . . . . . . 0.2 OUTLIER -129.87 136.14 59.61 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.388 0 N-CA-C 109.539 -0.541 . . . . 0.0 109.539 179.624 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . 54.3 17.9 1.67 Allowed 'General case' 0 CA--C 1.533 0.319 0 C-N-CA 123.449 0.699 . . . . 0.0 111.91 -174.134 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 89.18 4.0 75.05 Favored Glycine 0 CA--C 1.526 0.765 0 C-N-CA 123.216 0.436 . . . . 0.0 112.066 -179.562 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 78' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -123.26 130.86 53.32 Favored 'General case' 0 N--CA 1.451 -0.392 0 CA-C-N 117.699 0.75 . . . . 0.0 109.905 -179.087 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 79' ' ' VAL . . . . . . . . . . . . . 48.1 t -63.6 139.87 20.59 Favored 'Isoleucine or valine' 0 CA--C 1.522 -0.102 0 C-N-CA 124.15 0.98 . . . . 0.0 110.278 -179.336 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 31.2 mt -94.22 155.72 16.9 Favored 'General case' 0 C--O 1.231 0.095 0 CA-C-O 120.846 0.355 . . . . 0.0 111.356 177.567 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 81' ' ' ASP . . . . . . . . . . . . . 27.9 m-20 -124.38 101.51 7.2 Favored 'General case' 0 N--CA 1.453 -0.314 0 N-CA-C 107.632 -1.247 . . . . 0.0 107.632 174.881 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 82' ' ' ILE . . . . . . . . . . . . . 61.4 mt -114.16 138.48 43.95 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.344 0 CA-C-N 115.537 -0.756 . . . . 0.0 109.454 -170.195 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 83' ' ' ASN . . . . . . . . . . . . . 8.1 t30 -155.53 158.61 38.75 Favored 'General case' 0 N--CA 1.454 -0.238 0 N-CA-C 109.427 -0.583 . . . . 0.0 109.427 -174.754 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 84' ' ' LEU . . . . . . . . . . . . . 7.1 tp -60.6 142.58 55.35 Favored 'General case' 0 N--CA 1.451 -0.408 0 N-CA-C 109.4 -0.592 . . . . 0.0 109.4 174.688 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . -66.69 -0.75 3.11 Favored 'General case' 0 CA--C 1.533 0.314 0 N-CA-C 113.732 1.012 . . . . 0.0 113.732 -175.861 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . -132.74 15.38 4.36 Favored 'General case' 0 CA--C 1.53 0.189 0 CA-C-N 118.476 0.58 . . . . 0.0 112.308 -176.976 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 87' ' ' GLU . . . . . 0.4 ' N ' ' CD ' ' A' ' 88' ' ' PRO . 95.6 mt-10 -135.73 43.8 0.96 Allowed Pre-proline 0 CA--C 1.533 0.302 0 CA-C-O 119.086 -0.483 . . . . 0.0 111.925 179.511 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 88' ' ' PRO . . . . . 0.4 ' CD ' ' N ' ' A' ' 87' ' ' GLU . 42.2 Cg_endo -60.59 149.12 88.71 Favored 'Trans proline' 0 N--CA 1.45 -1.05 0 C-N-CA 122.682 2.255 . . . . 0.0 109.737 -177.482 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 89' ' ' LYS . . . . . 0.483 ' HG3' ' H ' ' A' ' 90' ' ' VAL . 3.9 ptpp? -138.4 -87.72 0.24 Allowed 'General case' 0 N--CA 1.456 -0.155 0 N-CA-C 112.907 0.706 . . . . 0.0 112.907 -171.689 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 90' ' ' VAL . . . . . 0.483 ' H ' ' HG3' ' A' ' 89' ' ' LYS . 55.9 t -137.04 -29.04 0.4 Allowed 'Isoleucine or valine' 0 C--O 1.231 0.081 0 N-CA-C 112.423 0.527 . . . . 0.0 112.423 -172.73 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 91' ' ' ASN . . . . . . . . . . . . . 24.6 m-80 -83.57 6.59 20.03 Favored 'General case' 0 CA--C 1.532 0.254 0 N-CA-C 112.845 0.683 . . . . 0.0 112.845 -172.691 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 92' ' ' ARG . . . . . 0.482 ' C ' ' H ' ' A' ' 94' ' ' LYS . 3.3 ppt_? -114.26 25.29 11.21 Favored 'General case' 0 CA--C 1.53 0.208 0 C-N-CA 122.958 0.503 . . . . 0.0 110.519 175.721 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . -69.47 24.59 0.36 Allowed Glycine 0 C--N 1.339 0.695 0 C-N-CA 124.877 1.227 . . . . 0.0 113.699 -176.113 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 94' ' ' LYS . . . . . 0.482 ' H ' ' C ' ' A' ' 92' ' ' ARG . 91.0 mttt 60.49 -7.53 0.08 Allowed 'General case' 0 N--CA 1.457 -0.104 0 C-N-CA 125.984 1.713 . . . . 0.0 115.316 178.98 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . -158.39 158.29 33.95 Favored 'General case' 0 N--CA 1.447 -0.59 0 CA-C-N 118.625 0.648 . . . . 0.0 111.385 179.374 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . -125.9 -3.06 7.1 Favored Glycine 0 CA--C 1.525 0.716 0 N-CA-C 111.095 -0.802 . . . . 0.0 111.095 177.268 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 97' ' ' VAL . . . . . . . . . . . . . 39.2 t -90.03 141.84 13.78 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.252 0 CA-C-N 117.544 0.672 . . . . 0.0 109.416 179.522 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 98' ' ' LYS . . . . . 0.536 ' HA ' ' HE2' ' A' ' 98' ' ' LYS . 10.7 mmpt? -83.49 17.96 2.01 Favored 'General case' 0 CA--C 1.53 0.21 0 C-N-CA 123.519 0.727 . . . . 0.0 112.481 -177.84 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 99' ' ' ARG . . . . . . . . . . . . . 10.9 tpt180 -147.38 171.08 16.03 Favored 'General case' 0 N--CA 1.456 -0.149 0 C-N-CA 123.486 0.714 . . . . 0.0 109.471 -177.954 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 73.8 m -63.01 -16.41 59.71 Favored 'General case' 0 CA--C 1.527 0.094 0 C-N-CA 123.17 0.588 . . . . 0.0 112.07 179.112 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 101' ' ' ALA . . . . . . . . . . . . . . . 51.8 16.67 0.52 Allowed 'General case' 0 CA--C 1.535 0.394 0 C-N-CA 123.91 0.884 . . . . 0.0 112.694 -176.493 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -148.68 8.33 0.77 Allowed 'General case' 0 N--CA 1.455 -0.198 0 C-N-CA 123.13 0.572 . . . . 0.0 111.609 -177.889 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 16.7 pt-20 -74.6 -2.91 28.11 Favored 'General case' 0 CA--C 1.531 0.24 0 N-CA-C 112.643 0.608 . . . . 0.0 112.643 -176.098 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 104' ' ' MET . . . . . . . . . . . . . 25.3 ptp -126.79 8.88 6.91 Favored 'General case' 0 CA--C 1.532 0.272 0 C-N-CA 123.145 0.578 . . . . 0.0 112.431 -176.894 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 105' ' ' TYR . . . . . . . . . . . . . 38.7 m-85 -124.26 -9.34 7.56 Favored 'General case' 0 CA--C 1.527 0.093 0 C-N-CA 122.64 0.376 . . . . 0.0 111.466 179.494 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 106' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.526 0.761 0 N-CA-C 111.468 -0.653 . . . . 0.0 111.468 179.337 . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' B' B ' 1' ' ' ' U' . . . . . 0.573 ' C2 ' ' HA ' ' A' ' 22' ' ' ASN . . . . . . . . 0 O4'--C4' 1.416 -3.107 3 O4'-C1'-N19 114.49 6.29 OUTLIER-DELTA 0.0 '__' . 0.0 . . . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' B' B ' 2' ' ' ' U' . . . . . 0.458 " H4'" " H5'" ' B' ' 3' ' ' ' U' . . . . . . . . 0 O4'--C4' 1.417 -2.997 1 C5'-C4'-C3' 109.456 -4.029 . 0.15 4b . 0.0 . . . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' B' B ' 3' ' ' ' U' . . . . . 0.458 " H5'" " H4'" ' B' ' 2' ' ' ' U' . . . . . . . . 0 O4'--C4' 1.42 -2.713 0 C5'-C4'-C3' 110.765 -3.157 . 0.327 0b . 0.0 . . . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 4' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.423 -2.539 1 O4'-C1'-N19 112.842 4.642 . 0.164 4b . 0.0 . . . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 5' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.419 -2.864 0 O4'-C1'-N19 111.975 3.775 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.474 0.733 0 CA-C-O 120.381 0.134 . . . . 0.0 110.871 . . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 37.5 t -67.77 157.69 34.15 Favored 'General case' 0 C--O 1.226 -0.163 0 C-N-CA 122.93 0.492 . . . . 0.0 110.589 178.475 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 4' ' ' ASN . . . . . . . . . . . . . 3.8 p-10 -84.9 0.54 50.73 Favored 'General case' 0 CA--C 1.531 0.239 0 C-N-CA 123.107 0.563 . . . . 0.0 111.419 179.167 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 99.6 t -97.55 135.91 30.25 Favored 'Isoleucine or valine' 0 C--O 1.232 0.149 0 C-N-CA 122.731 0.412 . . . . 0.0 111.25 -176.38 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 76.5 p -147.2 5.09 0.83 Allowed 'General case' 0 CA--C 1.53 0.21 0 C-N-CA 123.671 0.788 . . . . 0.0 111.47 179.191 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 7' ' ' ASN . . . . . . . . . . . . . 61.5 t-20 -107.05 98.88 8.48 Favored 'General case' 0 N--CA 1.454 -0.26 0 O-C-N 121.324 -0.86 . . . . 0.0 111.025 -177.391 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 57.9 mtmt -142.42 148.27 37.53 Favored 'General case' 0 C--O 1.231 0.102 0 C-N-CA 124.631 1.172 . . . . 0.0 108.402 175.641 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 75.0 p -120.77 14.7 11.73 Favored 'General case' 0 N--CA 1.462 0.168 0 N-CA-C 112.687 0.625 . . . . 0.0 112.687 -173.521 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 13.6 m-20 -64.7 151.77 91.58 Favored Pre-proline 0 CA--C 1.532 0.256 0 N-CA-C 109.586 -0.524 . . . . 0.0 109.586 177.809 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 11' ' ' PRO . . . . . . . . . . . . . 74.5 Cg_endo -67.46 1.88 2.77 Favored 'Trans proline' 0 N--CA 1.455 -0.739 0 C-N-CA 124.109 3.206 . . . . 0.0 113.115 -173.999 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -132.11 -27.85 1.78 Allowed 'General case' 0 CA--C 1.523 -0.071 0 CA-C-N 118.331 0.514 . . . . 0.0 110.818 177.259 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 21.0 m -80.15 -21.19 43.36 Favored 'General case' 0 N--CA 1.456 -0.14 0 N-CA-C 111.843 0.312 . . . . 0.0 111.843 -178.763 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 14' ' ' MET . . . . . . . . . . . . . 13.0 ptm -93.71 -4.52 50.35 Favored 'General case' 0 N--CA 1.456 -0.125 0 C-N-CA 120.151 -0.619 . . . . 0.0 111.841 175.854 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 70.3 m-80 -100.7 -16.44 17.38 Favored 'General case' 0 N--CA 1.456 -0.166 0 C-N-CA 122.529 0.332 . . . . 0.0 110.46 175.542 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 77.8 p -89.75 6.12 42.96 Favored 'General case' 0 CA--C 1.53 0.196 0 C-N-CA 123.165 0.586 . . . . 0.0 111.344 171.358 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 30.9 ttp-105 -103.22 153.29 20.52 Favored 'General case' 0 N--CA 1.456 -0.135 0 C-N-CA 123.695 0.798 . . . . 0.0 109.971 177.945 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 83.3 t -129.3 131.27 67.67 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.442 0 C-N-CA 123.075 0.55 . . . . 0.0 110.017 178.509 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 53.7 t80 -89.37 138.36 31.51 Favored 'General case' 0 N--CA 1.45 -0.46 0 C-N-CA 123.523 0.729 . . . . 0.0 109.503 174.205 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 64.4 mt -124.16 85.86 0.99 Allowed 'Isoleucine or valine' 0 N--CA 1.454 -0.228 0 N-CA-C 107.745 -1.206 . . . . 0.0 107.745 179.534 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -85.69 173.26 47.25 Favored Glycine 0 CA--C 1.523 0.543 0 N-CA-C 110.278 -1.129 . . . . 0.0 110.278 177.672 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 22' ' ' ASN . . . . . 0.535 ' HA ' ' C2 ' ' B' ' 1' ' ' ' U' . 47.9 t30 50.01 49.06 21.02 Favored 'General case' 0 N--CA 1.453 -0.321 0 C-N-CA 123.048 0.539 . . . . 0.0 110.369 -178.415 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 57.6 tp -101.57 144.95 29.68 Favored 'General case' 0 N--CA 1.453 -0.315 0 N-CA-C 109.279 -0.637 . . . . 0.0 109.279 178.733 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 63.5 t30 -70.15 -36.75 74.96 Favored 'General case' 0 N--CA 1.455 -0.187 0 O-C-N 122.191 -0.318 . . . . 0.0 111.463 -177.532 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 47.4 p 51.21 9.47 0.06 Allowed 'General case' 0 N--CA 1.464 0.261 0 C-N-CA 126.205 1.802 . . . . 0.0 115.229 179.003 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 3.4 mm? -104.16 -14.18 15.95 Favored 'General case' 0 N--CA 1.456 -0.162 0 C-N-CA 123.555 0.742 . . . . 0.0 110.963 176.18 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 60.0 t -127.78 -20.31 2.0 Favored 'Isoleucine or valine' 0 CA--C 1.53 0.187 0 C-N-CA 123.148 0.579 . . . . 0.0 110.421 178.799 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 57.3 t -106.86 143.54 17.41 Favored 'Isoleucine or valine' 0 C--N 1.34 0.182 0 N-CA-C 109.896 -0.409 . . . . 0.0 109.896 177.686 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -136.23 173.32 11.84 Favored 'General case' 0 N--CA 1.456 -0.155 0 C-N-CA 123.904 0.882 . . . . 0.0 109.78 -178.561 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 12.4 ptmt -65.11 -7.85 14.08 Favored 'General case' 0 CA--C 1.53 0.195 0 C-N-CA 123.723 0.809 . . . . 0.0 112.068 179.04 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 38.9 m -97.66 -0.67 45.18 Favored 'General case' 0 CA--C 1.529 0.157 0 C-N-CA 123.291 0.636 . . . . 0.0 110.972 175.927 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 25.5 m-20 -115.44 -34.9 4.77 Favored 'General case' 0 N--CA 1.452 -0.358 0 C-N-CA 124.222 1.009 . . . . 0.0 110.205 179.265 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 81.9 t -62.69 -32.06 54.28 Favored 'Isoleucine or valine' 0 N--CA 1.456 -0.155 0 N-CA-C 109.589 -0.522 . . . . 0.0 109.589 177.648 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 25.3 pt-20 -80.53 7.56 9.67 Favored 'General case' 0 CA--C 1.532 0.259 0 O-C-N 122.247 -0.283 . . . . 0.0 111.656 178.679 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -126.05 -7.03 6.59 Favored 'General case' 0 N--CA 1.455 -0.193 0 C-N-CA 123.176 0.59 . . . . 0.0 111.195 177.398 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 70.2 mt -110.91 -28.83 2.52 Favored 'Isoleucine or valine' 0 C--N 1.339 0.133 0 C-N-CA 122.929 0.491 . . . . 0.0 110.777 178.486 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 37' ' ' PHE . . . . . . . . . . . . . 67.4 m-85 -101.3 -8.72 21.85 Favored 'General case' 0 N--CA 1.453 -0.283 0 C-N-CA 122.738 0.415 . . . . 0.0 110.943 179.934 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 69.1 p -72.59 -14.22 61.57 Favored 'General case' 0 CA--C 1.527 0.062 0 C-N-CA 122.607 0.363 . . . . 0.0 111.674 -178.965 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 18.3 ptmt -83.74 -10.8 57.87 Favored 'General case' 0 CA--C 1.53 0.207 0 C-N-CA 123.041 0.536 . . . . 0.0 112.186 179.123 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 40' ' ' TYR . . . . . . . . . . . . . 76.6 m-85 -106.05 -15.24 14.94 Favored 'General case' 0 N--CA 1.461 0.102 0 C-N-CA 122.263 0.225 . . . . 0.0 111.195 177.781 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -175.78 161.29 29.96 Favored Glycine 0 C--N 1.336 0.579 0 N-CA-C 111.971 -0.452 . . . . 0.0 111.971 174.586 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 78.2 tttt -73.01 114.21 10.91 Favored 'General case' 0 N--CA 1.452 -0.339 0 N-CA-C 108.651 -0.87 . . . . 0.0 108.651 177.584 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 43' ' ' ILE . . . . . . . . . . . . . 78.4 mt -83.39 128.65 38.57 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.339 0 N-CA-C 109.88 -0.415 . . . . 0.0 109.88 -178.461 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 34.2 m -109.06 -9.11 11.29 Favored 'Isoleucine or valine' 0 C--N 1.335 -0.06 0 C-N-CA 123.244 0.618 . . . . 0.0 110.879 179.138 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . -167.95 148.71 13.11 Favored Glycine 0 C--N 1.338 0.639 0 N-CA-C 109.844 -1.302 . . . . 0.0 109.844 178.098 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 46' ' ' CYS . . . . . . . . . . . . . 20.8 p -151.45 152.75 33.46 Favored 'General case' 0 N--CA 1.45 -0.43 0 N-CA-C 109.859 -0.422 . . . . 0.0 109.859 179.165 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 31.9 t -158.46 135.36 9.75 Favored 'General case' 0 N--CA 1.452 -0.356 0 N-CA-C 109.778 -0.452 . . . . 0.0 109.778 176.188 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 48' ' ' VAL . . . . . . . . . . . . . 99.7 t -111.7 149.56 14.33 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.24 0 N-CA-C 109.218 -0.66 . . . . 0.0 109.218 176.418 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 49' ' ' HIS . . . . . . . . . . . . . 51.0 m-70 -135.17 -168.36 2.17 Favored 'General case' 0 N--CA 1.45 -0.452 0 N-CA-C 107.87 -1.159 . . . . 0.0 107.87 -178.72 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 75.4 mmtt -85.67 118.66 25.31 Favored 'General case' 0 N--CA 1.456 -0.153 0 N-CA-C 109.555 -0.535 . . . . 0.0 109.555 176.448 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 78.73 -13.37 18.23 Favored Glycine 0 CA--C 1.53 1.013 0 C-N-CA 123.584 0.612 . . . . 0.0 114.121 178.843 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 50.1 p90 -144.76 165.45 28.05 Favored 'General case' 0 CA--C 1.529 0.14 0 CA-C-N 118.881 1.34 . . . . 0.0 111.784 179.04 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -147.52 171.97 14.71 Favored 'General case' 0 CA--C 1.533 0.291 0 C-N-CA 123.577 0.751 . . . . 0.0 110.77 177.101 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 54' ' ' PHE . . . . . . . . . . . . . 13.7 m-85 -140.45 145.85 37.51 Favored 'General case' 0 N--CA 1.453 -0.305 0 C-N-CA 124.204 1.001 . . . . 0.0 110.739 -179.313 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 97.2 t -137.05 137.2 47.01 Favored 'Isoleucine or valine' 0 CA--C 1.518 -0.263 0 C-N-CA 123.744 0.818 . . . . 0.0 109.223 178.48 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 56' ' ' GLN . . . . . . . . . . . . . 62.0 tp60 -116.93 130.64 56.83 Favored 'General case' 0 N--CA 1.45 -0.463 0 N-CA-C 109.387 -0.598 . . . . 0.0 109.387 -177.185 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 57' ' ' TYR . . . . . 0.451 ' HH ' ' CB ' ' A' ' 66' ' ' ALA . 43.4 m-85 -111.7 176.62 4.95 Favored 'General case' 0 N--CA 1.454 -0.25 0 C-N-CA 123.596 0.758 . . . . 0.0 110.571 179.742 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 58' ' ' VAL . . . . . . . . . . . . . 77.7 t -72.28 -31.21 38.15 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.286 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.588 178.323 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 59' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -156.29 168.86 26.02 Favored 'General case' 0 C--N 1.341 0.206 0 N-CA-C 112.108 0.41 . . . . 0.0 112.108 178.986 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 76.4 tt0 -58.91 -31.03 68.27 Favored 'General case' 0 N--CA 1.457 -0.089 0 C-N-CA 123.415 0.686 . . . . 0.0 112.265 -178.403 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 19.3 tpp180 -59.38 -38.15 79.76 Favored 'General case' 0 CA--C 1.529 0.156 0 CA-C-N 118.913 0.779 . . . . 0.0 110.021 -179.612 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 62' ' ' ASN . . . . . . . . . . . . . 19.8 m120 -71.66 -24.96 61.93 Favored 'General case' 0 N--CA 1.451 -0.408 0 C-N-CA 120.925 -0.31 . . . . 0.0 111.2 179.215 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -75.71 -37.55 59.37 Favored 'General case' 0 N--CA 1.453 -0.315 0 O-C-N 122.18 -0.325 . . . . 0.0 110.286 178.412 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 64' ' ' ARG . . . . . . . . . . . . . 40.1 mmt180 -68.22 -27.43 66.37 Favored 'General case' 0 CA--C 1.523 -0.068 0 N-CA-C 109.959 -0.385 . . . . 0.0 109.959 178.67 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -77.46 -34.02 54.55 Favored 'General case' 0 N--CA 1.455 -0.223 0 CA-C-N 117.553 0.16 . . . . 0.0 110.674 -179.174 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 66' ' ' ALA . . . . . 0.451 ' CB ' ' HH ' ' A' ' 57' ' ' TYR . . . -82.87 -35.47 26.21 Favored 'General case' 0 N--CA 1.454 -0.255 0 O-C-N 122.106 -0.371 . . . . 0.0 111.597 179.705 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 67' ' ' VAL . . . . . . . . . . . . . 53.7 t -65.11 -30.39 50.19 Favored 'Isoleucine or valine' 0 C--N 1.334 -0.09 0 O-C-N 122.134 -0.354 . . . . 0.0 110.09 176.226 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -96.07 -9.73 30.14 Favored 'General case' 0 CA--C 1.531 0.234 0 N-CA-C 112.145 0.424 . . . . 0.0 112.145 177.521 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . -102.51 -12.8 32.07 Favored Glycine 0 CA--C 1.528 0.868 0 CA-C-O 119.288 -0.729 . . . . 0.0 113.649 -177.307 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 24.0 mm-40 -133.99 -19.21 2.02 Favored 'General case' 0 N--CA 1.462 0.161 0 CA-C-N 118.655 1.227 . . . . 0.0 112.248 -174.984 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 22.2 t70 -61.4 117.18 5.34 Favored 'General case' 0 N--CA 1.455 -0.185 0 CA-C-N 119.099 0.863 . . . . 0.0 109.993 178.419 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . 87.99 10.07 69.83 Favored Glycine 0 C--N 1.337 0.585 0 N-CA-C 110.996 -0.842 . . . . 0.0 110.996 178.938 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 73' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -76.47 168.59 19.8 Favored 'General case' 0 N--CA 1.451 -0.409 0 N-CA-C 106.346 -1.724 . . . . 0.0 106.346 171.419 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 74' ' ' MET . . . . . . . . . . . . . 34.3 ttm -113.96 121.49 44.08 Favored 'General case' 0 N--CA 1.45 -0.454 0 N-CA-C 109.069 -0.715 . . . . 0.0 109.069 -176.588 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 75' ' ' ILE . . . . . . . . . . . . . 0.2 OUTLIER -129.13 136.09 60.43 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.314 0 CA-C-N 116.043 -0.526 . . . . 0.0 109.717 179.526 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . 54.48 17.71 1.71 Allowed 'General case' 0 N--CA 1.453 -0.277 0 C-N-CA 123.375 0.67 . . . . 0.0 112.06 -173.973 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 89.13 4.57 74.36 Favored Glycine 0 CA--C 1.528 0.899 0 CA-C-O 119.577 -0.568 . . . . 0.0 111.949 -179.36 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 78' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -124.39 130.92 53.35 Favored 'General case' 0 N--CA 1.451 -0.396 0 CA-C-N 117.746 0.773 . . . . 0.0 110.372 -179.205 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 79' ' ' VAL . . . . . . . . . . . . . 45.8 t -63.29 140.21 20.02 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.186 0 C-N-CA 124.252 1.021 . . . . 0.0 110.484 -178.938 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 30.2 mt -94.54 155.43 16.92 Favored 'General case' 0 N--CA 1.456 -0.146 0 CA-C-O 120.661 0.267 . . . . 0.0 111.33 177.219 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 81' ' ' ASP . . . . . . . . . . . . . 38.3 m-20 -124.1 98.07 5.62 Favored 'General case' 0 N--CA 1.452 -0.368 0 N-CA-C 107.685 -1.228 . . . . 0.0 107.685 176.306 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 82' ' ' ILE . . . . . . . . . . . . . 63.2 mt -111.6 138.97 38.06 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.178 0 C-N-CA 123.509 0.724 . . . . 0.0 109.835 -170.248 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 83' ' ' ASN . . . . . . . . . . . . . 9.2 t30 -153.42 157.29 39.71 Favored 'General case' 0 N--CA 1.456 -0.166 0 N-CA-C 109.567 -0.531 . . . . 0.0 109.567 -175.034 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 84' ' ' LEU . . . . . . . . . . . . . 7.7 tp -61.21 138.79 58.22 Favored 'General case' 0 N--CA 1.451 -0.41 0 N-CA-C 109.393 -0.595 . . . . 0.0 109.393 174.981 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . -69.16 6.16 1.04 Allowed 'General case' 0 CA--C 1.532 0.26 0 N-CA-C 113.516 0.932 . . . . 0.0 113.516 -176.086 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . -134.43 4.77 3.43 Favored 'General case' 0 N--CA 1.455 -0.216 0 CA-C-N 118.427 0.558 . . . . 0.0 112.466 -176.278 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 67.9 mt-10 -139.12 53.17 4.81 Favored Pre-proline 0 CA--C 1.53 0.185 0 C-N-CA 122.372 0.269 . . . . 0.0 111.236 -178.769 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 88' ' ' PRO . . . . . . . . . . . . . 56.3 Cg_endo -63.57 153.8 72.79 Favored 'Trans proline' 0 N--CA 1.449 -1.101 0 C-N-CA 122.386 2.058 . . . . 0.0 109.169 176.854 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 89' ' ' LYS . . . . . 0.49 ' HG3' ' H ' ' A' ' 90' ' ' VAL . 15.6 ptpt -144.72 -105.03 0.11 Allowed 'General case' 0 N--CA 1.453 -0.303 0 CA-C-N 115.806 -0.634 . . . . 0.0 110.576 -171.833 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 90' ' ' VAL . . . . . 0.49 ' H ' ' HG3' ' A' ' 89' ' ' LYS . 21.6 t -130.51 -27.77 0.81 Allowed 'Isoleucine or valine' 0 C--N 1.331 -0.198 0 C-N-CA 124.808 1.243 . . . . 0.0 110.135 -177.482 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 91' ' ' ASN . . . . . . . . . . . . . 22.2 m120 -74.47 -5.66 43.84 Favored 'General case' 0 N--CA 1.451 -0.421 0 C-N-CA 122.478 0.311 . . . . 0.0 111.59 -176.231 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 92' ' ' ARG . . . . . . . . . . . . . 54.2 ttp180 -68.28 -42.69 79.17 Favored 'General case' 0 C--N 1.34 0.171 0 C-N-CA 123.065 0.546 . . . . 0.0 110.146 176.784 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . 65.84 179.17 8.79 Favored Glycine 0 CA--C 1.525 0.697 0 C-N-CA 123.287 0.47 . . . . 0.0 111.935 179.324 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 34.8 mmtm -142.11 -19.04 0.72 Allowed 'General case' 0 C--N 1.334 -0.105 0 C-N-CA 123.279 0.632 . . . . 0.0 112.067 176.915 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . -152.73 32.55 0.5 Allowed 'General case' 0 CA--C 1.53 0.183 0 CA-C-N 118.077 0.399 . . . . 0.0 112.049 178.391 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . 77.7 1.92 79.22 Favored Glycine 0 CA--C 1.525 0.716 0 N-CA-C 111.896 -0.482 . . . . 0.0 111.896 -178.894 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 97' ' ' VAL . . . . . . . . . . . . . 14.7 p -112.48 138.38 41.8 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.253 0 CA-C-N 117.228 0.514 . . . . 0.0 109.634 177.226 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 98' ' ' LYS . . . . . . . . . . . . . 90.7 mttt -124.68 13.11 8.63 Favored 'General case' 0 C--N 1.338 0.072 0 C-N-CA 123.568 0.747 . . . . 0.0 110.781 -178.992 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 99' ' ' ARG . . . . . 0.501 ' HG3' ' H ' ' A' ' 100' ' ' SER . 2.2 tpm_? -103.49 178.27 4.6 Favored 'General case' 0 N--CA 1.455 -0.225 0 C-N-CA 124.903 1.281 . . . . 0.0 109.564 -179.63 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 100' ' ' SER . . . . . 0.501 ' H ' ' HG3' ' A' ' 99' ' ' ARG . 74.8 m -59.61 -19.61 50.21 Favored 'General case' 0 N--CA 1.455 -0.2 0 C-N-CA 123.401 0.68 . . . . 0.0 111.875 177.637 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 101' ' ' ALA . . . . . . . . . . . . . . . 52.38 18.81 0.99 Allowed 'General case' 0 CA--C 1.533 0.321 0 C-N-CA 124.045 0.938 . . . . 0.0 112.53 -177.668 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -149.83 7.91 0.65 Allowed 'General case' 0 CA--C 1.533 0.323 0 C-N-CA 123.491 0.716 . . . . 0.0 111.533 -178.074 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 10.7 pt-20 -81.55 -6.4 58.94 Favored 'General case' 0 CA--C 1.531 0.24 0 N-CA-C 112.52 0.563 . . . . 0.0 112.52 -175.644 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 104' ' ' MET . . . . . . . . . . . . . 24.9 ptp -131.88 11.57 4.73 Favored 'General case' 0 CA--C 1.528 0.133 0 N-CA-C 112.604 0.594 . . . . 0.0 112.604 -177.057 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 105' ' ' TYR . . . . . . . . . . . . . 74.6 m-85 -111.69 5.8 19.46 Favored 'General case' 0 CA--C 1.533 0.305 0 C-N-CA 123.106 0.562 . . . . 0.0 111.531 -179.085 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 106' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.523 0.589 0 N-CA-C 110.827 -0.909 . . . . 0.0 110.827 179.896 . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' B' B ' 1' ' ' ' U' . . . . . 0.535 ' C2 ' ' HA ' ' A' ' 22' ' ' ASN . . . . . . . . 0 O4'--C4' 1.416 -3.109 2 O4'-C1'-N19 114.612 6.412 OUTLIER-DELTA 0.0 '__' . 0.0 . . . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' B' B ' 2' ' ' ' U' . . . . . 0.439 " H4'" " H5'" ' B' ' 3' ' ' ' U' . . . . . . . . 0 O4'--C4' 1.421 -2.707 0 C5'-C4'-C3' 110.005 -3.664 . 0.245 4b . 0.0 . . . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 3' ' ' ' U' . . . . . 0.439 " H5'" " H4'" ' B' ' 2' ' ' ' U' . . . . . . . . 0 O4'--C4' 1.421 -2.684 0 O4'-C1'-N19 111.124 2.924 . 0.307 0b . 0.0 . . . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 4' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.422 -2.587 1 O4'-C1'-N19 113.083 4.883 . 0.248 4b . 0.0 . . . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 5' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.423 -2.492 0 C5'-C4'-C3' 112.815 -1.79 . 0.068 6d . 0.0 . . . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.473 0.713 0 CA-C-O 120.482 0.182 . . . . 0.0 110.874 . . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 46.9 m -66.01 155.78 35.65 Favored 'General case' 0 CA--C 1.526 0.056 0 C-N-CA 122.811 0.444 . . . . 0.0 111.218 -179.677 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 4' ' ' ASN . . . . . . . . . . . . . 67.3 t30 -82.67 -1.3 50.78 Favored 'General case' 0 CA--C 1.534 0.354 0 C-N-CA 122.438 0.295 . . . . 0.0 111.525 -178.498 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 87.0 t -91.35 130.42 40.55 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.223 0 C-N-CA 122.851 0.46 . . . . 0.0 110.909 -177.053 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 48.6 p -147.82 12.73 1.01 Allowed 'General case' 0 CA--C 1.532 0.254 0 C-N-CA 123.46 0.704 . . . . 0.0 111.876 -179.644 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 7' ' ' ASN . . . . . . . . . . . . . 60.8 t-20 -124.65 110.08 13.96 Favored 'General case' 0 CA--C 1.531 0.222 0 CA-C-N 119.11 0.868 . . . . 0.0 111.828 -178.391 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 56.2 mtmt -151.41 165.93 32.61 Favored 'General case' 0 N--CA 1.462 0.154 0 C-N-CA 126.235 1.814 . . . . 0.0 107.822 174.775 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 75.4 p -125.48 15.07 8.24 Favored 'General case' 0 CA--C 1.527 0.091 0 N-CA-C 112.349 0.5 . . . . 0.0 112.349 -178.493 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 19.6 m-20 -81.05 152.83 71.84 Favored Pre-proline 0 N--CA 1.454 -0.246 0 CA-C-O 120.54 0.209 . . . . 0.0 111.16 179.937 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 11' ' ' PRO . . . . . 0.496 ' C ' ' H ' ' A' ' 13' ' ' SER . 55.8 Cg_endo -63.58 139.85 72.12 Favored 'Trans proline' 0 N--CA 1.447 -1.248 0 C-N-CA 122.958 2.439 . . . . 0.0 109.638 178.923 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 18.6 mmt85 60.28 1.08 0.34 Allowed 'General case' 0 N--CA 1.462 0.152 0 C-N-CA 125.314 1.446 . . . . 0.0 112.997 -176.721 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 13' ' ' SER . . . . . 0.496 ' H ' ' C ' ' A' ' 11' ' ' PRO . 50.2 m -101.85 -24.48 14.03 Favored 'General case' 0 C--N 1.331 -0.237 0 N-CA-C 109.475 -0.565 . . . . 0.0 109.475 169.723 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 14' ' ' MET . . . . . . . . . . . . . 10.3 ptm -108.12 -5.08 17.14 Favored 'General case' 0 N--CA 1.453 -0.281 0 N-CA-C 112.663 0.616 . . . . 0.0 112.663 173.144 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 21.0 m120 -97.97 -19.76 17.84 Favored 'General case' 0 N--CA 1.456 -0.134 0 CA-C-N 118.059 0.39 . . . . 0.0 111.171 -179.38 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 79.1 p -88.24 6.03 38.82 Favored 'General case' 0 N--CA 1.455 -0.213 0 C-N-CA 123.87 0.868 . . . . 0.0 110.868 172.564 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 35.2 ttm180 -95.58 153.27 17.8 Favored 'General case' 0 C--O 1.233 0.189 0 C-N-CA 124.112 0.965 . . . . 0.0 110.042 -179.262 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 96.5 t -131.28 132.42 63.03 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.315 0 CA-C-O 120.915 0.388 . . . . 0.0 110.088 176.296 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 29.4 t80 -92.54 135.36 34.13 Favored 'General case' 0 N--CA 1.452 -0.353 0 CA-C-N 115.439 -0.8 . . . . 0.0 108.943 175.884 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 59.0 mt -122.68 83.61 0.82 Allowed 'Isoleucine or valine' 0 CA--C 1.523 -0.096 0 N-CA-C 107.979 -1.119 . . . . 0.0 107.979 -179.56 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -83.28 173.8 51.96 Favored Glycine 0 CA--C 1.524 0.644 0 N-CA-C 110.97 -0.852 . . . . 0.0 110.97 178.417 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 56.1 t30 48.58 49.12 18.94 Favored 'General case' 0 N--CA 1.454 -0.26 0 C-N-CA 123.264 0.626 . . . . 0.0 111.124 -178.257 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 55.8 tp -99.91 144.4 29.01 Favored 'General case' 0 CA--C 1.531 0.238 0 N-CA-C 109.195 -0.669 . . . . 0.0 109.195 179.868 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 24' ' ' ASN . . . . . 0.405 ' C ' ' H ' ' A' ' 26' ' ' LEU . 63.6 t30 -69.41 -36.48 76.76 Favored 'General case' 0 CA--C 1.53 0.192 0 O-C-N 122.257 -0.277 . . . . 0.0 111.223 -177.715 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 46.1 p 52.93 2.2 0.02 OUTLIER 'General case' 0 N--CA 1.466 0.328 0 C-N-CA 126.886 2.074 . . . . 0.0 115.363 178.971 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 26' ' ' LEU . . . . . 0.405 ' H ' ' C ' ' A' ' 24' ' ' ASN . 7.1 mp -96.16 -16.03 21.74 Favored 'General case' 0 N--CA 1.454 -0.239 0 C-N-CA 123.436 0.694 . . . . 0.0 111.23 177.027 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 57.4 t -125.99 -20.74 2.46 Favored 'Isoleucine or valine' 0 C--N 1.338 0.101 0 C-N-CA 122.728 0.411 . . . . 0.0 110.634 179.566 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 58.4 t -107.39 140.87 24.16 Favored 'Isoleucine or valine' 0 C--N 1.337 0.065 0 N-CA-C 109.777 -0.453 . . . . 0.0 109.777 177.216 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 2.5 mptp? -133.36 172.72 12.31 Favored 'General case' 0 C--N 1.337 0.041 0 C-N-CA 123.759 0.824 . . . . 0.0 109.655 -178.986 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 4.0 ptmm? -66.11 -5.54 10.26 Favored 'General case' 0 CA--C 1.528 0.118 0 C-N-CA 123.735 0.814 . . . . 0.0 112.104 179.544 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 35.7 m -98.18 -0.05 44.97 Favored 'General case' 0 CA--C 1.533 0.296 0 C-N-CA 123.597 0.759 . . . . 0.0 110.507 174.812 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 20.6 m-20 -117.02 -33.74 4.62 Favored 'General case' 0 N--CA 1.455 -0.218 0 C-N-CA 123.867 0.867 . . . . 0.0 110.452 -179.265 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 84.7 t -62.77 -32.4 55.6 Favored 'Isoleucine or valine' 0 N--CA 1.456 -0.142 0 N-CA-C 109.159 -0.682 . . . . 0.0 109.159 178.209 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 23.9 pt-20 -78.92 7.14 7.66 Favored 'General case' 0 CA--C 1.53 0.189 0 N-CA-C 112.124 0.416 . . . . 0.0 112.124 178.374 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -126.66 -7.31 6.23 Favored 'General case' 0 CA--C 1.531 0.248 0 C-N-CA 123.179 0.591 . . . . 0.0 111.03 177.74 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 74.3 mt -110.79 -27.67 2.8 Favored 'Isoleucine or valine' 0 C--O 1.232 0.135 0 C-N-CA 122.955 0.502 . . . . 0.0 110.562 178.836 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 37' ' ' PHE . . . . . . . . . . . . . 64.4 m-85 -102.67 -8.62 20.75 Favored 'General case' 0 N--CA 1.453 -0.28 0 C-N-CA 122.586 0.355 . . . . 0.0 111.106 179.515 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 66.0 p -72.87 -14.03 61.4 Favored 'General case' 0 C--N 1.338 0.106 0 C-N-CA 122.444 0.298 . . . . 0.0 111.589 -179.013 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 18.4 ptmt -83.23 -11.24 58.01 Favored 'General case' 0 CA--C 1.529 0.171 0 C-N-CA 123.361 0.664 . . . . 0.0 112.232 179.063 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 40' ' ' TYR . . . . . . . . . . . . . 78.8 m-85 -105.7 -15.05 15.07 Favored 'General case' 0 C--O 1.233 0.221 0 C-N-CA 122.475 0.31 . . . . 0.0 111.275 177.822 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -176.24 160.7 28.65 Favored Glycine 0 CA--C 1.522 0.507 0 N-CA-C 111.989 -0.444 . . . . 0.0 111.989 174.084 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 78.3 tttt -71.57 114.74 9.97 Favored 'General case' 0 N--CA 1.45 -0.451 0 N-CA-C 109.075 -0.713 . . . . 0.0 109.075 177.504 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 43' ' ' ILE . . . . . . . . . . . . . 74.3 mt -83.65 129.21 37.92 Favored 'Isoleucine or valine' 0 C--O 1.233 0.236 0 N-CA-C 109.688 -0.486 . . . . 0.0 109.688 -177.713 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 33.7 m -110.89 -5.08 11.15 Favored 'Isoleucine or valine' 0 CA--C 1.528 0.128 0 C-N-CA 123.303 0.641 . . . . 0.0 110.756 179.276 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . -167.43 144.11 8.74 Favored Glycine 0 CA--C 1.523 0.586 0 N-CA-C 109.687 -1.365 . . . . 0.0 109.687 177.388 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 46' ' ' CYS . . . . . . . . . . . . . 31.2 p -149.09 146.54 27.76 Favored 'General case' 0 N--CA 1.453 -0.301 0 CA-C-N 116.967 0.383 . . . . 0.0 110.089 -178.755 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 28.3 t -156.96 148.17 22.06 Favored 'General case' 0 N--CA 1.453 -0.303 0 N-CA-C 110.35 -0.241 . . . . 0.0 110.35 177.287 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 48' ' ' VAL . . . . . . . . . . . . . 92.8 t -125.82 147.09 30.62 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.206 0 N-CA-C 109.343 -0.614 . . . . 0.0 109.343 175.747 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 49' ' ' HIS . . . . . . . . . . . . . 56.1 m-70 -133.99 -166.87 1.86 Allowed 'General case' 0 N--CA 1.451 -0.393 0 C-N-CA 124.7 1.2 . . . . 0.0 107.944 -177.202 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 54.4 tttp -90.32 117.55 29.14 Favored 'General case' 0 N--CA 1.45 -0.456 0 C-N-CA 120.541 -0.464 . . . . 0.0 110.045 179.133 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 81.09 -6.34 63.4 Favored Glycine 0 CA--C 1.53 1.006 0 CA-C-O 119.538 -0.59 . . . . 0.0 113.678 179.48 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 51.2 p90 -155.56 170.9 20.92 Favored 'General case' 0 N--CA 1.456 -0.167 0 CA-C-N 118.548 1.174 . . . . 0.0 111.462 178.11 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -148.88 174.14 12.55 Favored 'General case' 0 N--CA 1.455 -0.188 0 C-N-CA 123.736 0.814 . . . . 0.0 110.444 177.434 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 54' ' ' PHE . . . . . . . . . . . . . 7.5 m-85 -141.02 148.22 39.91 Favored 'General case' 0 N--CA 1.454 -0.266 0 C-N-CA 123.572 0.749 . . . . 0.0 110.932 179.772 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 91.4 t -136.84 149.41 26.51 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.255 0 C-N-CA 124.166 0.986 . . . . 0.0 108.769 178.25 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 56' ' ' GLN . . . . . . . . . . . . . 58.3 tp60 -130.36 130.86 44.95 Favored 'General case' 0 N--CA 1.449 -0.519 0 N-CA-C 109.163 -0.68 . . . . 0.0 109.163 -178.77 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 57' ' ' TYR . . . . . 0.459 ' HH ' ' CB ' ' A' ' 66' ' ' ALA . 45.9 m-85 -112.47 177.75 4.53 Favored 'General case' 0 C--N 1.332 -0.184 0 C-N-CA 123.059 0.544 . . . . 0.0 110.752 -179.635 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 58' ' ' VAL . . . . . . . . . . . . . 53.7 t -72.45 -32.1 40.68 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.323 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.523 177.833 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 59' ' ' ASN . . . . . . . . . . . . . 0.0 OUTLIER -153.84 168.07 27.56 Favored 'General case' 0 N--CA 1.454 -0.268 0 N-CA-C 112.699 0.629 . . . . 0.0 112.699 178.99 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 86.3 tt0 -58.27 -30.66 66.76 Favored 'General case' 0 N--CA 1.454 -0.249 0 C-N-CA 123.963 0.905 . . . . 0.0 112.186 -178.165 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 19.3 tpp180 -60.81 -38.83 86.71 Favored 'General case' 0 C--N 1.338 0.105 0 CA-C-N 118.815 0.734 . . . . 0.0 110.239 179.96 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 62' ' ' ASN . . . . . . . . . . . . . 20.2 m120 -69.93 -25.6 63.74 Favored 'General case' 0 N--CA 1.452 -0.341 0 C-N-CA 120.854 -0.338 . . . . 0.0 110.987 179.831 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -74.22 -37.15 63.92 Favored 'General case' 0 N--CA 1.454 -0.241 0 N-CA-C 110.392 -0.225 . . . . 0.0 110.392 178.153 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 64' ' ' ARG . . . . . . . . . . . . . 35.1 mmt180 -69.0 -27.02 65.32 Favored 'General case' 0 CA--C 1.528 0.104 0 N-CA-C 110.239 -0.282 . . . . 0.0 110.239 179.178 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -78.27 -33.49 49.54 Favored 'General case' 0 N--CA 1.452 -0.366 0 O-C-N 122.512 -0.117 . . . . 0.0 111.255 -179.061 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 66' ' ' ALA . . . . . 0.459 ' CB ' ' HH ' ' A' ' 57' ' ' TYR . . . -83.46 -35.07 25.23 Favored 'General case' 0 N--CA 1.45 -0.43 0 O-C-N 122.192 -0.318 . . . . 0.0 111.566 179.188 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 67' ' ' VAL . . . . . . . . . . . . . 54.1 t -65.31 -30.83 51.44 Favored 'Isoleucine or valine' 0 CA--C 1.527 0.062 0 N-CA-C 109.859 -0.422 . . . . 0.0 109.859 175.971 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -95.33 -10.2 30.81 Favored 'General case' 0 CA--C 1.53 0.198 0 N-CA-C 112.31 0.485 . . . . 0.0 112.31 177.467 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . -102.0 -13.0 32.74 Favored Glycine 0 CA--C 1.528 0.88 0 CA-C-O 119.323 -0.709 . . . . 0.0 114.094 -177.72 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 25.6 mm-40 -133.55 -19.18 2.14 Favored 'General case' 0 N--CA 1.462 0.151 0 CA-C-N 118.497 1.148 . . . . 0.0 112.24 -175.242 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 22.9 t70 -61.69 117.7 6.15 Favored 'General case' 0 C--O 1.231 0.095 0 O-C-N 121.258 -0.901 . . . . 0.0 109.573 178.348 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . 87.21 10.3 71.62 Favored Glycine 0 C--N 1.336 0.58 0 N-CA-C 110.973 -0.851 . . . . 0.0 110.973 178.738 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 73' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -76.38 169.15 18.77 Favored 'General case' 0 N--CA 1.448 -0.539 0 N-CA-C 106.308 -1.738 . . . . 0.0 106.308 171.73 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 74' ' ' MET . . . . . . . . . . . . . 33.3 ttm -114.3 121.91 45.11 Favored 'General case' 0 N--CA 1.449 -0.506 0 N-CA-C 109.203 -0.665 . . . . 0.0 109.203 -176.895 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 75' ' ' ILE . . . . . . . . . . . . . 0.2 OUTLIER -129.45 135.79 60.81 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.435 0 N-CA-C 109.483 -0.562 . . . . 0.0 109.483 179.469 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . 54.67 17.95 1.89 Allowed 'General case' 0 N--CA 1.455 -0.218 0 C-N-CA 123.329 0.652 . . . . 0.0 112.184 -174.346 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 89.33 4.31 74.16 Favored Glycine 0 CA--C 1.529 0.955 0 CA-C-O 119.727 -0.485 . . . . 0.0 112.06 -179.402 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 78' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -124.58 131.47 53.48 Favored 'General case' 0 N--CA 1.45 -0.451 0 CA-C-N 117.598 0.699 . . . . 0.0 110.389 -179.19 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 79' ' ' VAL . . . . . . . . . . . . . 51.4 t -63.32 140.89 18.9 Favored 'Isoleucine or valine' 0 CA--C 1.522 -0.115 0 C-N-CA 124.379 1.072 . . . . 0.0 110.219 -178.747 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 29.6 mt -95.54 156.06 16.48 Favored 'General case' 0 C--N 1.337 0.052 0 CA-C-O 120.846 0.355 . . . . 0.0 111.292 176.957 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 81' ' ' ASP . . . . . . . . . . . . . 4.7 m-20 -125.06 99.63 6.2 Favored 'General case' 0 N--CA 1.455 -0.19 0 N-CA-C 107.677 -1.231 . . . . 0.0 107.677 176.665 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 82' ' ' ILE . . . . . . . . . . . . . 64.9 mt -113.31 140.56 32.85 Favored 'Isoleucine or valine' 0 C--N 1.333 -0.109 0 C-N-CA 123.704 0.801 . . . . 0.0 110.206 -170.113 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 83' ' ' ASN . . . . . . . . . . . . . 8.6 t30 -153.53 156.51 38.22 Favored 'General case' 0 CA--C 1.531 0.241 0 C-N-CA 122.33 0.252 . . . . 0.0 110.627 -175.097 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 84' ' ' LEU . . . . . . . . . . . . . 1.1 tm? -60.47 128.86 38.75 Favored 'General case' 0 N--CA 1.449 -0.505 0 N-CA-C 108.615 -0.883 . . . . 0.0 108.615 174.057 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . -62.41 -4.05 1.69 Allowed 'General case' 0 CA--C 1.532 0.272 0 N-CA-C 114.673 1.36 . . . . 0.0 114.673 -173.171 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . -127.28 7.06 6.43 Favored 'General case' 0 N--CA 1.456 -0.165 0 CA-C-N 118.596 0.634 . . . . 0.0 112.389 -176.394 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 66.3 mt-10 -138.9 57.94 12.2 Favored Pre-proline 0 C--O 1.233 0.201 0 C-N-CA 122.25 0.22 . . . . 0.0 111.088 -178.939 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 88' ' ' PRO . . . . . . . . . . . . . 58.1 Cg_endo -64.34 156.21 61.31 Favored 'Trans proline' 0 N--CA 1.453 -0.907 0 C-N-CA 122.438 2.092 . . . . 0.0 109.774 176.431 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 89' ' ' LYS . . . . . 0.458 ' HG3' ' H ' ' A' ' 90' ' ' VAL . 15.2 ptpt -140.36 -102.28 0.15 Allowed 'General case' 0 N--CA 1.45 -0.439 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.986 -172.397 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 90' ' ' VAL . . . . . 0.458 ' H ' ' HG3' ' A' ' 89' ' ' LYS . 5.7 m -127.94 -14.98 2.95 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.176 0 C-N-CA 124.204 1.002 . . . . 0.0 111.632 -177.31 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 91' ' ' ASN . . . . . . . . . . . . . 21.8 m120 -82.2 9.5 8.61 Favored 'General case' 0 N--CA 1.452 -0.349 0 C-N-CA 123.156 0.582 . . . . 0.0 112.185 -178.197 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 92' ' ' ARG . . . . . . . . . . . . . 66.3 ttp85 -85.03 -92.4 0.09 Allowed 'General case' 0 C--O 1.225 -0.232 0 N-CA-C 109.325 -0.62 . . . . 0.0 109.325 175.793 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . 55.83 -144.85 34.06 Favored Glycine 0 CA--C 1.525 0.711 0 N-CA-C 111.028 -0.829 . . . . 0.0 111.028 -178.862 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 53.0 tttp -145.93 -15.78 0.47 Allowed 'General case' 0 N--CA 1.453 -0.303 0 C-N-CA 123.219 0.608 . . . . 0.0 112.006 175.925 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . -151.74 176.48 11.35 Favored 'General case' 0 CA--C 1.53 0.202 0 C-N-CA 122.999 0.52 . . . . 0.0 109.995 -176.583 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . -70.74 -4.86 55.26 Favored Glycine 0 CA--C 1.526 0.764 0 CA-C-O 119.696 -0.502 . . . . 0.0 112.559 179.204 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 97' ' ' VAL . . . . . 0.408 HG23 ' H ' ' A' ' 99' ' ' ARG . 11.3 p -109.29 139.78 30.75 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.276 0 CA-C-N 117.596 0.698 . . . . 0.0 109.17 176.994 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 98' ' ' LYS . . . . . . . . . . . . . 35.0 mmtp -118.82 13.93 13.28 Favored 'General case' 0 CA--C 1.529 0.14 0 C-N-CA 123.334 0.654 . . . . 0.0 111.979 -176.542 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 99' ' ' ARG . . . . . 0.408 ' H ' HG23 ' A' ' 97' ' ' VAL . 2.4 mpp_? -115.83 167.54 10.85 Favored 'General case' 0 C--O 1.231 0.1 0 C-N-CA 124.034 0.933 . . . . 0.0 109.861 178.789 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 71.6 m -72.12 -8.6 55.56 Favored 'General case' 0 N--CA 1.454 -0.232 0 C-N-CA 122.789 0.436 . . . . 0.0 111.793 178.281 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 101' ' ' ALA . . . . . . . . . . . . . . . 52.28 15.46 0.46 Allowed 'General case' 0 CA--C 1.534 0.338 0 C-N-CA 124.194 0.998 . . . . 0.0 112.357 -173.739 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -150.85 15.6 0.75 Allowed 'General case' 0 CA--C 1.53 0.185 0 C-N-CA 123.694 0.798 . . . . 0.0 111.14 -178.217 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 16.2 pt-20 -69.43 -2.66 11.69 Favored 'General case' 0 CA--C 1.531 0.225 0 N-CA-C 112.779 0.659 . . . . 0.0 112.779 -175.576 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 104' ' ' MET . . . . . . . . . . . . . 73.7 mtm -109.04 8.54 26.23 Favored 'General case' 0 CA--C 1.53 0.183 0 C-N-CA 123.445 0.698 . . . . 0.0 111.215 178.016 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 105' ' ' TYR . . . . . . . . . . . . . 63.9 m-85 -133.83 2.27 3.4 Favored 'General case' 0 CA--C 1.531 0.246 0 C-N-CA 123.069 0.547 . . . . 0.0 111.816 -177.993 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 106' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--N 1.339 0.706 0 N-CA-C 111.586 -0.606 . . . . 0.0 111.586 179.622 . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' B' B ' 1' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.419 -2.862 0 O4'-C1'-N19 111.936 3.736 . 0.0 '__' . 0.0 . . . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' B' B ' 2' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.419 -2.85 1 O4'-C1'-N19 112.498 4.298 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' B' B ' 3' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.418 -2.919 0 O4'-C1'-N19 110.888 2.688 . 0.258 0b . 0.0 . . . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' B' B ' 4' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.42 -2.71 1 O4'-C1'-N19 112.876 4.676 . 0.055 4b . 0.0 . . . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 5' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.424 -2.419 1 O4'-C1'-N19 113.412 5.212 . 0.554 2u . 0.0 . . . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 4' ' ' ASN . . . . . . . . . . . . . 58.9 t30 . . . . . 0 CA--C 1.533 0.312 0 CA-C-O 120.4 0.143 . . . . 0.0 111.081 . . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 86.0 t -94.53 132.39 38.69 Favored 'Isoleucine or valine' 0 N--CA 1.457 -0.097 0 C-N-CA 122.907 0.483 . . . . 0.0 111.316 -175.649 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 76.0 p -150.88 6.33 0.52 Allowed 'General case' 0 C--O 1.224 -0.272 0 C-N-CA 123.85 0.86 . . . . 0.0 111.905 -178.065 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 7' ' ' ASN . . . . . . . . . . . . . 37.1 p30 . . . . . 0 CA--C 1.53 0.181 0 N-CA-C 114.244 1.201 . . . . 0.0 114.244 -172.986 . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 80.4 p . . . . . 0 N--CA 1.456 -0.165 0 CA-C-O 120.239 0.066 . . . . 0.0 110.983 . . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 28.5 ttp-105 -101.14 153.42 19.6 Favored 'General case' 0 C--N 1.341 0.2 0 C-N-CA 123.387 0.675 . . . . 0.0 110.016 177.308 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 62.2 t -126.54 130.24 71.74 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.294 0 C-N-CA 123.289 0.636 . . . . 0.0 110.147 178.047 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 18.1 t80 -89.54 131.25 35.65 Favored 'General case' 0 N--CA 1.454 -0.264 0 C-N-CA 123.873 0.869 . . . . 0.0 109.192 174.979 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 55.8 mt -120.73 85.91 0.96 Allowed 'Isoleucine or valine' 0 N--CA 1.456 -0.164 0 N-CA-C 107.973 -1.121 . . . . 0.0 107.973 179.806 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -86.41 175.15 47.49 Favored Glycine 0 CA--C 1.526 0.765 0 N-CA-C 110.883 -0.887 . . . . 0.0 110.883 178.532 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 9.8 t30 51.15 41.71 27.96 Favored 'General case' 0 CA--C 1.533 0.291 0 C-N-CA 123.028 0.531 . . . . 0.0 110.916 179.229 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 56.0 tp -94.14 145.67 24.53 Favored 'General case' 0 N--CA 1.455 -0.202 0 C-N-CA 123.546 0.738 . . . . 0.0 109.862 -179.334 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 64.0 t30 -69.94 -39.23 76.2 Favored 'General case' 0 CA--C 1.527 0.086 0 O-C-N 121.868 -0.52 . . . . 0.0 111.189 -178.903 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 30.9 p 56.59 -5.95 0.03 OUTLIER 'General case' 0 N--CA 1.466 0.358 0 C-N-CA 127.056 2.142 . . . . 0.0 115.457 179.37 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 3.8 mm? -87.98 -16.45 33.72 Favored 'General case' 0 N--CA 1.454 -0.249 0 C-N-CA 123.186 0.594 . . . . 0.0 111.549 177.761 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 61.6 t -126.88 -18.37 2.68 Favored 'Isoleucine or valine' 0 C--O 1.231 0.111 0 C-N-CA 122.531 0.332 . . . . 0.0 110.57 179.562 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 60.8 t -111.2 135.09 51.45 Favored 'Isoleucine or valine' 0 C--O 1.231 0.125 0 O-C-N 122.099 -0.376 . . . . 0.0 110.34 177.569 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 3.9 mptp? -129.88 174.25 9.92 Favored 'General case' 0 CA--C 1.523 -0.064 0 C-N-CA 123.912 0.885 . . . . 0.0 109.855 -178.17 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 11.3 ptmt -65.5 -6.2 10.0 Favored 'General case' 0 CA--C 1.529 0.17 0 C-N-CA 123.777 0.831 . . . . 0.0 112.494 -179.485 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 43.8 m -98.58 0.47 44.96 Favored 'General case' 0 N--CA 1.455 -0.216 0 C-N-CA 123.343 0.657 . . . . 0.0 110.534 175.183 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 26.2 m-20 -117.19 -34.41 4.36 Favored 'General case' 0 N--CA 1.454 -0.27 0 C-N-CA 123.914 0.886 . . . . 0.0 110.743 -179.755 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 33' ' ' VAL . . . . . 0.403 HG13 ' CD1' ' A' ' 37' ' ' PHE . 92.6 t -64.65 -31.32 53.2 Favored 'Isoleucine or valine' 0 CA--C 1.527 0.089 0 N-CA-C 109.107 -0.701 . . . . 0.0 109.107 178.894 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 25.5 pt-20 -79.52 7.26 8.5 Favored 'General case' 0 CA--C 1.53 0.201 0 C-N-CA 122.499 0.319 . . . . 0.0 111.719 178.63 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -125.07 -8.4 7.13 Favored 'General case' 0 CA--C 1.531 0.247 0 C-N-CA 123.337 0.655 . . . . 0.0 110.942 176.18 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 72.0 mt -108.96 -27.46 2.93 Favored 'Isoleucine or valine' 0 CA--C 1.531 0.214 0 C-N-CA 123.084 0.554 . . . . 0.0 111.068 178.704 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 37' ' ' PHE . . . . . 0.403 ' CD1' HG13 ' A' ' 33' ' ' VAL . 60.4 m-85 -103.55 -6.76 21.41 Favored 'General case' 0 CA--C 1.529 0.15 0 C-N-CA 122.797 0.439 . . . . 0.0 110.839 179.807 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 71.2 p -74.91 -13.96 60.6 Favored 'General case' 0 N--CA 1.457 -0.107 0 C-N-CA 122.561 0.345 . . . . 0.0 111.511 -179.732 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 18.6 ptmt -81.9 -11.52 58.87 Favored 'General case' 0 CA--C 1.531 0.24 0 C-N-CA 123.25 0.62 . . . . 0.0 112.094 179.554 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 40' ' ' TYR . . . . . . . . . . . . . 67.8 m-85 -106.48 -15.63 14.75 Favored 'General case' 0 CA--C 1.53 0.175 0 C-N-CA 122.416 0.286 . . . . 0.0 111.33 178.168 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -174.49 161.81 31.79 Favored Glycine 0 CA--C 1.521 0.453 0 N-CA-C 111.891 -0.484 . . . . 0.0 111.891 174.671 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 77.6 tttt -73.08 114.46 11.28 Favored 'General case' 0 N--CA 1.451 -0.409 0 N-CA-C 108.991 -0.744 . . . . 0.0 108.991 177.422 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 43' ' ' ILE . . . . . . . . . . . . . 77.9 mt -83.33 129.65 37.12 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.264 0 N-CA-C 109.509 -0.552 . . . . 0.0 109.509 -178.17 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 33.8 m -109.15 -4.89 10.79 Favored 'Isoleucine or valine' 0 CA--C 1.527 0.066 0 C-N-CA 123.073 0.549 . . . . 0.0 110.508 179.108 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . -173.1 147.76 9.9 Favored Glycine 0 C--N 1.337 0.612 0 N-CA-C 109.78 -1.328 . . . . 0.0 109.78 177.167 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 46' ' ' CYS . . . . . . . . . . . . . 50.6 t -152.56 145.8 24.7 Favored 'General case' 0 N--CA 1.452 -0.369 0 N-CA-C 109.913 -0.403 . . . . 0.0 109.913 179.338 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 91.7 p -149.14 146.99 27.94 Favored 'General case' 0 N--CA 1.451 -0.377 0 N-CA-C 109.755 -0.461 . . . . 0.0 109.755 177.29 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 48' ' ' VAL . . . . . . . . . . . . . 94.5 t -124.41 147.01 29.04 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.158 0 N-CA-C 109.158 -0.682 . . . . 0.0 109.158 175.628 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 49' ' ' HIS . . . . . . . . . . . . . 45.8 m-70 -136.25 -166.53 1.89 Allowed 'General case' 0 N--CA 1.449 -0.489 0 C-N-CA 124.239 1.016 . . . . 0.0 108.265 -176.042 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 75.5 mmtt -87.13 116.89 25.5 Favored 'General case' 0 C--O 1.232 0.145 0 CA-C-N 118.433 0.56 . . . . 0.0 110.035 177.441 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 80.81 -9.39 52.36 Favored Glycine 0 CA--C 1.53 0.987 0 C-N-CA 123.842 0.734 . . . . 0.0 113.608 178.088 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 50.6 p90 -149.96 168.19 24.52 Favored 'General case' 0 CA--C 1.53 0.174 0 CA-C-N 118.827 1.314 . . . . 0.0 111.672 178.795 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -148.51 170.75 17.36 Favored 'General case' 0 N--CA 1.455 -0.207 0 C-N-CA 123.865 0.866 . . . . 0.0 110.129 176.403 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 54' ' ' PHE . . . . . . . . . . . . . 21.7 m-85 -138.24 145.98 42.01 Favored 'General case' 0 N--CA 1.453 -0.284 0 C-N-CA 123.762 0.825 . . . . 0.0 110.4 179.268 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 96.6 t -134.81 136.65 51.95 Favored 'Isoleucine or valine' 0 CA--C 1.518 -0.251 0 N-CA-C 108.834 -0.802 . . . . 0.0 108.834 177.813 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 56' ' ' GLN . . . . . . . . . . . . . 61.1 tp60 -116.16 128.33 55.54 Favored 'General case' 0 N--CA 1.449 -0.507 0 N-CA-C 109.307 -0.627 . . . . 0.0 109.307 -176.675 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 57' ' ' TYR . . . . . . . . . . . . . 37.7 m-85 -111.69 175.97 5.21 Favored 'General case' 0 N--CA 1.454 -0.246 0 C-N-CA 123.473 0.709 . . . . 0.0 110.907 -179.706 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 58' ' ' VAL . . . . . . . . . . . . . 79.4 t -72.68 -29.98 32.02 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.251 0 CA-C-N 115.982 -0.553 . . . . 0.0 110.486 179.056 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 59' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -156.89 169.33 25.02 Favored 'General case' 0 N--CA 1.455 -0.224 0 N-CA-C 112.257 0.465 . . . . 0.0 112.257 177.901 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 61.5 tt0 -58.96 -31.61 68.88 Favored 'General case' 0 N--CA 1.455 -0.184 0 C-N-CA 123.263 0.625 . . . . 0.0 111.969 -178.173 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 19.2 tpp180 -59.48 -38.72 81.59 Favored 'General case' 0 N--CA 1.462 0.138 0 CA-C-N 118.941 0.791 . . . . 0.0 110.227 -179.187 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 62' ' ' ASN . . . . . . . . . . . . . 19.1 m120 -70.52 -25.8 63.29 Favored 'General case' 0 N--CA 1.452 -0.364 0 C-N-CA 120.877 -0.329 . . . . 0.0 110.862 179.881 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -74.99 -35.36 62.03 Favored 'General case' 0 N--CA 1.454 -0.259 0 N-CA-C 110.029 -0.36 . . . . 0.0 110.029 178.365 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 64' ' ' ARG . . . . . . . . . . . . . 38.8 mmt180 -69.38 -27.33 65.22 Favored 'General case' 0 N--CA 1.462 0.15 0 N-CA-C 110.261 -0.274 . . . . 0.0 110.261 178.585 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -78.35 -32.7 49.22 Favored 'General case' 0 N--CA 1.454 -0.253 0 O-C-N 122.545 -0.097 . . . . 0.0 110.855 -178.895 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -83.84 -34.5 24.65 Favored 'General case' 0 N--CA 1.454 -0.249 0 O-C-N 122.239 -0.288 . . . . 0.0 111.574 179.736 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 67' ' ' VAL . . . . . . . . . . . . . 48.4 t -65.38 -31.53 54.25 Favored 'Isoleucine or valine' 0 N--CA 1.457 -0.094 0 N-CA-C 110.003 -0.369 . . . . 0.0 110.003 175.479 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -95.26 -9.38 33.34 Favored 'General case' 0 CA--C 1.53 0.185 0 N-CA-C 112.189 0.44 . . . . 0.0 112.189 177.901 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . -102.0 -14.59 28.49 Favored Glycine 0 CA--C 1.53 0.97 0 CA-C-O 119.302 -0.721 . . . . 0.0 113.972 -178.082 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 43.1 mm-40 -132.38 -19.3 2.46 Favored 'General case' 0 CA--C 1.528 0.124 0 CA-C-N 118.559 1.179 . . . . 0.0 112.394 -173.939 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 20.7 t70 -61.47 118.16 6.64 Favored 'General case' 0 N--CA 1.455 -0.22 0 O-C-N 121.076 -1.015 . . . . 0.0 109.649 178.252 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . 87.67 9.69 71.39 Favored Glycine 0 C--N 1.338 0.641 0 N-CA-C 111.311 -0.716 . . . . 0.0 111.311 179.064 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 73' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -75.91 169.53 17.97 Favored 'General case' 0 N--CA 1.451 -0.397 0 N-CA-C 106.604 -1.628 . . . . 0.0 106.604 171.83 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 74' ' ' MET . . . . . . . . . . . . . 31.6 ttm -115.21 120.26 39.12 Favored 'General case' 0 N--CA 1.449 -0.497 0 N-CA-C 108.885 -0.783 . . . . 0.0 108.885 -176.734 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 75' ' ' ILE . . . . . . . . . . . . . 0.2 OUTLIER -127.35 136.23 61.17 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.418 0 N-CA-C 109.556 -0.535 . . . . 0.0 109.556 179.594 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . 54.46 18.77 2.07 Favored 'General case' 0 CA--C 1.533 0.309 0 C-N-CA 123.416 0.686 . . . . 0.0 111.872 -174.256 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 88.33 5.58 75.66 Favored Glycine 0 CA--C 1.528 0.861 0 CA-C-O 119.848 -0.418 . . . . 0.0 112.163 -179.22 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 78' ' ' GLN . . . . . . . . . . . . . 1.1 tm0? -126.07 134.28 51.44 Favored 'General case' 0 N--CA 1.452 -0.332 0 CA-C-N 117.861 0.83 . . . . 0.0 110.419 -179.832 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 79' ' ' VAL . . . . . . . . . . . . . 76.6 t -63.12 141.78 17.66 Favored 'Isoleucine or valine' 0 N--CA 1.461 0.101 0 C-N-CA 124.46 1.104 . . . . 0.0 110.98 -178.919 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 30.3 mt -97.16 155.7 16.72 Favored 'General case' 0 N--CA 1.456 -0.132 0 CA-C-O 120.81 0.338 . . . . 0.0 111.226 175.829 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 81' ' ' ASP . . . . . . . . . . . . . 36.9 t70 -122.75 102.94 8.33 Favored 'General case' 0 N--CA 1.454 -0.246 0 N-CA-C 107.584 -1.265 . . . . 0.0 107.584 173.981 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 82' ' ' ILE . . . . . . . . . . . . . 59.4 mt -116.45 139.37 43.52 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.189 0 CA-C-N 115.942 -0.572 . . . . 0.0 110.142 -170.739 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 83' ' ' ASN . . . . . . . . . . . . . 2.9 t30 -155.26 161.59 41.1 Favored 'General case' 0 N--CA 1.452 -0.365 0 C-N-CA 122.818 0.447 . . . . 0.0 109.915 -175.255 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 84' ' ' LEU . . . . . . . . . . . . . 6.1 tp -60.12 146.44 43.18 Favored 'General case' 0 N--CA 1.452 -0.367 0 N-CA-C 109.141 -0.688 . . . . 0.0 109.141 173.704 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.534 0.337 0 N-CA-C 113.24 0.83 . . . . 0.0 113.24 -177.739 . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 98' ' ' LYS . . . . . . . . . . . . . 35.5 mmtp . . . . . 0 CA--C 1.529 0.171 0 CA-C-O 120.536 0.208 . . . . 0.0 110.956 . . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 99' ' ' ARG . . . . . 0.411 ' HG3' ' H ' ' A' ' 100' ' ' SER . 19.9 tpt180 -100.59 177.77 4.91 Favored 'General case' 0 C--N 1.333 -0.117 0 C-N-CA 124.25 1.02 . . . . 0.0 109.124 -179.632 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 100' ' ' SER . . . . . 0.411 ' H ' ' HG3' ' A' ' 99' ' ' ARG . 69.3 m -59.94 -18.27 43.94 Favored 'General case' 0 N--CA 1.455 -0.215 0 C-N-CA 122.939 0.496 . . . . 0.0 111.962 177.83 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 101' ' ' ALA . . . . . . . . . . . . . . . 52.13 17.72 0.74 Allowed 'General case' 0 CA--C 1.534 0.349 0 C-N-CA 124.084 0.954 . . . . 0.0 112.242 -177.213 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -148.16 7.95 0.82 Allowed 'General case' 0 N--CA 1.452 -0.327 0 C-N-CA 123.492 0.717 . . . . 0.0 111.45 -177.925 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 18.7 pt-20 -71.64 -6.15 38.87 Favored 'General case' 0 CA--C 1.532 0.251 0 N-CA-C 111.922 0.342 . . . . 0.0 111.922 -177.57 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 104' ' ' MET . . . . . . . . . . . . . 72.7 mtm -103.74 6.65 36.97 Favored 'General case' 0 CA--C 1.529 0.163 0 C-N-CA 123.846 0.858 . . . . 0.0 111.135 178.356 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 105' ' ' TYR . . . . . . . . . . . . . 60.3 m-85 -129.0 5.15 5.35 Favored 'General case' 0 CA--C 1.532 0.276 0 C-N-CA 123.171 0.588 . . . . 0.0 111.245 -177.675 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 106' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--N 1.336 0.555 0 N-CA-C 110.948 -0.861 . . . . 0.0 110.948 -179.719 . . . . . . . . 0 0 . 1 . 002 nuclear build core ' A' A ' 4' ' ' ASN . . . . . . . . . . . . . 3.4 p-10 . . . . . 0 CA--C 1.532 0.257 0 N-CA-C 111.307 0.114 . . . . 0.0 111.307 . . . . . . . . . 0 0 . 1 . 002 nuclear build core ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 90.5 t -99.79 136.18 32.14 Favored 'Isoleucine or valine' 0 C--O 1.233 0.213 0 C-N-CA 122.839 0.455 . . . . 0.0 111.117 -176.02 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 67.6 p -149.02 7.72 0.72 Allowed 'General case' 0 CA--C 1.529 0.147 0 C-N-CA 123.546 0.739 . . . . 0.0 111.955 -178.261 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 7' ' ' ASN . . . . . . . . . . . . . 45.4 t30 . . . . . 0 CA--C 1.534 0.342 0 O-C-N 121.171 -0.956 . . . . 0.0 112.715 -173.935 . . . . . . . . 0 0 . 1 . 002 nuclear build core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 78.2 p . . . . . 0 CA--C 1.53 0.196 0 N-CA-C 111.009 0.003 . . . . 0.0 111.009 . . . . . . . . . 0 0 . 1 . 002 nuclear build core ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 26.3 ttp-105 -100.67 151.59 21.46 Favored 'General case' 0 C--N 1.339 0.116 0 C-N-CA 123.345 0.658 . . . . 0.0 110.095 177.753 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 74.6 t -126.21 129.41 72.09 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.249 0 C-N-CA 123.207 0.603 . . . . 0.0 110.067 178.143 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 14.1 t80 -88.19 133.15 34.1 Favored 'General case' 0 N--CA 1.451 -0.376 0 N-CA-C 109.157 -0.682 . . . . 0.0 109.157 175.232 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 60.3 mt -120.91 84.63 0.86 Allowed 'Isoleucine or valine' 0 N--CA 1.457 -0.122 0 N-CA-C 108.002 -1.11 . . . . 0.0 108.002 179.184 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -85.13 173.92 48.88 Favored Glycine 0 CA--C 1.524 0.61 0 N-CA-C 110.928 -0.869 . . . . 0.0 110.928 178.389 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 64.8 t30 49.42 47.23 22.68 Favored 'General case' 0 CA--C 1.533 0.291 0 C-N-CA 122.97 0.508 . . . . 0.0 110.916 -179.1 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 57.8 tp -98.7 144.75 27.62 Favored 'General case' 0 N--CA 1.453 -0.284 0 C-N-CA 123.327 0.651 . . . . 0.0 109.391 179.982 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 4.9 t-20 -69.41 -42.3 75.25 Favored 'General case' 0 CA--C 1.53 0.197 0 CA-C-N 117.774 0.261 . . . . 0.0 110.946 -178.194 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 31.1 p 59.06 -7.2 0.05 OUTLIER 'General case' 0 N--CA 1.468 0.466 0 C-N-CA 127.125 2.17 . . . . 0.0 115.094 179.167 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 70.6 mt -79.63 -25.57 41.38 Favored 'General case' 0 N--CA 1.452 -0.33 0 CA-C-N 118.25 0.477 . . . . 0.0 111.661 175.862 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 49.3 t -119.68 -23.35 3.46 Favored 'Isoleucine or valine' 0 CA--C 1.531 0.237 0 C-N-CA 122.828 0.451 . . . . 0.0 111.627 -177.763 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 48.3 t -103.29 142.15 17.71 Favored 'Isoleucine or valine' 0 C--O 1.232 0.138 0 CA-C-N 118.107 0.412 . . . . 0.0 109.93 178.341 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 2.3 mptp? -134.45 172.95 12.19 Favored 'General case' 0 C--N 1.339 0.133 0 C-N-CA 123.66 0.784 . . . . 0.0 109.9 -178.51 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 11.3 ptmt -65.45 -6.47 10.55 Favored 'General case' 0 C--O 1.226 -0.158 0 C-N-CA 124.029 0.932 . . . . 0.0 112.102 179.586 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 36.6 m -98.0 -0.45 44.66 Favored 'General case' 0 CA--C 1.531 0.225 0 C-N-CA 123.566 0.746 . . . . 0.0 110.774 175.232 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 23.1 m-20 -115.54 -33.92 5.06 Favored 'General case' 0 N--CA 1.453 -0.314 0 C-N-CA 124.096 0.959 . . . . 0.0 110.659 179.89 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 75.0 t -62.72 -32.86 57.1 Favored 'Isoleucine or valine' 0 CA--C 1.528 0.124 0 N-CA-C 109.318 -0.623 . . . . 0.0 109.318 178.199 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 19.9 pt-20 -78.62 7.77 6.32 Favored 'General case' 0 CA--C 1.53 0.183 0 N-CA-C 112.033 0.383 . . . . 0.0 112.033 178.301 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -126.53 -7.52 6.3 Favored 'General case' 0 CA--C 1.532 0.259 0 C-N-CA 123.275 0.63 . . . . 0.0 111.007 176.919 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 80.5 mt -110.57 -26.92 2.99 Favored 'Isoleucine or valine' 0 CA--C 1.528 0.117 0 C-N-CA 123.071 0.548 . . . . 0.0 110.861 179.409 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 37' ' ' PHE . . . . . . . . . . . . . 67.2 m-85 -105.71 -5.88 19.59 Favored 'General case' 0 N--CA 1.455 -0.209 0 C-N-CA 122.492 0.317 . . . . 0.0 110.977 179.955 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 68.2 p -75.69 -14.37 60.35 Favored 'General case' 0 CA--C 1.524 -0.055 0 C-N-CA 122.621 0.369 . . . . 0.0 111.463 179.505 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 18.7 ptmt -81.69 -10.97 59.25 Favored 'General case' 0 CA--C 1.531 0.212 0 C-N-CA 123.022 0.529 . . . . 0.0 112.299 179.399 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 40' ' ' TYR . . . . . . . . . . . . . 68.9 m-85 -106.95 -14.38 14.97 Favored 'General case' 0 C--N 1.338 0.108 0 CA-C-N 117.867 0.303 . . . . 0.0 111.432 178.194 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -176.56 163.63 32.86 Favored Glycine 0 CA--C 1.523 0.573 0 N-CA-C 111.914 -0.475 . . . . 0.0 111.914 174.865 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 78.0 tttt -74.24 112.96 10.9 Favored 'General case' 0 N--CA 1.454 -0.26 0 N-CA-C 108.71 -0.848 . . . . 0.0 108.71 177.99 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 43' ' ' ILE . . . . . . . . . . . . . 74.4 mt -81.89 130.08 36.4 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.354 0 N-CA-C 109.545 -0.539 . . . . 0.0 109.545 -179.223 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 34.0 m -108.87 -8.42 11.19 Favored 'Isoleucine or valine' 0 C--O 1.228 -0.043 0 C-N-CA 123.3 0.64 . . . . 0.0 110.622 178.549 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . -169.63 148.65 12.16 Favored Glycine 0 CA--C 1.524 0.626 0 N-CA-C 109.85 -1.3 . . . . 0.0 109.85 177.621 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 46' ' ' CYS . . . . . . . . . . . . . 26.4 p -153.14 152.47 31.31 Favored 'General case' 0 N--CA 1.449 -0.48 0 CA-C-N 116.95 0.375 . . . . 0.0 110.042 179.913 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 96.4 p -155.54 149.81 25.84 Favored 'General case' 0 N--CA 1.454 -0.272 0 CA-C-O 120.957 0.408 . . . . 0.0 110.102 177.187 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 48' ' ' VAL . . . . . . . . . . . . . 98.6 t -125.94 146.36 31.85 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.235 0 N-CA-C 108.947 -0.76 . . . . 0.0 108.947 175.391 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 49' ' ' HIS . . . . . . . . . . . . . 51.4 m-70 -134.38 -166.06 1.75 Allowed 'General case' 0 N--CA 1.446 -0.635 0 C-N-CA 124.298 1.039 . . . . 0.0 108.39 -176.619 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 75.5 mmtt -87.74 116.62 26.02 Favored 'General case' 0 N--CA 1.457 -0.112 0 O-C-N 122.002 -0.436 . . . . 0.0 109.904 176.26 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 81.4 -7.84 60.05 Favored Glycine 0 CA--C 1.531 1.048 0 CA-C-O 119.107 -0.829 . . . . 0.0 113.77 178.238 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 44.1 p90 -152.82 171.95 17.47 Favored 'General case' 0 CA--C 1.528 0.111 0 CA-C-N 119.058 1.429 . . . . 0.0 111.703 178.543 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -150.63 172.55 15.35 Favored 'General case' 0 N--CA 1.453 -0.286 0 C-N-CA 124.092 0.957 . . . . 0.0 110.214 177.479 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 54' ' ' PHE . . . . . . . . . . . . . 12.2 m-85 -140.05 147.6 40.56 Favored 'General case' 0 N--CA 1.454 -0.258 0 C-N-CA 123.777 0.831 . . . . 0.0 110.702 178.852 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 93.9 t -135.51 138.3 48.41 Favored 'Isoleucine or valine' 0 CA--C 1.517 -0.315 0 C-N-CA 123.665 0.786 . . . . 0.0 109.368 177.55 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 56' ' ' GLN . . . . . . . . . . . . . 62.9 tp60 -117.99 129.58 55.67 Favored 'General case' 0 N--CA 1.451 -0.408 0 N-CA-C 109.381 -0.6 . . . . 0.0 109.381 -177.572 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 57' ' ' TYR . . . . . . . . . . . . . 44.2 m-85 -112.43 176.11 5.15 Favored 'General case' 0 N--CA 1.455 -0.176 0 C-N-CA 123.426 0.69 . . . . 0.0 111.043 -179.976 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 58' ' ' VAL . . . . . . . . . . . . . 77.5 t -72.32 -31.34 38.44 Favored 'Isoleucine or valine' 0 CA--C 1.528 0.112 0 CA-C-N 116.36 -0.382 . . . . 0.0 110.273 178.539 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 59' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -155.33 168.68 26.29 Favored 'General case' 0 N--CA 1.453 -0.294 0 N-CA-C 112.108 0.41 . . . . 0.0 112.108 178.734 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 84.9 tt0 -59.01 -30.94 68.37 Favored 'General case' 0 CA--C 1.53 0.175 0 C-N-CA 123.75 0.82 . . . . 0.0 112.321 -178.184 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 23.0 tpt180 -59.11 -39.32 81.91 Favored 'General case' 0 CA--C 1.52 -0.193 0 CA-C-N 119.064 0.847 . . . . 0.0 110.067 179.619 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 62' ' ' ASN . . . . . . . . . . . . . 19.5 m120 -71.22 -25.72 62.62 Favored 'General case' 0 N--CA 1.448 -0.564 0 C-N-CA 120.943 -0.303 . . . . 0.0 110.904 -179.481 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -74.82 -38.01 62.17 Favored 'General case' 0 N--CA 1.451 -0.414 0 N-CA-C 110.439 -0.208 . . . . 0.0 110.439 177.778 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 64' ' ' ARG . . . . . . . . . . . . . 36.8 mmt180 -68.57 -26.15 65.26 Favored 'General case' 0 C--N 1.337 0.05 0 O-C-N 122.405 -0.184 . . . . 0.0 110.737 179.141 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -80.27 -32.39 38.24 Favored 'General case' 0 N--CA 1.455 -0.186 0 CA-C-N 117.512 0.142 . . . . 0.0 111.06 -179.616 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -81.71 -35.08 30.2 Favored 'General case' 0 N--CA 1.451 -0.39 0 O-C-N 122.435 -0.166 . . . . 0.0 111.082 179.015 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 67' ' ' VAL . . . . . . . . . . . . . 44.3 t -65.04 -34.2 68.97 Favored 'Isoleucine or valine' 0 C--O 1.227 -0.128 0 N-CA-C 110.022 -0.362 . . . . 0.0 110.022 175.604 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -91.14 -10.66 41.05 Favored 'General case' 0 N--CA 1.457 -0.121 0 N-CA-C 112.03 0.381 . . . . 0.0 112.03 178.585 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . -101.77 -13.91 30.86 Favored Glycine 0 CA--C 1.529 0.96 0 CA-C-O 119.263 -0.743 . . . . 0.0 113.878 -178.032 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 45.5 mm-40 -133.08 -20.69 2.15 Favored 'General case' 0 N--CA 1.464 0.257 0 CA-C-N 118.714 1.257 . . . . 0.0 112.476 -173.683 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 19.5 t0 -61.74 117.88 6.41 Favored 'General case' 0 N--CA 1.454 -0.249 0 CA-C-N 119.185 0.902 . . . . 0.0 110.192 178.816 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . 87.62 9.88 71.2 Favored Glycine 0 CA--C 1.523 0.54 0 N-CA-C 110.96 -0.856 . . . . 0.0 110.96 179.523 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 73' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -75.38 169.8 17.35 Favored 'General case' 0 N--CA 1.453 -0.279 0 N-CA-C 106.289 -1.745 . . . . 0.0 106.289 171.727 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 74' ' ' MET . . . . . . . . . . . . . 33.3 ttm -115.3 120.57 40.09 Favored 'General case' 0 N--CA 1.448 -0.526 0 N-CA-C 109.139 -0.689 . . . . 0.0 109.139 -176.945 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 75' ' ' ILE . . . . . . . . . . . . . 0.2 OUTLIER -127.76 135.68 62.41 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.317 0 CA-C-N 115.975 -0.557 . . . . 0.0 109.541 179.437 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . 54.54 17.44 1.64 Allowed 'General case' 0 CA--C 1.536 0.412 0 C-N-CA 123.181 0.592 . . . . 0.0 112.291 -174.391 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 89.92 4.4 72.32 Favored Glycine 0 CA--C 1.527 0.794 0 CA-C-O 119.647 -0.529 . . . . 0.0 112.072 -179.476 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 78' ' ' GLN . . . . . . . . . . . . . 1.0 OUTLIER -124.7 131.94 53.42 Favored 'General case' 0 N--CA 1.449 -0.508 0 CA-C-N 117.775 0.788 . . . . 0.0 110.335 -179.726 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 79' ' ' VAL . . . . . . . . . . . . . 48.5 t -63.93 140.7 19.25 Favored 'Isoleucine or valine' 0 CA--C 1.522 -0.101 0 C-N-CA 124.372 1.069 . . . . 0.0 110.323 -178.733 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 30.6 mt -94.73 156.48 16.37 Favored 'General case' 0 C--O 1.23 0.071 0 CA-C-O 120.853 0.358 . . . . 0.0 111.347 177.433 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 81' ' ' ASP . . . . . . . . . . . . . 36.1 t70 -122.52 98.25 5.83 Favored 'General case' 0 N--CA 1.452 -0.374 0 N-CA-C 108.193 -1.04 . . . . 0.0 108.193 176.306 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 82' ' ' ILE . . . . . . . . . . . . . 64.2 mt -115.31 139.88 39.51 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.23 0 C-N-CA 122.947 0.499 . . . . 0.0 110.566 -170.015 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 83' ' ' ASN . . . . . . . . . . . . . 1.9 p-10 -157.8 165.45 35.29 Favored 'General case' 0 N--CA 1.452 -0.338 0 CA-C-O 121.085 0.469 . . . . 0.0 111.597 -179.624 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 84' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -61.69 130.74 47.28 Favored 'General case' 0 N--CA 1.452 -0.345 0 C-N-CA 124.049 0.94 . . . . 0.0 108.754 175.398 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.532 0.266 0 N-CA-C 114.142 1.164 . . . . 0.0 114.142 -174.544 . . . . . . . . 0 0 . 1 . 002 nuclear build core ' A' A ' 98' ' ' LYS . . . . . . . . . . . . . 60.2 mttm . . . . . 0 C--O 1.231 0.082 0 CA-C-O 120.622 0.249 . . . . 0.0 111.261 . . . . . . . . . 0 0 . 1 . 002 nuclear build core ' A' A ' 99' ' ' ARG . . . . . . . . . . . . . 60.4 mtt-85 -133.35 173.74 11.14 Favored 'General case' 0 N--CA 1.454 -0.265 0 C-N-CA 124.48 1.112 . . . . 0.0 111.095 -177.891 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 68.8 m -69.51 -13.86 62.56 Favored 'General case' 0 N--CA 1.452 -0.351 0 C-N-CA 123.125 0.57 . . . . 0.0 111.316 177.997 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 101' ' ' ALA . . . . . . . . . . . . . . . 51.88 18.4 0.78 Allowed 'General case' 0 CA--C 1.532 0.263 0 C-N-CA 124.138 0.975 . . . . 0.0 112.291 -175.777 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -152.57 4.27 0.36 Allowed 'General case' 0 N--CA 1.453 -0.282 0 C-N-CA 123.205 0.602 . . . . 0.0 112.132 -176.55 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 2.5 pm0 -74.45 -4.27 35.64 Favored 'General case' 0 CA--C 1.531 0.249 0 O-C-N 121.809 -0.557 . . . . 0.0 112.241 -176.783 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 104' ' ' MET . . . . . . . . . . . . . 75.2 mtm -111.15 12.35 21.88 Favored 'General case' 0 CA--C 1.531 0.223 0 C-N-CA 123.683 0.793 . . . . 0.0 111.225 179.179 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 105' ' ' TYR . . . . . . . . . . . . . 70.6 m-85 -127.11 2.03 6.48 Favored 'General case' 0 CA--C 1.532 0.257 0 C-N-CA 122.786 0.434 . . . . 0.0 111.546 -178.106 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 106' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--N 1.339 0.706 0 N-CA-C 111.2 -0.76 . . . . 0.0 111.2 179.411 . . . . . . . . 0 0 . 1 . 003 nuclear build core ' A' A ' 4' ' ' ASN . . . . . . . . . . . . . 2.7 p-10 . . . . . 0 CA--C 1.532 0.26 0 N-CA-C 111.912 0.338 . . . . 0.0 111.912 . . . . . . . . . 0 0 . 1 . 003 nuclear build core ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 92.5 t -101.91 133.84 44.21 Favored 'Isoleucine or valine' 0 N--CA 1.457 -0.085 0 C-N-CA 123.203 0.601 . . . . 0.0 110.903 -176.238 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 47.1 p -147.75 11.49 0.97 Allowed 'General case' 0 CA--C 1.531 0.219 0 C-N-CA 123.401 0.68 . . . . 0.0 112.11 179.956 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 7' ' ' ASN . . . . . . . . . . . . . 64.3 t-20 . . . . . 0 CA--C 1.532 0.256 0 CA-C-N 119.436 1.017 . . . . 0.0 111.811 -178.742 . . . . . . . . 0 0 . 1 . 003 nuclear build core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 16.3 m . . . . . 0 N--CA 1.456 -0.144 0 CA-C-O 120.504 0.192 . . . . 0.0 110.682 . . . . . . . . . 0 0 . 1 . 003 nuclear build core ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 36.4 ttm180 -113.18 155.39 25.1 Favored 'General case' 0 N--CA 1.452 -0.339 0 C-N-CA 124.714 1.206 . . . . 0.0 109.898 -176.961 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 74.6 t -130.28 131.9 65.3 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.447 0 CA-C-O 120.785 0.326 . . . . 0.0 110.262 178.874 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 26.0 t80 -90.76 133.62 35.04 Favored 'General case' 0 N--CA 1.451 -0.413 0 C-N-CA 123.625 0.77 . . . . 0.0 108.993 174.265 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 59.5 mt -121.21 84.05 0.83 Allowed 'Isoleucine or valine' 0 N--CA 1.456 -0.152 0 N-CA-C 107.765 -1.198 . . . . 0.0 107.765 179.445 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -84.0 173.3 50.42 Favored Glycine 0 CA--C 1.525 0.704 0 N-CA-C 110.75 -0.94 . . . . 0.0 110.75 178.398 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 61.1 t30 49.88 46.53 24.11 Favored 'General case' 0 N--CA 1.453 -0.275 0 C-N-CA 123.001 0.521 . . . . 0.0 110.8 -179.02 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 56.3 tp -98.46 143.9 28.39 Favored 'General case' 0 N--CA 1.454 -0.238 0 N-CA-C 109.418 -0.586 . . . . 0.0 109.418 179.25 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 64.1 t30 -68.84 -36.12 77.78 Favored 'General case' 0 CA--C 1.529 0.168 0 C-N-CA 121.158 -0.217 . . . . 0.0 111.158 -177.148 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 56.2 p 52.68 3.8 0.03 OUTLIER 'General case' 0 N--CA 1.466 0.328 0 C-N-CA 126.592 1.957 . . . . 0.0 115.036 178.645 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 7.0 mp -97.55 -16.28 20.14 Favored 'General case' 0 CA--C 1.531 0.225 0 C-N-CA 123.364 0.666 . . . . 0.0 111.043 176.961 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 58.8 t -125.68 -20.56 2.61 Favored 'Isoleucine or valine' 0 C--O 1.227 -0.089 0 C-N-CA 122.502 0.321 . . . . 0.0 110.564 179.676 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 52.0 t -106.8 141.73 21.33 Favored 'Isoleucine or valine' 0 C--N 1.338 0.073 0 N-CA-C 110.144 -0.317 . . . . 0.0 110.144 177.292 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 2.3 mptp? -134.23 173.44 11.6 Favored 'General case' 0 N--CA 1.456 -0.135 0 C-N-CA 123.673 0.789 . . . . 0.0 109.973 -179.783 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 9.4 ptmt -67.42 -4.1 10.24 Favored 'General case' 0 CA--C 1.528 0.124 0 C-N-CA 123.56 0.744 . . . . 0.0 111.926 179.314 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 39.6 m -97.84 -0.2 45.57 Favored 'General case' 0 CA--C 1.532 0.278 0 C-N-CA 123.648 0.779 . . . . 0.0 110.709 173.819 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 26.8 m-20 -117.21 -33.12 4.77 Favored 'General case' 0 N--CA 1.453 -0.288 0 C-N-CA 124.016 0.926 . . . . 0.0 110.691 -179.248 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 79.2 t -63.05 -31.57 53.09 Favored 'Isoleucine or valine' 0 C--O 1.231 0.083 0 O-C-N 121.799 -0.563 . . . . 0.0 109.569 178.193 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 19.4 pt-20 -78.84 7.04 7.74 Favored 'General case' 0 CA--C 1.53 0.183 0 N-CA-C 111.99 0.367 . . . . 0.0 111.99 178.198 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -126.54 -7.69 6.29 Favored 'General case' 0 N--CA 1.453 -0.275 0 C-N-CA 123.096 0.558 . . . . 0.0 111.382 177.235 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 74.7 mt -109.89 -28.81 2.58 Favored 'Isoleucine or valine' 0 CA--C 1.527 0.083 0 C-N-CA 122.824 0.449 . . . . 0.0 110.811 178.912 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 37' ' ' PHE . . . . . . . . . . . . . 61.3 m-85 -102.17 -9.2 20.69 Favored 'General case' 0 N--CA 1.455 -0.206 0 C-N-CA 122.46 0.304 . . . . 0.0 110.83 179.784 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 66.2 p -72.22 -14.61 61.83 Favored 'General case' 0 C--O 1.231 0.129 0 C-N-CA 122.584 0.354 . . . . 0.0 111.643 -178.801 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 12.8 ptmm? -82.88 -10.0 59.04 Favored 'General case' 0 N--CA 1.455 -0.216 0 C-N-CA 123.202 0.601 . . . . 0.0 112.231 178.91 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 40' ' ' TYR . . . . . . . . . . . . . 86.7 m-85 -106.58 -14.88 14.92 Favored 'General case' 0 C--N 1.339 0.14 0 C-N-CA 122.55 0.34 . . . . 0.0 111.332 177.894 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -176.63 162.09 30.44 Favored Glycine 0 CA--C 1.524 0.622 0 N-CA-C 111.807 -0.517 . . . . 0.0 111.807 174.545 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 79.1 tttt -73.5 113.19 10.32 Favored 'General case' 0 N--CA 1.453 -0.324 0 N-CA-C 108.892 -0.781 . . . . 0.0 108.892 177.742 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 43' ' ' ILE . . . . . . . . . . . . . 73.9 mt -83.05 131.1 34.54 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.395 0 N-CA-C 109.622 -0.51 . . . . 0.0 109.622 -177.983 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 33.4 m -109.2 -8.98 11.32 Favored 'Isoleucine or valine' 0 CA--C 1.527 0.082 0 C-N-CA 123.132 0.573 . . . . 0.0 110.604 178.419 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . -169.01 147.1 10.82 Favored Glycine 0 CA--C 1.525 0.665 0 N-CA-C 109.798 -1.321 . . . . 0.0 109.798 177.635 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 46' ' ' CYS . . . . . . . . . . . . . 27.2 p -152.37 152.96 32.7 Favored 'General case' 0 N--CA 1.451 -0.384 0 N-CA-C 109.817 -0.438 . . . . 0.0 109.817 179.171 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 21.9 t -157.01 151.74 25.71 Favored 'General case' 0 N--CA 1.451 -0.418 0 N-CA-C 110.114 -0.328 . . . . 0.0 110.114 177.009 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 48' ' ' VAL . . . . . . . . . . . . . 98.1 t -127.82 146.51 33.34 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.303 0 N-CA-C 109.127 -0.694 . . . . 0.0 109.127 176.947 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 49' ' ' HIS . . . . . . . . . . . . . 49.1 m80 -133.47 -163.26 1.33 Allowed 'General case' 0 N--CA 1.451 -0.406 0 N-CA-C 107.7 -1.222 . . . . 0.0 107.7 -176.704 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 57.7 mtpt -91.56 121.12 32.95 Favored 'General case' 0 N--CA 1.454 -0.257 0 CA-C-N 118.312 0.506 . . . . 0.0 109.762 175.1 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 78.87 -9.36 38.19 Favored Glycine 0 CA--C 1.531 1.046 0 CA-C-O 119.182 -0.788 . . . . 0.0 113.558 178.867 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 50.1 p90 -151.58 170.25 20.13 Favored 'General case' 0 C--O 1.231 0.096 0 CA-C-N 119.01 1.405 . . . . 0.0 111.866 178.341 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -149.69 172.0 15.79 Favored 'General case' 0 N--CA 1.452 -0.356 0 C-N-CA 124.304 1.042 . . . . 0.0 110.188 176.72 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 54' ' ' PHE . . . . . . . . . . . . . 17.2 m-85 -139.99 149.17 42.91 Favored 'General case' 0 N--CA 1.454 -0.241 0 C-N-CA 123.516 0.726 . . . . 0.0 110.901 -179.829 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 92.2 t -136.88 146.33 28.57 Favored 'Isoleucine or valine' 0 CA--C 1.518 -0.261 0 C-N-CA 123.853 0.861 . . . . 0.0 108.926 177.532 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 56' ' ' GLN . . . . . . . . . . . . . 67.9 tp60 -126.45 133.27 51.26 Favored 'General case' 0 N--CA 1.45 -0.445 0 N-CA-C 109.161 -0.681 . . . . 0.0 109.161 -179.82 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 57' ' ' TYR . . . . . . . . . . . . . 51.6 m-85 -115.51 175.42 5.53 Favored 'General case' 0 N--CA 1.454 -0.27 0 C-N-CA 123.609 0.764 . . . . 0.0 110.853 -179.054 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 58' ' ' VAL . . . . . . . . . . . . . 77.0 t -71.07 -30.04 39.37 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.276 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.297 179.399 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 59' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -157.55 168.48 27.17 Favored 'General case' 0 N--CA 1.454 -0.236 0 CA-C-O 120.798 0.332 . . . . 0.0 111.879 177.202 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 65.0 tt0 -57.12 -31.74 65.61 Favored 'General case' 0 N--CA 1.455 -0.188 0 C-N-CA 123.578 0.751 . . . . 0.0 112.559 -178.802 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 25.5 tpt180 -58.55 -40.05 81.93 Favored 'General case' 0 N--CA 1.462 0.17 0 CA-C-N 118.965 0.802 . . . . 0.0 110.042 -179.506 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 62' ' ' ASN . . . . . . . . . . . . . 18.8 m120 -71.16 -25.04 62.38 Favored 'General case' 0 N--CA 1.45 -0.442 0 C-N-CA 120.704 -0.398 . . . . 0.0 110.73 -179.349 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -76.18 -36.69 58.57 Favored 'General case' 0 N--CA 1.454 -0.262 0 O-C-N 122.291 -0.256 . . . . 0.0 110.377 177.785 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 64' ' ' ARG . . . . . . . . . . . . . 41.4 mmt180 -68.01 -26.42 65.89 Favored 'General case' 0 N--CA 1.462 0.137 0 N-CA-C 110.33 -0.248 . . . . 0.0 110.33 178.132 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -80.36 -33.21 37.44 Favored 'General case' 0 N--CA 1.452 -0.341 0 C-N-CA 121.921 0.088 . . . . 0.0 110.796 -178.468 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -80.64 -35.78 33.47 Favored 'General case' 0 N--CA 1.453 -0.317 0 O-C-N 122.277 -0.265 . . . . 0.0 111.225 178.415 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 67' ' ' VAL . . . . . . . . . . . . . 44.0 t -63.99 -33.66 63.61 Favored 'Isoleucine or valine' 0 C--O 1.226 -0.134 0 N-CA-C 109.879 -0.415 . . . . 0.0 109.879 175.646 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -91.53 -9.89 42.69 Favored 'General case' 0 N--CA 1.452 -0.362 0 O-C-N 121.973 -0.454 . . . . 0.0 112.117 178.09 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . -102.53 -14.35 27.9 Favored Glycine 0 CA--C 1.531 1.039 0 CA-C-O 119.05 -0.861 . . . . 0.0 113.749 -177.158 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 70' ' ' GLU . . . . . 0.4 ' CD ' ' HE ' ' A' ' 73' ' ' ARG . 24.7 mm-40 -133.26 -19.6 2.18 Favored 'General case' 0 N--CA 1.462 0.131 0 CA-C-N 118.803 1.302 . . . . 0.0 112.816 -174.041 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 19.4 t0 -62.34 117.05 5.6 Favored 'General case' 0 N--CA 1.455 -0.194 0 O-C-N 121.146 -0.971 . . . . 0.0 110.042 179.055 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . 87.79 10.22 70.13 Favored Glycine 0 C--N 1.339 0.696 0 N-CA-C 111.103 -0.799 . . . . 0.0 111.103 179.553 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 73' ' ' ARG . . . . . 0.4 ' HE ' ' CD ' ' A' ' 70' ' ' GLU . 0.1 OUTLIER -76.32 168.67 19.64 Favored 'General case' 0 N--CA 1.453 -0.319 0 N-CA-C 106.543 -1.651 . . . . 0.0 106.543 171.681 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 74' ' ' MET . . . . . . . . . . . . . 32.5 ttm -113.65 122.35 46.92 Favored 'General case' 0 N--CA 1.451 -0.421 0 N-CA-C 109.178 -0.675 . . . . 0.0 109.178 -176.73 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 75' ' ' ILE . . . . . . . . . . . . . 0.3 OUTLIER -130.18 136.26 59.07 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.331 0 CA-C-N 115.838 -0.619 . . . . 0.0 109.538 179.605 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . 54.49 18.05 1.83 Allowed 'General case' 0 CA--C 1.533 0.314 0 C-N-CA 123.186 0.595 . . . . 0.0 112.117 -174.271 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 88.71 4.33 76.1 Favored Glycine 0 CA--C 1.528 0.846 0 CA-C-O 119.68 -0.511 . . . . 0.0 112.435 -178.852 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 78' ' ' GLN . . . . . . . . . . . . . 1.0 OUTLIER -125.08 132.69 53.12 Favored 'General case' 0 N--CA 1.45 -0.457 0 CA-C-N 117.783 0.792 . . . . 0.0 110.313 -179.354 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 79' ' ' VAL . . . . . . . . . . . . . 49.1 t -64.23 141.29 18.38 Favored 'Isoleucine or valine' 0 N--CA 1.46 0.073 0 C-N-CA 124.248 1.019 . . . . 0.0 110.585 -179.137 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 30.6 mt -95.15 158.13 15.59 Favored 'General case' 0 CA--C 1.523 -0.058 0 CA-C-O 120.756 0.313 . . . . 0.0 111.399 177.02 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 81' ' ' ASP . . . . . . . . . . . . . 25.5 t0 -123.12 100.94 7.12 Favored 'General case' 0 N--CA 1.453 -0.312 0 N-CA-C 108.041 -1.096 . . . . 0.0 108.041 175.219 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 82' ' ' ILE . . . . . . . . . . . . . 64.8 mt -117.11 138.97 46.04 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.226 0 C-N-CA 123.099 0.56 . . . . 0.0 110.713 -170.435 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 83' ' ' ASN . . . . . . . . . . . . . 2.0 p-10 -159.3 167.18 29.56 Favored 'General case' 0 N--CA 1.456 -0.159 0 C-N-CA 123.218 0.607 . . . . 0.0 109.711 177.821 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 84' ' ' LEU . . . . . . . . . . . . . 3.4 tp -59.78 140.1 56.8 Favored 'General case' 0 N--CA 1.452 -0.369 0 N-CA-C 109.587 -0.523 . . . . 0.0 109.587 176.968 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.531 0.227 0 N-CA-C 112.719 0.637 . . . . 0.0 112.719 -178.152 . . . . . . . . 0 0 . 1 . 003 nuclear build core ' A' A ' 98' ' ' LYS . . . . . . . . . . . . . 90.0 mttt . . . . . 0 CA--C 1.529 0.139 0 CA-C-O 120.771 0.319 . . . . 0.0 110.441 . . . . . . . . . 0 0 . 1 . 003 nuclear build core ' A' A ' 99' ' ' ARG . . . . . 0.455 ' HG3' ' H ' ' A' ' 100' ' ' SER . 19.1 tpt180 -127.39 175.19 8.39 Favored 'General case' 0 CA--C 1.529 0.162 0 C-N-CA 124.262 1.025 . . . . 0.0 109.123 -178.749 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 100' ' ' SER . . . . . 0.455 ' H ' ' HG3' ' A' ' 99' ' ' ARG . 60.6 m -63.96 -12.97 42.43 Favored 'General case' 0 N--CA 1.456 -0.145 0 C-N-CA 123.336 0.655 . . . . 0.0 112.676 -178.576 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 101' ' ' ALA . . . . . . . . . . . . . . . 53.38 17.09 0.99 Allowed 'General case' 0 CA--C 1.534 0.355 0 C-N-CA 124.022 0.929 . . . . 0.0 112.281 -176.04 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -150.3 6.29 0.57 Allowed 'General case' 0 CA--C 1.532 0.273 0 C-N-CA 123.2 0.6 . . . . 0.0 111.628 -178.256 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 103' ' ' GLU . . . . . 0.607 ' CD ' ' H ' ' A' ' 103' ' ' GLU . 3.2 pm0 -66.49 -6.78 16.01 Favored 'General case' 0 N--CA 1.454 -0.265 0 C-N-CA 124.28 1.032 . . . . 0.0 113.293 -176.575 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 104' ' ' MET . . . . . . . . . . . . . 75.8 mtm -108.08 8.3 28.12 Favored 'General case' 0 N--CA 1.456 -0.149 0 C-N-CA 123.531 0.732 . . . . 0.0 111.182 177.7 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 105' ' ' TYR . . . . . . . . . . . . . 33.4 m-85 -132.88 0.94 3.56 Favored 'General case' 0 CA--C 1.533 0.324 0 C-N-CA 122.686 0.394 . . . . 0.0 111.85 -178.12 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 106' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.524 0.629 0 N-CA-C 111.097 -0.801 . . . . 0.0 111.097 -179.872 . . . . . . . . 0 0 . 1 . 004 nuclear build core ' A' A ' 4' ' ' ASN . . . . . . . . . . . . . 2.7 p-10 . . . . . 0 CA--C 1.528 0.103 0 N-CA-C 112.053 0.39 . . . . 0.0 112.053 . . . . . . . . . 0 0 . 1 . 004 nuclear build core ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 94.6 t -100.03 134.49 39.38 Favored 'Isoleucine or valine' 0 N--CA 1.458 -0.059 0 C-N-CA 122.962 0.505 . . . . 0.0 110.528 -176.343 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 60.1 p -147.38 9.41 0.94 Allowed 'General case' 0 C--O 1.226 -0.133 0 C-N-CA 123.237 0.615 . . . . 0.0 112.241 -179.88 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 7' ' ' ASN . . . . . . . . . . . . . 63.3 t-20 . . . . . 0 N--CA 1.455 -0.219 0 CA-C-N 119.303 0.956 . . . . 0.0 111.151 -178.642 . . . . . . . . 0 0 . 1 . 004 nuclear build core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 56.8 p . . . . . 0 CA--C 1.529 0.152 0 N-CA-C 111.537 0.199 . . . . 0.0 111.537 . . . . . . . . . 0 0 . 1 . 004 nuclear build core ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 28.7 ttp-105 -107.62 151.94 24.96 Favored 'General case' 0 N--CA 1.457 -0.118 0 C-N-CA 123.758 0.823 . . . . 0.0 110.29 178.587 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 71.7 t -125.68 131.45 71.99 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.268 0 C-N-CA 122.947 0.499 . . . . 0.0 110.349 178.893 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 31.8 t80 -89.09 133.72 34.27 Favored 'General case' 0 N--CA 1.451 -0.381 0 CA-C-N 115.636 -0.711 . . . . 0.0 109.212 174.279 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 65.9 mt -120.72 85.41 0.92 Allowed 'Isoleucine or valine' 0 CA--C 1.521 -0.149 0 N-CA-C 108.112 -1.07 . . . . 0.0 108.112 178.572 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -84.34 173.45 49.93 Favored Glycine 0 CA--C 1.526 0.76 0 N-CA-C 110.668 -0.973 . . . . 0.0 110.668 178.269 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 58.7 t30 49.73 45.87 24.29 Favored 'General case' 0 CA--C 1.531 0.22 0 C-N-CA 123.106 0.562 . . . . 0.0 111.163 -178.855 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 49.2 tp -96.13 142.99 27.65 Favored 'General case' 0 CA--C 1.531 0.243 0 N-CA-C 109.419 -0.585 . . . . 0.0 109.419 179.299 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 5.7 t-20 -67.88 -39.74 83.64 Favored 'General case' 0 CA--C 1.529 0.141 0 O-C-N 122.245 -0.285 . . . . 0.0 111.079 -177.973 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 42.4 p 55.57 -2.53 0.03 OUTLIER 'General case' 0 N--CA 1.465 0.313 0 C-N-CA 127.242 2.217 . . . . 0.0 115.362 178.845 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 64.5 mt -83.87 -23.61 31.21 Favored 'General case' 0 N--CA 1.453 -0.308 0 C-N-CA 123.115 0.566 . . . . 0.0 111.83 174.638 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 56.1 t -122.53 -23.67 2.68 Favored 'Isoleucine or valine' 0 N--CA 1.461 0.095 0 C-N-CA 122.444 0.298 . . . . 0.0 111.45 -178.341 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 59.5 t -103.58 136.25 37.36 Favored 'Isoleucine or valine' 0 CA--C 1.522 -0.13 0 N-CA-C 109.835 -0.432 . . . . 0.0 109.835 178.308 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 3.7 mppt? -129.42 173.7 10.31 Favored 'General case' 0 CA--C 1.523 -0.071 0 C-N-CA 123.305 0.642 . . . . 0.0 110.073 -177.863 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 9.1 ptmt -66.7 -3.34 6.38 Favored 'General case' 0 N--CA 1.464 0.246 0 C-N-CA 123.935 0.894 . . . . 0.0 112.117 -179.8 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 35.3 m -101.73 0.62 36.27 Favored 'General case' 0 N--CA 1.456 -0.174 0 C-N-CA 123.767 0.827 . . . . 0.0 110.837 174.415 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 37.1 m-20 -116.43 -34.37 4.62 Favored 'General case' 0 N--CA 1.453 -0.3 0 C-N-CA 123.941 0.896 . . . . 0.0 110.835 -179.624 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 33' ' ' VAL . . . . . 0.408 HG13 ' CD1' ' A' ' 37' ' ' PHE . 99.0 t -65.08 -31.38 53.69 Favored 'Isoleucine or valine' 0 N--CA 1.457 -0.12 0 N-CA-C 109.126 -0.694 . . . . 0.0 109.126 179.68 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 25.1 pt-20 -78.47 7.16 7.05 Favored 'General case' 0 CA--C 1.532 0.268 0 C-N-CA 122.476 0.31 . . . . 0.0 111.769 177.808 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -126.01 -8.02 6.59 Favored 'General case' 0 N--CA 1.455 -0.224 0 C-N-CA 123.213 0.605 . . . . 0.0 110.943 177.355 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 70.7 mt -108.92 -28.4 2.73 Favored 'Isoleucine or valine' 0 C--N 1.338 0.1 0 C-N-CA 122.988 0.515 . . . . 0.0 110.628 178.266 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 37' ' ' PHE . . . . . 0.408 ' CD1' HG13 ' A' ' 33' ' ' VAL . 56.5 m-85 -101.15 -9.03 21.7 Favored 'General case' 0 N--CA 1.454 -0.253 0 C-N-CA 122.756 0.423 . . . . 0.0 111.097 -179.964 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 66.9 p -71.95 -14.71 61.99 Favored 'General case' 0 C--N 1.338 0.079 0 C-N-CA 122.721 0.408 . . . . 0.0 111.675 -178.785 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 18.2 ptmt -82.91 -10.85 58.62 Favored 'General case' 0 CA--C 1.528 0.12 0 C-N-CA 123.327 0.651 . . . . 0.0 112.38 178.894 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 40' ' ' TYR . . . . . . . . . . . . . 79.6 m-85 -105.53 -14.6 15.24 Favored 'General case' 0 C--N 1.34 0.174 0 C-N-CA 122.467 0.307 . . . . 0.0 111.412 177.628 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -176.97 160.62 27.86 Favored Glycine 0 CA--C 1.522 0.499 0 N-CA-C 111.759 -0.537 . . . . 0.0 111.759 174.517 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 78.0 tttt -71.56 113.41 8.57 Favored 'General case' 0 N--CA 1.452 -0.336 0 N-CA-C 108.863 -0.791 . . . . 0.0 108.863 177.477 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 43' ' ' ILE . . . . . . . . . . . . . 77.6 mt -82.77 129.93 36.59 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.279 0 N-CA-C 109.635 -0.506 . . . . 0.0 109.635 -178.463 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 32.9 m -108.08 -6.42 10.73 Favored 'Isoleucine or valine' 0 CA--C 1.527 0.069 0 C-N-CA 123.294 0.637 . . . . 0.0 110.69 178.961 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . -171.32 146.13 9.33 Favored Glycine 0 CA--C 1.523 0.559 0 N-CA-C 110.051 -1.219 . . . . 0.0 110.051 177.202 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 46' ' ' CYS . . . . . . . . . . . . . 42.1 t -149.91 145.03 26.28 Favored 'General case' 0 N--CA 1.45 -0.435 0 CA-C-N 117.088 0.444 . . . . 0.0 110.125 -179.599 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 23.0 t -154.11 149.91 27.6 Favored 'General case' 0 N--CA 1.452 -0.33 0 N-CA-C 110.012 -0.366 . . . . 0.0 110.012 177.344 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 48' ' ' VAL . . . . . . . . . . . . . 92.7 t -125.74 149.8 30.72 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.368 0 N-CA-C 108.967 -0.753 . . . . 0.0 108.967 178.248 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 49' ' ' HIS . . . . . . . . . . . . . 51.5 m-70 -137.47 -170.25 2.7 Favored 'General case' 0 N--CA 1.449 -0.524 0 N-CA-C 107.912 -1.144 . . . . 0.0 107.912 -177.32 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 61.6 tttm -86.12 116.99 24.66 Favored 'General case' 0 N--CA 1.452 -0.348 0 O-C-N 121.763 -0.585 . . . . 0.0 110.281 179.623 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 80.73 -8.4 55.72 Favored Glycine 0 CA--C 1.533 1.179 0 CA-C-O 119.3 -0.722 . . . . 0.0 113.718 179.219 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 48.1 p90 -150.93 168.06 25.68 Favored 'General case' 0 CA--C 1.53 0.204 0 CA-C-N 118.73 1.265 . . . . 0.0 111.385 178.465 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -147.73 171.86 14.99 Favored 'General case' 0 N--CA 1.454 -0.263 0 C-N-CA 123.692 0.797 . . . . 0.0 110.486 176.715 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 54' ' ' PHE . . . . . . . . . . . . . 12.7 m-85 -139.72 143.54 37.07 Favored 'General case' 0 N--CA 1.454 -0.26 0 C-N-CA 123.702 0.801 . . . . 0.0 110.824 -179.849 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 92.3 t -135.65 136.38 50.49 Favored 'Isoleucine or valine' 0 CA--C 1.52 -0.188 0 C-N-CA 123.696 0.798 . . . . 0.0 109.296 178.709 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 56' ' ' GLN . . . . . . . . . . . . . 64.9 tp60 -115.75 134.19 55.27 Favored 'General case' 0 N--CA 1.449 -0.507 0 C-N-CA 123.167 0.587 . . . . 0.0 109.433 -177.551 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 57' ' ' TYR . . . . . . . . . . . . . 51.8 m-85 -115.81 177.3 4.72 Favored 'General case' 0 C--O 1.233 0.217 0 C-N-CA 123.181 0.592 . . . . 0.0 110.505 -179.663 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 58' ' ' VAL . . . . . . . . . . . . . 84.7 t -72.03 -30.29 36.02 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.226 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.056 178.462 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 59' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -158.21 168.71 26.3 Favored 'General case' 0 CA--C 1.53 0.192 0 CA-C-O 120.824 0.345 . . . . 0.0 111.856 177.808 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 73.3 tt0 -58.07 -30.71 66.42 Favored 'General case' 0 CA--C 1.53 0.177 0 C-N-CA 123.546 0.738 . . . . 0.0 112.536 -178.836 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 25.7 tpt180 -59.03 -39.14 81.03 Favored 'General case' 0 N--CA 1.457 -0.102 0 CA-C-N 119.228 0.922 . . . . 0.0 110.104 179.869 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 62' ' ' ASN . . . . . . . . . . . . . 18.9 m120 -72.52 -24.65 61.18 Favored 'General case' 0 N--CA 1.45 -0.469 0 C-N-CA 120.854 -0.338 . . . . 0.0 110.762 179.693 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -76.63 -36.89 57.15 Favored 'General case' 0 N--CA 1.451 -0.407 0 N-CA-C 110.308 -0.256 . . . . 0.0 110.308 178.114 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 64' ' ' ARG . . . . . . . . . . . . . 33.2 mmt180 -70.81 -24.1 62.49 Favored 'General case' 0 N--CA 1.456 -0.168 0 N-CA-C 110.316 -0.253 . . . . 0.0 110.316 178.669 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -80.43 -32.82 37.28 Favored 'General case' 0 N--CA 1.453 -0.288 0 N-CA-C 110.608 -0.145 . . . . 0.0 110.608 179.559 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -80.78 -35.0 33.72 Favored 'General case' 0 N--CA 1.45 -0.43 0 O-C-N 122.248 -0.283 . . . . 0.0 111.478 178.39 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 67' ' ' VAL . . . . . . . . . . . . . 45.9 t -64.97 -32.21 57.26 Favored 'Isoleucine or valine' 0 N--CA 1.457 -0.083 0 N-CA-C 109.851 -0.425 . . . . 0.0 109.851 174.906 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -92.73 -9.32 41.09 Favored 'General case' 0 CA--C 1.53 0.18 0 N-CA-C 112.128 0.418 . . . . 0.0 112.128 178.129 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . -103.91 -13.1 28.26 Favored Glycine 0 CA--C 1.53 1.02 0 CA-C-O 119.299 -0.723 . . . . 0.0 114.033 -177.251 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 23.6 mm-40 -134.37 -19.51 1.91 Allowed 'General case' 0 CA--C 1.528 0.124 0 CA-C-N 118.623 1.212 . . . . 0.0 112.633 -174.252 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 23.7 t0 -62.59 115.41 4.25 Favored 'General case' 0 N--CA 1.454 -0.24 0 O-C-N 121.215 -0.928 . . . . 0.0 110.119 178.683 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . 89.48 10.25 65.79 Favored Glycine 0 C--N 1.335 0.513 0 N-CA-C 111.057 -0.817 . . . . 0.0 111.057 179.99 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 73' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -77.1 169.04 19.05 Favored 'General case' 0 N--CA 1.449 -0.488 0 N-CA-C 106.397 -1.705 . . . . 0.0 106.397 171.737 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 74' ' ' MET . . . . . . . . . . . . . 33.9 ttm -114.2 122.43 46.75 Favored 'General case' 0 N--CA 1.449 -0.501 0 N-CA-C 108.936 -0.764 . . . . 0.0 108.936 -176.065 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 75' ' ' ILE . . . . . . . . . . . . . 0.2 OUTLIER -129.36 135.76 60.98 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.417 0 N-CA-C 109.232 -0.655 . . . . 0.0 109.232 179.71 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . 54.42 17.81 1.71 Allowed 'General case' 0 CA--C 1.534 0.346 0 C-N-CA 123.182 0.593 . . . . 0.0 112.179 -174.404 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 88.97 5.07 74.11 Favored Glycine 0 CA--C 1.526 0.778 0 CA-C-O 119.725 -0.486 . . . . 0.0 112.217 -179.348 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 78' ' ' GLN . . . . . . . . . . . . . 1.0 OUTLIER -124.61 131.63 53.46 Favored 'General case' 0 N--CA 1.449 -0.52 0 CA-C-N 117.728 0.764 . . . . 0.0 110.214 -179.787 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 79' ' ' VAL . . . . . . . . . . . . . 54.4 t -63.52 140.45 19.63 Favored 'Isoleucine or valine' 0 C--O 1.227 -0.101 0 C-N-CA 124.093 0.957 . . . . 0.0 110.391 -179.076 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 30.9 mt -94.17 157.77 15.91 Favored 'General case' 0 N--CA 1.457 -0.118 0 CA-C-O 120.696 0.284 . . . . 0.0 111.095 176.952 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 81' ' ' ASP . . . . . . . . . . . . . 28.5 t70 -125.19 100.17 6.42 Favored 'General case' 0 N--CA 1.453 -0.284 0 N-CA-C 107.777 -1.194 . . . . 0.0 107.777 175.681 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 82' ' ' ILE . . . . . . . . . . . . . 64.9 mt -116.08 139.81 41.0 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.337 0 C-N-CA 123.133 0.573 . . . . 0.0 110.361 -169.741 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 83' ' ' ASN . . . . . . . . . . . . . 1.9 p-10 -157.26 164.02 38.13 Favored 'General case' 0 N--CA 1.455 -0.215 0 C-N-CA 122.81 0.444 . . . . 0.0 110.594 178.787 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 84' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -58.7 134.76 57.09 Favored 'General case' 0 N--CA 1.451 -0.399 0 N-CA-C 108.618 -0.882 . . . . 0.0 108.618 176.036 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.535 0.365 0 N-CA-C 113.64 0.978 . . . . 0.0 113.64 -176.681 . . . . . . . . 0 0 . 1 . 004 nuclear build core ' A' A ' 98' ' ' LYS . . . . . . . . . . . . . 74.9 mmtt . . . . . 0 CA--C 1.528 0.114 0 CA-C-O 120.582 0.23 . . . . 0.0 111.305 . . . . . . . . . 0 0 . 1 . 004 nuclear build core ' A' A ' 99' ' ' ARG . . . . . . . . . . . . . 18.7 tpt180 -119.78 172.0 8.01 Favored 'General case' 0 N--CA 1.456 -0.149 0 C-N-CA 124.02 0.928 . . . . 0.0 109.724 -179.358 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 70.1 m -62.6 -15.75 53.08 Favored 'General case' 0 N--CA 1.455 -0.207 0 C-N-CA 123.262 0.625 . . . . 0.0 112.194 179.606 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 101' ' ' ALA . . . . . . . . . . . . . . . 51.9 18.08 0.74 Allowed 'General case' 0 CA--C 1.535 0.371 0 C-N-CA 124.029 0.932 . . . . 0.0 112.367 -176.01 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -149.35 12.1 0.81 Allowed 'General case' 0 N--CA 1.453 -0.28 0 C-N-CA 123.585 0.754 . . . . 0.0 111.174 -178.102 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 22.1 pt-20 -70.0 -5.85 29.31 Favored 'General case' 0 CA--C 1.529 0.156 0 N-CA-C 112.397 0.517 . . . . 0.0 112.397 -176.791 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 104' ' ' MET . . . . . . . . . . . . . 25.1 ptp -132.48 8.64 4.27 Favored 'General case' 0 N--CA 1.456 -0.144 0 C-N-CA 123.337 0.655 . . . . 0.0 111.836 -179.313 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 105' ' ' TYR . . . . . . . . . . . . . 17.3 m-85 -116.72 0.79 12.68 Favored 'General case' 0 CA--C 1.528 0.117 0 C-N-CA 123.284 0.633 . . . . 0.0 111.421 179.734 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 106' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.525 0.673 0 N-CA-C 111.389 -0.684 . . . . 0.0 111.389 179.224 . . . . . . . . 0 0 . 1 . 005 nuclear build core ' A' A ' 4' ' ' ASN . . . . . . . . . . . . . 3.6 p-10 . . . . . 0 CA--C 1.531 0.224 0 N-CA-C 111.513 0.19 . . . . 0.0 111.513 . . . . . . . . . 0 0 . 1 . 005 nuclear build core ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 96.5 t -99.18 136.57 29.74 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.181 0 C-N-CA 122.651 0.38 . . . . 0.0 111.18 -176.384 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 58.8 p -146.4 2.4 0.85 Allowed 'General case' 0 CA--C 1.528 0.104 0 C-N-CA 123.376 0.67 . . . . 0.0 111.477 179.625 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 7' ' ' ASN . . . . . . . . . . . . . 60.0 t-20 . . . . . 0 N--CA 1.455 -0.224 0 O-C-N 121.441 -0.787 . . . . 0.0 111.1 -176.671 . . . . . . . . 0 0 . 1 . 005 nuclear build core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 88.3 p . . . . . 0 N--CA 1.456 -0.138 0 N-CA-C 110.711 -0.107 . . . . 0.0 110.711 . . . . . . . . . 0 0 . 1 . 005 nuclear build core ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 31.2 ttp-105 -97.97 150.44 21.35 Favored 'General case' 0 N--CA 1.454 -0.236 0 C-N-CA 123.221 0.609 . . . . 0.0 109.954 175.632 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 93.8 t -126.53 129.52 71.74 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.387 0 C-N-CA 123.109 0.564 . . . . 0.0 109.733 179.192 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 20.2 t80 -89.47 133.98 34.31 Favored 'General case' 0 N--CA 1.449 -0.52 0 CA-C-N 115.301 -0.863 . . . . 0.0 109.175 175.601 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 64.8 mt -120.53 83.69 0.8 Allowed 'Isoleucine or valine' 0 CA--C 1.521 -0.158 0 N-CA-C 107.862 -1.162 . . . . 0.0 107.862 179.765 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -84.36 174.89 50.88 Favored Glycine 0 CA--C 1.526 0.728 0 N-CA-C 110.675 -0.97 . . . . 0.0 110.675 178.674 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 58.8 t30 48.46 47.26 20.35 Favored 'General case' 0 CA--C 1.531 0.22 0 C-N-CA 122.943 0.497 . . . . 0.0 110.758 -178.407 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 58.7 tp -99.28 144.55 28.27 Favored 'General case' 0 N--CA 1.455 -0.176 0 N-CA-C 109.396 -0.594 . . . . 0.0 109.396 179.535 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 64.7 t30 -69.6 -37.95 77.1 Favored 'General case' 0 CA--C 1.532 0.266 0 O-C-N 122.267 -0.27 . . . . 0.0 111.171 -177.542 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 60.0 p 53.97 -2.58 0.02 OUTLIER 'General case' 0 N--CA 1.464 0.248 0 C-N-CA 127.668 2.387 . . . . 0.0 115.49 179.129 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 85.3 mt -87.37 -20.55 26.56 Favored 'General case' 0 N--CA 1.452 -0.363 0 C-N-CA 123.235 0.614 . . . . 0.0 111.627 175.809 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 57.6 t -120.95 -26.07 2.33 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.236 0 C-N-CA 122.533 0.333 . . . . 0.0 111.635 -178.78 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 56.7 t -100.69 146.07 9.98 Favored 'Isoleucine or valine' 0 C--O 1.23 0.077 0 CA-C-N 118.065 0.393 . . . . 0.0 110.369 179.203 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 7.9 mptt -135.04 171.98 13.66 Favored 'General case' 0 CA--C 1.523 -0.07 0 C-N-CA 123.451 0.7 . . . . 0.0 110.142 -178.746 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 5.5 ptmm? -65.16 -8.18 15.87 Favored 'General case' 0 CA--C 1.53 0.197 0 C-N-CA 124.076 0.95 . . . . 0.0 111.85 178.839 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 39.3 m -97.0 -1.24 45.93 Favored 'General case' 0 CA--C 1.528 0.132 0 C-N-CA 123.252 0.621 . . . . 0.0 110.894 175.882 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 21.1 m-20 -114.26 -34.54 5.28 Favored 'General case' 0 N--CA 1.454 -0.245 0 C-N-CA 123.836 0.855 . . . . 0.0 110.271 179.587 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 72.0 t -62.48 -32.88 56.7 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.24 0 N-CA-C 109.391 -0.596 . . . . 0.0 109.391 177.942 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 23.5 pt-20 -79.11 7.78 6.89 Favored 'General case' 0 CA--C 1.529 0.171 0 N-CA-C 112.075 0.398 . . . . 0.0 112.075 178.242 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -127.3 -6.58 5.91 Favored 'General case' 0 CA--C 1.53 0.191 0 C-N-CA 123.237 0.615 . . . . 0.0 111.31 176.973 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 78.1 mt -110.85 -27.97 2.72 Favored 'Isoleucine or valine' 0 CA--C 1.528 0.13 0 C-N-CA 123.272 0.629 . . . . 0.0 110.735 178.638 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 37' ' ' PHE . . . . . . . . . . . . . 65.6 m-85 -103.13 -8.61 20.36 Favored 'General case' 0 N--CA 1.456 -0.158 0 C-N-CA 122.612 0.365 . . . . 0.0 110.779 179.932 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 64.6 p -72.9 -14.7 61.53 Favored 'General case' 0 C--O 1.232 0.134 0 C-N-CA 122.4 0.28 . . . . 0.0 111.721 -179.056 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 13.0 ptmm? -83.11 -9.82 59.01 Favored 'General case' 0 CA--C 1.528 0.106 0 C-N-CA 123.496 0.718 . . . . 0.0 112.296 179.106 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 40' ' ' TYR . . . . . . . . . . . . . 85.3 m-85 -106.79 -14.6 14.95 Favored 'General case' 0 C--O 1.23 0.075 0 C-N-CA 122.454 0.301 . . . . 0.0 111.226 177.684 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -177.72 162.2 29.84 Favored Glycine 0 CA--C 1.523 0.533 0 N-CA-C 111.712 -0.555 . . . . 0.0 111.712 175.027 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 78.8 tttt -73.64 114.14 11.55 Favored 'General case' 0 N--CA 1.452 -0.353 0 N-CA-C 108.979 -0.749 . . . . 0.0 108.979 178.075 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 43' ' ' ILE . . . . . . . . . . . . . 77.6 mt -83.43 130.54 35.62 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.23 0 N-CA-C 109.581 -0.526 . . . . 0.0 109.581 -178.418 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 33.7 m -109.61 -8.47 11.38 Favored 'Isoleucine or valine' 0 CA--C 1.526 0.054 0 C-N-CA 123.24 0.616 . . . . 0.0 110.602 179.072 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . -168.94 147.61 11.4 Favored Glycine 0 CA--C 1.524 0.632 0 N-CA-C 109.776 -1.329 . . . . 0.0 109.776 178.004 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 46' ' ' CYS . . . . . . . . . . . . . 22.1 p -151.24 153.74 35.47 Favored 'General case' 0 N--CA 1.451 -0.411 0 O-C-N 122.51 -0.406 . . . . 0.0 110.26 179.739 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 90.1 p -157.09 148.94 22.56 Favored 'General case' 0 N--CA 1.452 -0.349 0 N-CA-C 109.999 -0.371 . . . . 0.0 109.999 176.176 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 48' ' ' VAL . . . . . . . . . . . . . 86.3 t -125.35 145.48 32.64 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.238 0 N-CA-C 109.019 -0.734 . . . . 0.0 109.019 174.641 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 49' ' ' HIS . . . . . . . . . . . . . 46.9 m-70 -133.5 -163.69 1.39 Allowed 'General case' 0 N--CA 1.451 -0.386 0 N-CA-C 108.347 -0.982 . . . . 0.0 108.347 -176.225 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 96.8 mttt -90.0 115.58 27.4 Favored 'General case' 0 N--CA 1.454 -0.231 0 N-CA-C 109.709 -0.478 . . . . 0.0 109.709 177.099 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 81.31 -8.65 57.68 Favored Glycine 0 CA--C 1.529 0.941 0 CA-C-O 119.467 -0.63 . . . . 0.0 113.854 178.702 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 49.8 p90 -151.32 169.96 20.69 Favored 'General case' 0 C--N 1.339 0.137 0 CA-C-N 118.751 1.276 . . . . 0.0 111.761 178.579 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -148.94 171.64 16.0 Favored 'General case' 0 CA--C 1.533 0.292 0 C-N-CA 123.819 0.848 . . . . 0.0 109.794 176.436 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 54' ' ' PHE . . . . . . . . . . . . . 15.9 m-85 -139.94 148.25 41.7 Favored 'General case' 0 C--O 1.233 0.211 0 C-N-CA 123.428 0.691 . . . . 0.0 110.172 179.423 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 99.3 t -138.04 137.87 44.14 Favored 'Isoleucine or valine' 0 CA--C 1.519 -0.231 0 C-N-CA 123.731 0.812 . . . . 0.0 109.001 178.416 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 56' ' ' GLN . . . . . . . . . . . . . 57.1 tp60 -117.82 130.95 56.59 Favored 'General case' 0 N--CA 1.452 -0.342 0 N-CA-C 109.166 -0.679 . . . . 0.0 109.166 -177.291 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 57' ' ' TYR . . . . . . . . . . . . . 52.5 m-85 -112.08 176.25 5.1 Favored 'General case' 0 N--CA 1.453 -0.307 0 C-N-CA 122.843 0.457 . . . . 0.0 110.943 179.701 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 58' ' ' VAL . . . . . . . . . . . . . 80.3 t -71.97 -31.44 40.52 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.309 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.418 179.12 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 59' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -155.67 170.04 22.94 Favored 'General case' 0 N--CA 1.456 -0.165 0 N-CA-C 111.906 0.336 . . . . 0.0 111.906 177.619 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 60.4 tt0 -58.85 -31.61 68.67 Favored 'General case' 0 CA--C 1.531 0.225 0 C-N-CA 123.475 0.71 . . . . 0.0 112.123 -178.041 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 25.5 tpt180 -58.59 -39.73 81.2 Favored 'General case' 0 C--N 1.339 0.123 0 CA-C-N 119.013 0.824 . . . . 0.0 110.146 -179.599 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 62' ' ' ASN . . . . . . . . . . . . . 19.0 m120 -71.59 -24.68 61.95 Favored 'General case' 0 N--CA 1.449 -0.484 0 O-C-N 122.225 -0.297 . . . . 0.0 110.968 -179.542 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -77.06 -36.72 55.69 Favored 'General case' 0 N--CA 1.454 -0.247 0 O-C-N 122.387 -0.196 . . . . 0.0 110.516 177.964 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 64' ' ' ARG . . . . . . . . . . . . . 41.3 mmt180 -68.55 -25.9 65.15 Favored 'General case' 0 N--CA 1.46 0.063 0 N-CA-C 110.222 -0.288 . . . . 0.0 110.222 178.109 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -80.67 -33.6 35.4 Favored 'General case' 0 N--CA 1.454 -0.241 0 CA-C-N 117.438 0.108 . . . . 0.0 110.747 -178.854 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -80.88 -35.45 32.58 Favored 'General case' 0 N--CA 1.451 -0.387 0 O-C-N 122.088 -0.383 . . . . 0.0 111.206 178.666 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 67' ' ' VAL . . . . . . . . . . . . . 48.9 t -64.55 -33.67 64.58 Favored 'Isoleucine or valine' 0 C--N 1.338 0.089 0 N-CA-C 109.907 -0.405 . . . . 0.0 109.907 175.452 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -91.8 -9.11 44.73 Favored 'General case' 0 N--CA 1.455 -0.206 0 N-CA-C 112.082 0.401 . . . . 0.0 112.082 178.37 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . -104.61 -12.04 29.42 Favored Glycine 0 CA--C 1.53 1.015 0 CA-C-O 119.276 -0.736 . . . . 0.0 114.21 -177.475 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 27.6 mm-40 -135.16 -19.53 1.72 Allowed 'General case' 0 CA--C 1.53 0.18 0 CA-C-N 118.623 1.212 . . . . 0.0 112.516 -174.698 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 23.7 t0 -62.17 117.33 5.89 Favored 'General case' 0 C--O 1.234 0.266 0 CA-C-N 118.955 0.798 . . . . 0.0 109.954 178.932 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . 87.98 10.53 69.09 Favored Glycine 0 C--N 1.337 0.595 0 N-CA-C 111.105 -0.798 . . . . 0.0 111.105 179.888 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 73' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -76.59 169.25 18.61 Favored 'General case' 0 N--CA 1.449 -0.494 0 N-CA-C 106.226 -1.768 . . . . 0.0 106.226 171.635 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 74' ' ' MET . . . . . . . . . . . . . 33.2 ttm -114.21 122.46 46.84 Favored 'General case' 0 N--CA 1.452 -0.357 0 N-CA-C 109.248 -0.649 . . . . 0.0 109.248 -176.633 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 75' ' ' ILE . . . . . . . . . . . . . 0.3 OUTLIER -130.12 136.24 59.18 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.383 0 N-CA-C 109.501 -0.555 . . . . 0.0 109.501 179.296 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . 54.26 18.44 1.83 Allowed 'General case' 0 CA--C 1.534 0.337 0 C-N-CA 123.302 0.641 . . . . 0.0 112.056 -173.776 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 88.71 4.3 76.13 Favored Glycine 0 CA--C 1.527 0.81 0 N-CA-C 111.903 -0.479 . . . . 0.0 111.903 -179.312 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 78' ' ' GLN . . . . . . . . . . . . . 1.0 OUTLIER -124.32 131.26 53.51 Favored 'General case' 0 N--CA 1.452 -0.369 0 CA-C-N 117.993 0.896 . . . . 0.0 110.385 -179.131 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 79' ' ' VAL . . . . . . . . . . . . . 48.4 t -63.2 140.22 19.99 Favored 'Isoleucine or valine' 0 C--O 1.228 -0.064 0 C-N-CA 124.38 1.072 . . . . 0.0 110.282 -179.02 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 32.7 mt -94.58 157.46 15.97 Favored 'General case' 0 N--CA 1.455 -0.199 0 CA-C-O 120.623 0.249 . . . . 0.0 111.198 177.041 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 81' ' ' ASP . . . . . . . . . . . . . 29.9 t70 -122.52 102.04 7.84 Favored 'General case' 0 N--CA 1.456 -0.174 0 N-CA-C 107.911 -1.144 . . . . 0.0 107.911 174.11 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 82' ' ' ILE . . . . . . . . . . . . . 63.0 mt -116.63 139.56 42.91 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.235 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.113 -171.078 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 83' ' ' ASN . . . . . . . . . . . . . 1.8 p-10 -159.71 166.51 30.36 Favored 'General case' 0 N--CA 1.453 -0.277 0 C-N-CA 123.208 0.603 . . . . 0.0 110.121 -179.71 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 84' ' ' LEU . . . . . . . . . . . . . 1.6 tp -60.83 143.92 53.75 Favored 'General case' 0 N--CA 1.452 -0.341 0 N-CA-C 109.109 -0.701 . . . . 0.0 109.109 175.626 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.535 0.401 0 N-CA-C 112.886 0.698 . . . . 0.0 112.886 -178.72 . . . . . . . . 0 0 . 1 . 005 nuclear build core ' A' A ' 98' ' ' LYS . . . . . . . . . . . . . 10.6 ptpt . . . . . 0 N--CA 1.456 -0.167 0 CA-C-O 120.572 0.225 . . . . 0.0 111.45 . . . . . . . . . 0 0 . 1 . 005 nuclear build core ' A' A ' 99' ' ' ARG . . . . . 0.49 ' HE ' ' CD ' ' A' ' 103' ' ' GLU . 2.4 tpt180 -133.72 163.49 29.34 Favored 'General case' 0 N--CA 1.455 -0.183 0 C-N-CA 123.724 0.809 . . . . 0.0 109.253 -179.892 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 61.7 m -68.79 -11.58 60.53 Favored 'General case' 0 N--CA 1.455 -0.184 0 C-N-CA 122.58 0.352 . . . . 0.0 111.305 177.724 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 101' ' ' ALA . . . . . . . . . . . . . . . 50.96 14.31 0.18 Allowed 'General case' 0 CA--C 1.538 0.483 0 C-N-CA 124.455 1.102 . . . . 0.0 113.055 -175.325 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -150.02 4.12 0.54 Allowed 'General case' 0 N--CA 1.455 -0.197 0 C-N-CA 122.908 0.483 . . . . 0.0 112.128 -178.465 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 103' ' ' GLU . . . . . 0.49 ' CD ' ' HE ' ' A' ' 99' ' ' ARG . 11.2 pt-20 -76.37 -3.53 37.44 Favored 'General case' 0 CA--C 1.53 0.182 0 N-CA-C 112.315 0.487 . . . . 0.0 112.315 -176.332 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 104' ' ' MET . . . . . . . . . . . . . 72.4 mtm -105.09 8.27 34.17 Favored 'General case' 0 CA--C 1.53 0.207 0 C-N-CA 123.717 0.807 . . . . 0.0 111.271 -179.816 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 105' ' ' TYR . . . . . . . . . . . . . 51.9 m-85 -132.35 1.48 3.79 Favored 'General case' 0 N--CA 1.456 -0.13 0 C-N-CA 122.864 0.466 . . . . 0.0 111.794 -177.737 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 106' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.527 0.789 0 N-CA-C 111.389 -0.684 . . . . 0.0 111.389 178.843 . . . . . . . . 0 0 . 1 . 006 nuclear build core ' A' A ' 4' ' ' ASN . . . . . . . . . . . . . 4.0 p-10 . . . . . 0 CA--C 1.528 0.122 0 N-CA-C 111.261 0.097 . . . . 0.0 111.261 . . . . . . . . . 0 0 . 1 . 006 nuclear build core ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 64.2 t -99.04 135.35 34.47 Favored 'Isoleucine or valine' 0 C--N 1.339 0.129 0 C-N-CA 122.747 0.419 . . . . 0.0 111.331 -176.307 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 76.3 p -149.9 9.06 0.67 Allowed 'General case' 0 CA--C 1.532 0.258 0 C-N-CA 123.83 0.852 . . . . 0.0 112.152 -177.735 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 7' ' ' ASN . . . . . . . . . . . . . 41.0 p30 . . . . . 0 CA--C 1.532 0.275 0 N-CA-C 114.6 1.333 . . . . 0.0 114.6 -172.779 . . . . . . . . 0 0 . 1 . 006 nuclear build core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 88.9 p . . . . . 0 CA--C 1.531 0.237 0 N-CA-C 110.464 -0.199 . . . . 0.0 110.464 . . . . . . . . . 0 0 . 1 . 006 nuclear build core ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 29.3 ttp-105 -98.88 151.18 21.13 Favored 'General case' 0 CA--C 1.52 -0.175 0 C-N-CA 123.149 0.58 . . . . 0.0 110.132 175.897 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 83.4 t -125.05 128.08 72.78 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.37 0 C-N-CA 123.03 0.532 . . . . 0.0 109.724 178.958 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 13.4 t80 -87.66 130.53 34.76 Favored 'General case' 0 N--CA 1.451 -0.41 0 N-CA-C 108.823 -0.806 . . . . 0.0 108.823 174.591 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 62.4 mt -118.37 84.72 0.83 Allowed 'Isoleucine or valine' 0 CA--C 1.52 -0.21 0 N-CA-C 107.737 -1.208 . . . . 0.0 107.737 179.238 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -85.67 175.05 48.77 Favored Glycine 0 CA--C 1.523 0.539 0 N-CA-C 110.827 -0.909 . . . . 0.0 110.827 178.723 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 54.8 t30 48.98 47.48 21.7 Favored 'General case' 0 N--CA 1.453 -0.301 0 C-N-CA 122.984 0.514 . . . . 0.0 110.359 -178.262 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 56.7 tp -100.28 145.65 27.86 Favored 'General case' 0 N--CA 1.454 -0.253 0 C-N-CA 123.14 0.576 . . . . 0.0 109.777 179.773 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 64.3 t30 -70.59 -36.98 73.84 Favored 'General case' 0 C--N 1.338 0.105 0 CA-C-N 117.886 0.312 . . . . 0.0 111.518 -177.57 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 48.7 p 50.72 9.45 0.05 OUTLIER 'General case' 0 N--CA 1.467 0.417 0 C-N-CA 126.406 1.882 . . . . 0.0 114.858 178.877 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 3.3 mm? -102.83 -14.4 16.6 Favored 'General case' 0 CA--C 1.531 0.23 0 C-N-CA 123.84 0.856 . . . . 0.0 111.161 176.469 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 63.5 t -126.3 -24.81 1.63 Allowed 'Isoleucine or valine' 0 C--N 1.34 0.16 0 C-N-CA 122.679 0.392 . . . . 0.0 110.608 178.75 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 47.4 t -102.33 146.59 10.15 Favored 'Isoleucine or valine' 0 C--O 1.232 0.159 0 N-CA-C 110.194 -0.299 . . . . 0.0 110.194 178.896 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 8.1 mptt -135.89 172.58 12.8 Favored 'General case' 0 C--N 1.34 0.157 0 C-N-CA 123.343 0.657 . . . . 0.0 110.207 -178.819 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 10.3 ptmt -68.09 -4.45 13.62 Favored 'General case' 0 CA--C 1.53 0.206 0 C-N-CA 123.574 0.75 . . . . 0.0 112.039 179.419 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 37.6 m -99.86 0.03 40.61 Favored 'General case' 0 CA--C 1.529 0.144 0 C-N-CA 123.385 0.674 . . . . 0.0 110.539 174.365 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 21.2 m-20 -116.05 -33.4 5.07 Favored 'General case' 0 N--CA 1.452 -0.33 0 C-N-CA 123.729 0.812 . . . . 0.0 110.819 179.8 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 72.9 t -65.49 -30.82 51.34 Favored 'Isoleucine or valine' 0 N--CA 1.457 -0.114 0 N-CA-C 108.981 -0.748 . . . . 0.0 108.981 178.809 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 24.9 pt-20 -79.34 8.78 5.53 Favored 'General case' 0 CA--C 1.53 0.206 0 N-CA-C 111.765 0.283 . . . . 0.0 111.765 178.089 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -127.03 -8.51 5.98 Favored 'General case' 0 N--CA 1.454 -0.269 0 C-N-CA 123.306 0.642 . . . . 0.0 111.017 176.183 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 77.6 mt -107.76 -26.34 3.32 Favored 'Isoleucine or valine' 0 C--N 1.339 0.138 0 C-N-CA 123.41 0.684 . . . . 0.0 110.676 178.398 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 37' ' ' PHE . . . . . . . . . . . . . 63.2 m-85 -105.81 -5.57 19.7 Favored 'General case' 0 N--CA 1.456 -0.15 0 C-N-CA 122.819 0.448 . . . . 0.0 110.94 -179.78 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 77.6 p -76.02 -14.38 60.22 Favored 'General case' 0 N--CA 1.456 -0.144 0 O-C-N 122.229 -0.294 . . . . 0.0 111.271 -179.88 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 13.5 ptmm? -80.43 -11.68 59.66 Favored 'General case' 0 N--CA 1.456 -0.149 0 C-N-CA 123.129 0.571 . . . . 0.0 112.265 179.304 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 40' ' ' TYR . . . . . . . . . . . . . 64.5 m-85 -106.23 -15.74 14.77 Favored 'General case' 0 C--O 1.232 0.136 0 C-N-CA 122.579 0.352 . . . . 0.0 111.594 178.52 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -176.24 162.24 30.97 Favored Glycine 0 C--N 1.335 0.512 0 N-CA-C 111.883 -0.487 . . . . 0.0 111.883 174.981 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 54.7 tttp -72.65 115.44 11.93 Favored 'General case' 0 N--CA 1.452 -0.342 0 N-CA-C 108.89 -0.781 . . . . 0.0 108.89 177.815 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 43' ' ' ILE . . . . . . . . . . . . . 77.1 mt -83.21 129.66 37.08 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.323 0 N-CA-C 109.681 -0.488 . . . . 0.0 109.681 -178.841 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 33.8 m -107.27 -8.38 10.7 Favored 'Isoleucine or valine' 0 C--O 1.227 -0.116 0 C-N-CA 123.178 0.591 . . . . 0.0 110.633 178.759 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . -168.94 146.33 10.2 Favored Glycine 0 CA--C 1.525 0.688 0 N-CA-C 109.965 -1.254 . . . . 0.0 109.965 177.79 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 46' ' ' CYS . . . . . . . . . . . . . 45.4 t -150.65 144.54 25.28 Favored 'General case' 0 N--CA 1.451 -0.378 0 N-CA-C 109.747 -0.464 . . . . 0.0 109.747 -179.228 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 23.1 t -153.26 148.26 26.63 Favored 'General case' 0 N--CA 1.449 -0.507 0 CA-C-O 120.875 0.369 . . . . 0.0 110.13 177.032 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 48' ' ' VAL . . . . . . . . . . . . . 92.3 t -125.74 146.68 31.08 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.222 0 N-CA-C 109.267 -0.642 . . . . 0.0 109.267 177.572 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 49' ' ' HIS . . . . . . . . . . . . . 56.6 m80 -131.79 -164.2 1.42 Allowed 'General case' 0 N--CA 1.449 -0.489 0 C-N-CA 124.174 0.99 . . . . 0.0 108.348 -176.666 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 98.3 mttt -90.75 116.91 28.96 Favored 'General case' 0 N--CA 1.452 -0.336 0 N-CA-C 109.374 -0.602 . . . . 0.0 109.374 175.647 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 83.08 -9.79 59.7 Favored Glycine 0 CA--C 1.533 1.171 0 CA-C-O 118.903 -0.943 . . . . 0.0 113.51 178.214 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 50.4 p90 -152.62 170.23 20.74 Favored 'General case' 0 N--CA 1.461 0.082 0 CA-C-N 119.037 1.419 . . . . 0.0 111.601 179.078 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -148.96 172.23 15.05 Favored 'General case' 0 CA--C 1.53 0.202 0 C-N-CA 123.784 0.834 . . . . 0.0 110.542 176.509 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 54' ' ' PHE . . . . . . . . . . . . . 11.9 m-85 -140.41 143.97 35.93 Favored 'General case' 0 N--CA 1.454 -0.263 0 C-N-CA 123.726 0.81 . . . . 0.0 110.606 -179.947 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 93.0 t -134.58 137.83 50.6 Favored 'Isoleucine or valine' 0 CA--C 1.518 -0.274 0 C-N-CA 123.657 0.783 . . . . 0.0 109.25 178.972 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 56' ' ' GLN . . . . . . . . . . . . . 59.2 tp60 -116.92 130.86 56.98 Favored 'General case' 0 N--CA 1.451 -0.397 0 N-CA-C 109.401 -0.592 . . . . 0.0 109.401 -176.966 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 57' ' ' TYR . . . . . . . . . . . . . 38.9 m-85 -113.14 176.17 5.13 Favored 'General case' 0 N--CA 1.455 -0.219 0 C-N-CA 123.342 0.657 . . . . 0.0 110.845 179.703 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 58' ' ' VAL . . . . . . . . . . . . . 69.1 t -72.3 -30.73 36.33 Favored 'Isoleucine or valine' 0 N--CA 1.456 -0.169 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.367 178.964 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 59' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -156.83 170.19 23.04 Favored 'General case' 0 CA--C 1.53 0.179 0 CA-C-N 118.082 0.401 . . . . 0.0 112.047 178.068 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 74.2 tt0 -59.69 -30.8 69.04 Favored 'General case' 0 N--CA 1.454 -0.249 0 C-N-CA 123.332 0.653 . . . . 0.0 112.212 -177.982 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 19.4 tpp180 -59.94 -39.03 84.14 Favored 'General case' 0 CA--C 1.527 0.086 0 CA-C-N 118.978 0.808 . . . . 0.0 110.298 -179.698 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 62' ' ' ASN . . . . . . . . . . . . . 17.4 m120 -71.07 -25.53 62.66 Favored 'General case' 0 N--CA 1.451 -0.425 0 C-N-CA 120.809 -0.356 . . . . 0.0 110.814 -179.864 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -76.43 -35.52 58.48 Favored 'General case' 0 N--CA 1.452 -0.334 0 N-CA-C 110.343 -0.243 . . . . 0.0 110.343 178.532 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 64' ' ' ARG . . . . . . . . . . . . . 39.8 mmt180 -69.01 -26.73 65.15 Favored 'General case' 0 CA--C 1.526 0.047 0 N-CA-C 110.12 -0.326 . . . . 0.0 110.12 178.411 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -80.09 -33.45 38.79 Favored 'General case' 0 N--CA 1.452 -0.332 0 CA-C-N 117.54 0.154 . . . . 0.0 110.879 -179.484 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -81.31 -33.74 32.36 Favored 'General case' 0 N--CA 1.452 -0.332 0 O-C-N 122.048 -0.408 . . . . 0.0 111.121 179.87 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 67' ' ' VAL . . . . . . . . . . . . . 46.7 t -67.28 -33.42 62.69 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.238 0 N-CA-C 109.926 -0.398 . . . . 0.0 109.926 176.131 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -90.05 -10.37 45.05 Favored 'General case' 0 CA--C 1.531 0.222 0 N-CA-C 112.007 0.373 . . . . 0.0 112.007 177.773 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . -102.6 -13.51 29.97 Favored Glycine 0 CA--C 1.532 1.136 0 CA-C-O 119.191 -0.783 . . . . 0.0 113.752 -177.052 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 45.8 mm-40 -133.95 -20.03 1.98 Allowed 'General case' 0 N--CA 1.465 0.302 0 CA-C-N 118.646 1.223 . . . . 0.0 112.311 -173.73 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 21.8 t70 -61.59 118.22 6.78 Favored 'General case' 0 N--CA 1.456 -0.13 0 CA-C-N 119.131 0.878 . . . . 0.0 109.93 178.701 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . 87.28 10.65 70.75 Favored Glycine 0 CA--C 1.524 0.643 0 N-CA-C 111.205 -0.758 . . . . 0.0 111.205 179.433 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 73' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -76.48 169.72 17.72 Favored 'General case' 0 N--CA 1.449 -0.509 0 N-CA-C 106.383 -1.71 . . . . 0.0 106.383 171.475 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 74' ' ' MET . . . . . . . . . . . . . 33.7 ttm -115.29 121.74 43.8 Favored 'General case' 0 N--CA 1.448 -0.552 0 N-CA-C 109.078 -0.712 . . . . 0.0 109.078 -177.095 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 75' ' ' ILE . . . . . . . . . . . . . 0.2 OUTLIER -129.01 135.7 61.47 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.318 0 N-CA-C 109.562 -0.532 . . . . 0.0 109.562 179.286 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . 54.46 18.19 1.86 Allowed 'General case' 0 CA--C 1.533 0.316 0 C-N-CA 123.245 0.618 . . . . 0.0 112.298 -174.01 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 89.3 3.56 75.33 Favored Glycine 0 CA--C 1.527 0.82 0 N-CA-C 112.099 -0.4 . . . . 0.0 112.099 -179.256 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 78' ' ' GLN . . . . . . . . . . . . . 1.0 OUTLIER -123.73 132.22 53.77 Favored 'General case' 0 N--CA 1.45 -0.442 0 CA-C-N 117.687 0.744 . . . . 0.0 110.307 -179.105 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 79' ' ' VAL . . . . . . . . . . . . . 50.1 t -64.36 140.93 18.89 Favored 'Isoleucine or valine' 0 CA--C 1.522 -0.127 0 C-N-CA 124.4 1.08 . . . . 0.0 110.507 -178.87 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 29.3 mt -96.12 155.98 16.53 Favored 'General case' 0 N--CA 1.456 -0.153 0 CA-C-O 120.864 0.364 . . . . 0.0 111.4 177.224 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 81' ' ' ASP . . . . . . . . . . . . . 7.3 m-20 -123.07 103.14 8.39 Favored 'General case' 0 N--CA 1.453 -0.293 0 N-CA-C 107.727 -1.212 . . . . 0.0 107.727 174.684 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 82' ' ' ILE . . . . . . . . . . . . . 65.5 mt -118.59 139.13 46.98 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.355 0 C-N-CA 123.143 0.577 . . . . 0.0 110.433 -169.847 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 83' ' ' ASN . . . . . . . . . . . . . 1.1 p-10 -161.04 172.0 17.62 Favored 'General case' 0 CA--C 1.529 0.163 0 C-N-CA 123.373 0.669 . . . . 0.0 110.174 -178.564 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 84' ' ' LEU . . . . . . . . . . . . . 3.2 mm? -64.54 150.32 47.0 Favored 'General case' 0 N--CA 1.455 -0.176 0 N-CA-C 109.271 -0.64 . . . . 0.0 109.271 176.37 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.534 0.342 0 N-CA-C 112.002 0.371 . . . . 0.0 112.002 177.33 . . . . . . . . 0 0 . 1 . 006 nuclear build core ' A' A ' 98' ' ' LYS . . . . . . . . . . . . . 35.3 mmtp . . . . . 0 C--O 1.232 0.162 0 CA-C-O 120.359 0.123 . . . . 0.0 111.172 . . . . . . . . . 0 0 . 1 . 006 nuclear build core ' A' A ' 99' ' ' ARG . . . . . 0.415 ' HG3' ' H ' ' A' ' 100' ' ' SER . 14.9 tpt180 -136.42 174.13 10.96 Favored 'General case' 0 CA--C 1.529 0.141 0 C-N-CA 123.875 0.87 . . . . 0.0 109.873 -177.374 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 100' ' ' SER . . . . . 0.415 ' H ' ' HG3' ' A' ' 99' ' ' ARG . 75.0 m -60.4 -18.14 48.66 Favored 'General case' 0 N--CA 1.457 -0.124 0 C-N-CA 123.478 0.711 . . . . 0.0 112.172 179.146 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 101' ' ' ALA . . . . . . . . . . . . . . . 52.63 16.51 0.66 Allowed 'General case' 0 CA--C 1.533 0.301 0 C-N-CA 123.94 0.896 . . . . 0.0 112.728 -177.069 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -148.01 5.85 0.77 Allowed 'General case' 0 N--CA 1.454 -0.261 0 C-N-CA 123.03 0.532 . . . . 0.0 111.496 -178.162 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 16.9 pt-20 -73.11 -7.67 52.35 Favored 'General case' 0 CA--C 1.533 0.306 0 O-C-N 122.034 -0.417 . . . . 0.0 111.917 -177.833 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 104' ' ' MET . . . . . . . . . . . . . 71.3 mtm -99.29 5.39 46.57 Favored 'General case' 0 N--CA 1.456 -0.157 0 C-N-CA 123.629 0.771 . . . . 0.0 111.487 -179.874 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 105' ' ' TYR . . . . . . . . . . . . . 49.3 m-85 -132.33 5.43 4.09 Favored 'General case' 0 CA--C 1.531 0.232 0 C-N-CA 122.936 0.494 . . . . 0.0 111.489 -177.748 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 106' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--N 1.337 0.628 0 N-CA-C 110.734 -0.946 . . . . 0.0 110.734 -179.83 . . . . . . . . 0 0 . 1 . 007 nuclear build core ' A' A ' 4' ' ' ASN . . . . . . . . . . . . . 95.3 m-20 . . . . . 0 N--CA 1.457 -0.104 0 CA-C-O 119.868 -0.111 . . . . 0.0 111.116 . . . . . . . . . 0 0 . 1 . 007 nuclear build core ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 94.3 t -91.97 133.76 32.39 Favored 'Isoleucine or valine' 0 N--CA 1.456 -0.161 0 CA-C-O 120.787 0.327 . . . . 0.0 111.649 -175.143 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 72.9 p -149.72 5.55 0.6 Allowed 'General case' 0 C--O 1.225 -0.226 0 C-N-CA 124.124 0.969 . . . . 0.0 111.94 -178.355 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 7' ' ' ASN . . . . . . . . . . . . . 40.3 p30 . . . . . 0 C--N 1.341 0.198 0 N-CA-C 114.333 1.234 . . . . 0.0 114.333 -172.79 . . . . . . . . 0 0 . 1 . 007 nuclear build core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 81.5 p . . . . . 0 CA--C 1.531 0.245 0 CA-C-O 120.174 0.035 . . . . 0.0 110.974 . . . . . . . . . 0 0 . 1 . 007 nuclear build core ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 28.9 ttp-105 -101.34 154.01 19.16 Favored 'General case' 0 N--CA 1.455 -0.215 0 C-N-CA 123.691 0.796 . . . . 0.0 109.965 177.604 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 97.5 t -128.93 131.88 67.87 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.273 0 C-N-CA 123.128 0.571 . . . . 0.0 110.081 177.323 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 23.1 t80 -89.62 135.21 33.74 Favored 'General case' 0 N--CA 1.45 -0.429 0 C-N-CA 123.668 0.787 . . . . 0.0 109.433 175.183 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 64.0 mt -122.55 85.5 0.95 Allowed 'Isoleucine or valine' 0 N--CA 1.456 -0.172 0 N-CA-C 108.101 -1.074 . . . . 0.0 108.101 179.559 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -85.18 174.14 48.96 Favored Glycine 0 CA--C 1.522 0.523 0 N-CA-C 110.821 -0.911 . . . . 0.0 110.821 178.656 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 56.0 t30 48.92 48.09 20.89 Favored 'General case' 0 CA--C 1.532 0.251 0 C-N-CA 123.114 0.566 . . . . 0.0 110.969 -178.835 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 51.6 tp -97.38 143.61 27.95 Favored 'General case' 0 N--CA 1.454 -0.237 0 C-N-CA 123.016 0.527 . . . . 0.0 109.89 179.594 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 64.2 t30 -69.85 -38.81 76.58 Favored 'General case' 0 CA--C 1.529 0.172 0 C-N-CA 121.079 -0.249 . . . . 0.0 111.454 -178.179 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 30.1 p 56.7 -4.93 0.03 OUTLIER 'General case' 0 N--CA 1.468 0.465 0 C-N-CA 126.978 2.111 . . . . 0.0 115.234 179.441 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 3.8 mm? -88.92 -16.22 32.41 Favored 'General case' 0 CA--C 1.528 0.128 0 CA-C-N 118.395 0.543 . . . . 0.0 111.37 177.979 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 48.4 t -127.17 -18.32 2.57 Favored 'Isoleucine or valine' 0 CA--C 1.528 0.099 0 C-N-CA 122.917 0.487 . . . . 0.0 110.875 179.763 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 58.2 t -110.21 139.78 32.12 Favored 'Isoleucine or valine' 0 C--N 1.339 0.119 0 O-C-N 122.182 -0.324 . . . . 0.0 110.335 178.059 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 2.9 mptp? -133.34 171.87 13.47 Favored 'General case' 0 CA--C 1.521 -0.159 0 C-N-CA 124.589 1.156 . . . . 0.0 109.688 -179.541 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 7.3 ptmm? -62.72 -10.12 11.59 Favored 'General case' 0 CA--C 1.53 0.206 0 C-N-CA 124.17 0.988 . . . . 0.0 112.517 -179.0 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 53.5 p -93.07 -15.11 26.48 Favored 'General case' 0 N--CA 1.457 -0.104 0 C-N-CA 123.431 0.692 . . . . 0.0 110.705 177.175 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 44.0 m-20 -98.12 -36.0 10.22 Favored 'General case' 0 N--CA 1.451 -0.401 0 C-N-CA 124.355 1.062 . . . . 0.0 110.316 178.079 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 71.2 t -62.39 -33.15 57.69 Favored 'Isoleucine or valine' 0 N--CA 1.456 -0.145 0 N-CA-C 109.609 -0.515 . . . . 0.0 109.609 179.05 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 24.6 pt-20 -80.45 8.31 7.95 Favored 'General case' 0 C--O 1.232 0.182 0 N-CA-C 111.916 0.339 . . . . 0.0 111.916 179.26 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -126.63 -7.67 6.24 Favored 'General case' 0 CA--C 1.53 0.206 0 C-N-CA 123.145 0.578 . . . . 0.0 111.053 176.613 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 76.3 mt -109.43 -27.36 2.93 Favored 'Isoleucine or valine' 0 C--N 1.339 0.109 0 C-N-CA 123.125 0.57 . . . . 0.0 110.287 179.174 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 37' ' ' PHE . . . . . . . . . . . . . 69.0 m-85 -103.65 -8.0 20.28 Favored 'General case' 0 N--CA 1.454 -0.26 0 C-N-CA 122.625 0.37 . . . . 0.0 110.869 179.881 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 25.2 t -74.34 -13.17 60.71 Favored 'General case' 0 CA--C 1.53 0.186 0 CA-C-O 120.701 0.286 . . . . 0.0 111.125 -178.901 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 13.3 ptmm? -81.52 -11.13 59.29 Favored 'General case' 0 C--N 1.339 0.111 0 C-N-CA 122.916 0.486 . . . . 0.0 112.013 179.345 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 40' ' ' TYR . . . . . . . . . . . . . 68.5 m-85 -107.13 -15.33 14.7 Favored 'General case' 0 C--N 1.339 0.142 0 CA-C-N 117.861 0.3 . . . . 0.0 111.421 178.804 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -176.82 160.91 28.47 Favored Glycine 0 C--N 1.333 0.384 0 N-CA-C 112.033 -0.427 . . . . 0.0 112.033 174.865 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 77.3 tttt -71.57 115.76 11.13 Favored 'General case' 0 N--CA 1.453 -0.309 0 N-CA-C 108.977 -0.749 . . . . 0.0 108.977 177.977 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 43' ' ' ILE . . . . . . . . . . . . . 77.6 mt -83.58 129.32 37.72 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.201 0 N-CA-C 109.756 -0.461 . . . . 0.0 109.756 -178.954 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 34.1 m -109.6 -8.11 11.35 Favored 'Isoleucine or valine' 0 C--O 1.231 0.114 0 C-N-CA 123.051 0.541 . . . . 0.0 110.757 178.865 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . -167.21 147.93 12.48 Favored Glycine 0 CA--C 1.522 0.501 0 N-CA-C 109.878 -1.289 . . . . 0.0 109.878 177.895 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 46' ' ' CYS . . . . . . . . . . . . . 21.6 p -150.53 150.92 31.88 Favored 'General case' 0 N--CA 1.452 -0.349 0 O-C-N 122.332 -0.51 . . . . 0.0 110.056 179.876 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 91.7 p -156.47 143.65 18.95 Favored 'General case' 0 N--CA 1.451 -0.393 0 N-CA-C 109.942 -0.392 . . . . 0.0 109.942 175.929 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 48' ' ' VAL . . . . . . . . . . . . . 87.3 t -120.61 146.1 26.01 Favored 'Isoleucine or valine' 0 C--O 1.232 0.14 0 N-CA-C 109.104 -0.702 . . . . 0.0 109.104 174.144 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 49' ' ' HIS . . . . . . . . . . . . . 43.5 m-70 -135.17 -168.98 2.28 Favored 'General case' 0 N--CA 1.451 -0.425 0 C-N-CA 124.417 1.087 . . . . 0.0 108.236 -176.093 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 38.5 mtmm -84.72 117.05 23.57 Favored 'General case' 0 N--CA 1.452 -0.374 0 O-C-N 121.787 -0.571 . . . . 0.0 109.966 177.605 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 79.82 -8.84 47.85 Favored Glycine 0 CA--C 1.531 1.093 0 CA-C-O 119.186 -0.786 . . . . 0.0 113.848 177.849 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 53.6 p90 -150.38 168.56 23.76 Favored 'General case' 0 CA--C 1.529 0.143 0 CA-C-N 118.86 1.33 . . . . 0.0 111.442 178.664 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -147.63 171.77 15.09 Favored 'General case' 0 N--CA 1.456 -0.172 0 C-N-CA 124.311 1.044 . . . . 0.0 110.312 176.123 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 54' ' ' PHE . . . . . . . . . . . . . 15.3 m-85 -140.14 146.62 39.04 Favored 'General case' 0 N--CA 1.454 -0.24 0 C-N-CA 123.585 0.754 . . . . 0.0 110.53 179.268 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 99.0 t -135.19 137.88 49.57 Favored 'Isoleucine or valine' 0 CA--C 1.517 -0.29 0 C-N-CA 123.63 0.772 . . . . 0.0 109.164 178.301 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 56' ' ' GLN . . . . . . . . . . . . . 60.4 tp60 -118.04 129.8 55.78 Favored 'General case' 0 N--CA 1.445 -0.678 0 N-CA-C 109.315 -0.624 . . . . 0.0 109.315 -176.31 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 57' ' ' TYR . . . . . . . . . . . . . 44.3 m-85 -112.33 176.83 4.85 Favored 'General case' 0 N--CA 1.455 -0.214 0 C-N-CA 123.516 0.726 . . . . 0.0 110.971 -179.281 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 58' ' ' VAL . . . . . . . . . . . . . 73.6 t -72.67 -30.71 34.46 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.193 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.329 178.787 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 59' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -156.35 170.7 21.68 Favored 'General case' 0 CA--C 1.529 0.169 0 N-CA-C 112.23 0.456 . . . . 0.0 112.23 178.178 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 78.1 tt0 -60.72 -30.63 70.09 Favored 'General case' 0 N--CA 1.457 -0.092 0 C-N-CA 123.588 0.755 . . . . 0.0 112.181 -177.719 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 24.8 tpt180 -58.33 -39.54 79.71 Favored 'General case' 0 C--N 1.339 0.115 0 CA-C-N 119.039 0.836 . . . . 0.0 109.862 179.401 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 62' ' ' ASN . . . . . . . . . . . . . 20.2 m120 -71.27 -25.06 62.3 Favored 'General case' 0 N--CA 1.45 -0.432 0 C-N-CA 120.711 -0.396 . . . . 0.0 111.122 -179.598 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -74.88 -38.37 61.93 Favored 'General case' 0 N--CA 1.453 -0.277 0 N-CA-C 110.473 -0.195 . . . . 0.0 110.473 177.923 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 64' ' ' ARG . . . . . . . . . . . . . 37.7 mmt180 -68.78 -26.57 65.28 Favored 'General case' 0 N--CA 1.457 -0.084 0 O-C-N 122.381 -0.199 . . . . 0.0 110.538 179.342 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -79.32 -32.79 43.51 Favored 'General case' 0 N--CA 1.452 -0.362 0 C-N-CA 122.005 0.122 . . . . 0.0 110.913 -178.943 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -83.53 -34.06 25.34 Favored 'General case' 0 N--CA 1.453 -0.277 0 O-C-N 122.267 -0.271 . . . . 0.0 111.437 179.231 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 67' ' ' VAL . . . . . . . . . . . . . 49.7 t -65.71 -32.48 58.38 Favored 'Isoleucine or valine' 0 N--CA 1.456 -0.129 0 N-CA-C 109.962 -0.385 . . . . 0.0 109.962 175.302 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -93.49 -10.27 35.52 Favored 'General case' 0 CA--C 1.529 0.166 0 N-CA-C 112.049 0.389 . . . . 0.0 112.049 178.282 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . -101.78 -14.22 30.01 Favored Glycine 0 CA--C 1.528 0.898 0 CA-C-O 119.396 -0.669 . . . . 0.0 113.894 -177.687 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 42.2 mm-40 -132.58 -19.3 2.4 Favored 'General case' 0 N--CA 1.465 0.3 0 CA-C-N 118.548 1.174 . . . . 0.0 112.375 -174.093 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 20.9 t70 -61.59 118.3 6.88 Favored 'General case' 0 N--CA 1.454 -0.236 0 O-C-N 121.288 -0.883 . . . . 0.0 109.986 178.243 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . 87.28 10.35 71.31 Favored Glycine 0 C--N 1.336 0.567 0 N-CA-C 111.017 -0.833 . . . . 0.0 111.017 179.132 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 73' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -75.6 169.69 17.61 Favored 'General case' 0 N--CA 1.451 -0.411 0 N-CA-C 106.419 -1.697 . . . . 0.0 106.419 171.563 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 74' ' ' MET . . . . . . . . . . . . . 33.4 ttm -115.63 121.32 42.22 Favored 'General case' 0 N--CA 1.449 -0.511 0 N-CA-C 109.23 -0.656 . . . . 0.0 109.23 -177.197 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 75' ' ' ILE . . . . . . . . . . . . . 0.2 OUTLIER -128.39 135.65 62.04 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.352 0 CA-C-N 115.976 -0.556 . . . . 0.0 109.542 179.664 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . 54.81 17.9 1.95 Allowed 'General case' 0 CA--C 1.535 0.366 0 C-N-CA 123.198 0.599 . . . . 0.0 112.22 -174.413 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 89.08 5.02 73.87 Favored Glycine 0 CA--C 1.528 0.879 0 CA-C-O 119.623 -0.543 . . . . 0.0 111.998 -179.186 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 78' ' ' GLN . . . . . . . . . . . . . 1.0 OUTLIER -125.16 131.67 53.19 Favored 'General case' 0 N--CA 1.453 -0.312 0 CA-C-N 117.8 0.8 . . . . 0.0 110.251 -179.425 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 79' ' ' VAL . . . . . . . . . . . . . 50.1 t -62.94 141.74 17.68 Favored 'Isoleucine or valine' 0 N--CA 1.462 0.145 0 C-N-CA 124.402 1.081 . . . . 0.0 110.24 -178.865 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 32.3 mt -96.85 155.63 16.69 Favored 'General case' 0 C--O 1.231 0.113 0 CA-C-O 120.886 0.374 . . . . 0.0 111.059 176.612 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 81' ' ' ASP . . . . . . . . . . . . . 4.2 m-20 -123.3 99.27 6.25 Favored 'General case' 0 N--CA 1.452 -0.355 0 N-CA-C 107.741 -1.207 . . . . 0.0 107.741 176.561 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 82' ' ' ILE . . . . . . . . . . . . . 63.9 mt -113.39 141.66 28.47 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.272 0 C-N-CA 123.348 0.659 . . . . 0.0 109.967 -170.247 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 83' ' ' ASN . . . . . . . . . . . . . 52.7 t30 -154.58 157.28 38.01 Favored 'General case' 0 N--CA 1.456 -0.153 0 C-N-CA 122.664 0.386 . . . . 0.0 111.235 -175.237 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 84' ' ' LEU . . . . . . . . . . . . . 1.2 tm? -60.78 127.77 33.28 Favored 'General case' 0 N--CA 1.452 -0.34 0 N-CA-C 108.316 -0.994 . . . . 0.0 108.316 172.516 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.531 0.234 0 N-CA-C 114.76 1.393 . . . . 0.0 114.76 -172.823 . . . . . . . . 0 0 . 1 . 007 nuclear build core ' A' A ' 98' ' ' LYS . . . . . . . . . . . . . 34.9 mmtp . . . . . 0 CA--C 1.529 0.153 0 N-CA-C 111.553 0.205 . . . . 0.0 111.553 . . . . . . . . . 0 0 . 1 . 007 nuclear build core ' A' A ' 99' ' ' ARG . . . . . 0.405 ' HE ' ' CD ' ' A' ' 103' ' ' GLU . 53.0 ttt180 -103.97 171.78 7.16 Favored 'General case' 0 N--CA 1.456 -0.172 0 C-N-CA 124.235 1.014 . . . . 0.0 109.593 -179.273 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 58.2 m -63.53 -15.9 59.25 Favored 'General case' 0 CA--C 1.528 0.121 0 C-N-CA 122.446 0.298 . . . . 0.0 111.606 176.858 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 101' ' ' ALA . . . . . . . . . . . . . . . 52.41 14.1 0.35 Allowed 'General case' 0 CA--C 1.532 0.287 0 C-N-CA 124.215 1.006 . . . . 0.0 112.909 -176.968 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -149.45 2.18 0.54 Allowed 'General case' 0 CA--C 1.532 0.287 0 C-N-CA 123.208 0.603 . . . . 0.0 112.207 -178.128 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 103' ' ' GLU . . . . . 0.405 ' CD ' ' HE ' ' A' ' 99' ' ' ARG . 11.7 pt-20 -80.12 -4.01 51.16 Favored 'General case' 0 CA--C 1.529 0.157 0 O-C-N 121.986 -0.446 . . . . 0.0 112.09 -178.066 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 104' ' ' MET . . . . . . . . . . . . . 73.4 mtm -105.98 10.01 32.42 Favored 'General case' 0 CA--C 1.532 0.251 0 C-N-CA 123.776 0.831 . . . . 0.0 111.351 -179.634 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 105' ' ' TYR . . . . . . . . . . . . . 61.8 m-85 -130.77 2.82 4.46 Favored 'General case' 0 CA--C 1.529 0.146 0 C-N-CA 122.943 0.497 . . . . 0.0 111.617 -178.639 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 106' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--N 1.337 0.635 0 N-CA-C 110.516 -1.033 . . . . 0.0 110.516 179.979 . . . . . . . . 0 0 . 1 . 008 nuclear build core ' A' A ' 4' ' ' ASN . . . . . . . . . . . . . 3.4 p-10 . . . . . 0 N--CA 1.454 -0.238 0 N-CA-C 111.225 0.083 . . . . 0.0 111.225 . . . . . . . . . 0 0 . 1 . 008 nuclear build core ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 91.8 t -94.26 133.2 36.06 Favored 'Isoleucine or valine' 0 N--CA 1.456 -0.151 0 C-N-CA 122.691 0.397 . . . . 0.0 110.921 -177.005 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 65.7 p -146.98 9.78 1.0 Allowed 'General case' 0 CA--C 1.529 0.154 0 C-N-CA 123.485 0.714 . . . . 0.0 111.701 -179.85 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 7' ' ' ASN . . . . . . . . . . . . . 62.8 t-20 . . . . . 0 C--O 1.231 0.128 0 CA-C-N 118.931 0.787 . . . . 0.0 111.484 -177.727 . . . . . . . . 0 0 . 1 . 008 nuclear build core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 77.8 p . . . . . 0 N--CA 1.454 -0.236 0 CA-C-O 120.389 0.138 . . . . 0.0 110.948 . . . . . . . . . 0 0 . 1 . 008 nuclear build core ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 36.6 ttm180 -106.04 154.19 20.97 Favored 'General case' 0 C--O 1.232 0.169 0 C-N-CA 124.459 1.104 . . . . 0.0 110.271 -179.108 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 87.5 t -130.06 132.43 65.4 Favored 'Isoleucine or valine' 0 N--CA 1.456 -0.155 0 CA-C-O 120.752 0.31 . . . . 0.0 110.295 177.42 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 25.6 t80 -93.16 132.53 37.22 Favored 'General case' 0 N--CA 1.452 -0.372 0 C-N-CA 123.97 0.908 . . . . 0.0 109.011 175.622 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 63.1 mt -120.69 85.59 0.93 Allowed 'Isoleucine or valine' 0 N--CA 1.454 -0.229 0 N-CA-C 108.039 -1.097 . . . . 0.0 108.039 -179.374 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -84.34 174.53 50.66 Favored Glycine 0 CA--C 1.523 0.59 0 N-CA-C 110.75 -0.94 . . . . 0.0 110.75 178.423 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 62.3 t30 48.62 47.79 20.34 Favored 'General case' 0 CA--C 1.53 0.187 0 C-N-CA 123.143 0.577 . . . . 0.0 111.207 -179.002 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 52.7 tp -99.72 145.05 28.09 Favored 'General case' 0 N--CA 1.453 -0.296 0 N-CA-C 109.269 -0.641 . . . . 0.0 109.269 179.499 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 64.8 t30 -68.71 -39.73 80.33 Favored 'General case' 0 N--CA 1.456 -0.16 0 O-C-N 122.326 -0.234 . . . . 0.0 111.019 -178.232 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 27.7 p 55.18 -0.83 0.03 OUTLIER 'General case' 0 N--CA 1.465 0.298 0 C-N-CA 126.904 2.081 . . . . 0.0 115.503 178.521 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 79.2 mt -89.45 -20.69 23.6 Favored 'General case' 0 N--CA 1.453 -0.314 0 C-N-CA 123.558 0.743 . . . . 0.0 111.748 175.634 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 60.9 t -120.87 -26.67 2.17 Favored 'Isoleucine or valine' 0 N--CA 1.462 0.127 0 C-N-CA 122.776 0.43 . . . . 0.0 111.374 -178.516 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 51.4 t -101.46 146.44 9.79 Favored 'Isoleucine or valine' 0 CA--C 1.527 0.087 0 CA-C-N 117.989 0.359 . . . . 0.0 110.092 179.602 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 8.1 mptt -134.98 171.46 14.39 Favored 'General case' 0 C--O 1.227 -0.098 0 C-N-CA 123.432 0.693 . . . . 0.0 110.294 -178.332 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 5.8 ptmm? -65.35 -6.75 10.85 Favored 'General case' 0 CA--C 1.529 0.147 0 C-N-CA 123.902 0.881 . . . . 0.0 112.01 178.818 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 40.9 m -98.72 -0.15 43.37 Favored 'General case' 0 CA--C 1.529 0.163 0 C-N-CA 123.509 0.723 . . . . 0.0 110.704 175.255 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 21.7 m-20 -115.84 -34.27 4.85 Favored 'General case' 0 N--CA 1.453 -0.312 0 C-N-CA 124.026 0.93 . . . . 0.0 110.343 179.939 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 84.7 t -65.37 -31.02 52.02 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.202 0 N-CA-C 108.819 -0.808 . . . . 0.0 108.819 178.643 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 25.4 pt-20 -79.6 8.61 6.17 Favored 'General case' 0 CA--C 1.532 0.257 0 N-CA-C 111.844 0.312 . . . . 0.0 111.844 177.875 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -126.97 -8.14 6.02 Favored 'General case' 0 N--CA 1.455 -0.217 0 C-N-CA 123.331 0.652 . . . . 0.0 111.147 176.911 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 74.6 mt -108.91 -27.56 2.91 Favored 'Isoleucine or valine' 0 C--N 1.339 0.124 0 C-N-CA 123.284 0.634 . . . . 0.0 110.375 178.671 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 37' ' ' PHE . . . . . . . . . . . . . 57.4 m-85 -102.83 -8.82 20.46 Favored 'General case' 0 N--CA 1.453 -0.307 0 C-N-CA 122.66 0.384 . . . . 0.0 110.784 -179.84 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 69.1 p -72.63 -15.15 61.73 Favored 'General case' 0 C--N 1.335 -0.058 0 C-N-CA 122.646 0.378 . . . . 0.0 111.535 -178.749 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 18.5 ptmt -80.02 -11.69 59.76 Favored 'General case' 0 N--CA 1.457 -0.125 0 C-N-CA 123.054 0.541 . . . . 0.0 112.342 179.011 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 40' ' ' TYR . . . . . . . . . . . . . 70.1 m-85 -105.68 -16.06 14.79 Favored 'General case' 0 C--O 1.233 0.208 0 C-N-CA 122.426 0.29 . . . . 0.0 111.308 178.125 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -175.74 161.66 30.53 Favored Glycine 0 CA--C 1.524 0.611 0 N-CA-C 111.864 -0.494 . . . . 0.0 111.864 174.319 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 78.1 tttt -71.65 114.83 10.14 Favored 'General case' 0 N--CA 1.452 -0.35 0 N-CA-C 108.72 -0.844 . . . . 0.0 108.72 177.52 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 43' ' ' ILE . . . . . . . . . . . . . 75.8 mt -84.05 129.84 36.91 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.26 0 N-CA-C 109.515 -0.55 . . . . 0.0 109.515 -178.536 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 33.6 m -108.89 -6.01 10.92 Favored 'Isoleucine or valine' 0 C--O 1.231 0.119 0 C-N-CA 123.293 0.637 . . . . 0.0 110.766 178.923 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . -170.0 146.25 9.82 Favored Glycine 0 CA--C 1.526 0.761 0 N-CA-C 109.961 -1.256 . . . . 0.0 109.961 177.517 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 46' ' ' CYS . . . . . . . . . . . . . 42.5 t -151.1 146.26 26.04 Favored 'General case' 0 N--CA 1.451 -0.395 0 CA-C-N 116.914 0.357 . . . . 0.0 110.254 -179.135 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 92.5 p -152.06 150.65 30.17 Favored 'General case' 0 N--CA 1.451 -0.395 0 CA-C-O 121.022 0.439 . . . . 0.0 110.096 177.204 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 48' ' ' VAL . . . . . . . . . . . . . 97.5 t -128.42 149.14 32.97 Favored 'Isoleucine or valine' 0 N--CA 1.456 -0.136 0 N-CA-C 108.617 -0.882 . . . . 0.0 108.617 175.534 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 49' ' ' HIS . . . . . . . . . . . . . 48.6 m-70 -136.02 -160.18 1.03 Allowed 'General case' 0 N--CA 1.451 -0.422 0 N-CA-C 107.961 -1.126 . . . . 0.0 107.961 -176.468 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 29.3 mmmt -97.15 117.81 32.18 Favored 'General case' 0 N--CA 1.456 -0.172 0 O-C-N 121.668 -0.645 . . . . 0.0 109.801 175.969 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 83.85 -9.39 62.95 Favored Glycine 0 CA--C 1.531 1.069 0 C-N-CA 123.627 0.632 . . . . 0.0 113.188 179.4 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 44.7 p90 -153.92 170.14 21.75 Favored 'General case' 0 C--O 1.232 0.138 0 CA-C-N 118.566 1.183 . . . . 0.0 111.919 179.488 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -148.75 172.32 14.8 Favored 'General case' 0 CA--C 1.531 0.224 0 C-N-CA 124.085 0.954 . . . . 0.0 110.06 176.256 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 54' ' ' PHE . . . . . . . . . . . . . 7.6 m-85 -139.67 148.88 43.01 Favored 'General case' 0 N--CA 1.455 -0.193 0 C-N-CA 123.325 0.65 . . . . 0.0 110.647 179.034 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 99.4 t -135.67 149.18 28.04 Favored 'Isoleucine or valine' 0 CA--C 1.519 -0.238 0 C-N-CA 123.938 0.895 . . . . 0.0 108.862 177.558 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 56' ' ' GLN . . . . . . . . . . . . . 65.1 tp60 -129.28 131.68 47.03 Favored 'General case' 0 N--CA 1.451 -0.4 0 N-CA-C 109.2 -0.667 . . . . 0.0 109.2 -178.689 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 57' ' ' TYR . . . . . . . . . . . . . 45.0 m-85 -114.74 176.29 5.12 Favored 'General case' 0 N--CA 1.457 -0.103 0 C-N-CA 123.467 0.707 . . . . 0.0 110.801 -179.003 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 58' ' ' VAL . . . . . . . . . . . . . 72.1 t -72.12 -31.23 39.05 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.357 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.056 178.116 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 59' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -155.78 168.53 26.91 Favored 'General case' 0 N--CA 1.454 -0.27 0 N-CA-C 112.302 0.482 . . . . 0.0 112.302 178.133 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 76.7 tt0 -58.19 -31.49 67.35 Favored 'General case' 0 CA--C 1.529 0.165 0 C-N-CA 123.952 0.901 . . . . 0.0 112.249 -178.678 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 19.2 tpp180 -59.13 -38.76 80.43 Favored 'General case' 0 C--O 1.23 0.065 0 CA-C-N 118.864 0.757 . . . . 0.0 110.124 -179.694 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 62' ' ' ASN . . . . . . . . . . . . . 19.4 m120 -71.29 -24.95 62.25 Favored 'General case' 0 N--CA 1.451 -0.405 0 C-N-CA 121.058 -0.257 . . . . 0.0 110.868 179.839 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -76.13 -37.21 58.32 Favored 'General case' 0 N--CA 1.455 -0.211 0 N-CA-C 110.045 -0.354 . . . . 0.0 110.045 178.473 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 64' ' ' ARG . . . . . . . . . . . . . 39.6 mmt180 -67.49 -28.12 67.58 Favored 'General case' 0 C--O 1.23 0.054 0 N-CA-C 109.86 -0.422 . . . . 0.0 109.86 178.283 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -77.81 -33.09 52.63 Favored 'General case' 0 N--CA 1.453 -0.315 0 CA-C-N 117.524 0.147 . . . . 0.0 110.873 -178.833 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -83.5 -34.95 25.22 Favored 'General case' 0 N--CA 1.452 -0.336 0 N-CA-C 111.632 0.234 . . . . 0.0 111.632 179.693 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 67' ' ' VAL . . . . . . . . . . . . . 51.8 t -65.58 -30.7 50.96 Favored 'Isoleucine or valine' 0 C--O 1.227 -0.088 0 N-CA-C 110.019 -0.363 . . . . 0.0 110.019 175.805 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -95.51 -10.07 30.74 Favored 'General case' 0 CA--C 1.531 0.219 0 N-CA-C 112.156 0.428 . . . . 0.0 112.156 177.917 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . -101.71 -14.03 30.68 Favored Glycine 0 CA--C 1.529 0.949 0 CA-C-O 119.175 -0.791 . . . . 0.0 113.87 -177.673 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 41.0 mm-40 -132.37 -18.96 2.49 Favored 'General case' 0 N--CA 1.463 0.188 0 CA-C-N 118.654 1.227 . . . . 0.0 112.116 -174.194 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 20.6 t70 -61.59 117.95 6.43 Favored 'General case' 0 N--CA 1.455 -0.188 0 O-C-N 121.337 -0.852 . . . . 0.0 110.008 178.579 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . 87.4 9.7 72.16 Favored Glycine 0 C--N 1.338 0.649 0 N-CA-C 111.271 -0.732 . . . . 0.0 111.271 179.636 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 73' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -75.19 169.67 17.56 Favored 'General case' 0 N--CA 1.451 -0.407 0 N-CA-C 106.555 -1.646 . . . . 0.0 106.555 171.175 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 74' ' ' MET . . . . . . . . . . . . . 34.3 ttm -115.28 121.56 43.26 Favored 'General case' 0 N--CA 1.448 -0.563 0 N-CA-C 109.404 -0.591 . . . . 0.0 109.404 -177.12 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 75' ' ' ILE . . . . . . . . . . . . . 0.2 OUTLIER -129.14 136.35 59.8 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.286 0 N-CA-C 109.396 -0.594 . . . . 0.0 109.396 179.544 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . 54.31 17.88 1.67 Allowed 'General case' 0 CA--C 1.532 0.262 0 C-N-CA 123.146 0.578 . . . . 0.0 112.143 -174.088 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 88.68 4.53 75.93 Favored Glycine 0 CA--C 1.527 0.808 0 CA-C-O 119.64 -0.533 . . . . 0.0 112.079 -179.369 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 78' ' ' GLN . . . . . . . . . . . . . 1.0 OUTLIER -124.05 131.57 53.57 Favored 'General case' 0 N--CA 1.452 -0.366 0 CA-C-N 117.711 0.756 . . . . 0.0 110.151 -179.371 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 79' ' ' VAL . . . . . . . . . . . . . 51.2 t -63.59 140.92 18.87 Favored 'Isoleucine or valine' 0 N--CA 1.46 0.069 0 C-N-CA 123.985 0.914 . . . . 0.0 110.542 -178.915 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 31.0 mt -94.92 157.39 15.93 Favored 'General case' 0 C--O 1.23 0.042 0 CA-C-O 120.896 0.379 . . . . 0.0 111.437 177.354 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 81' ' ' ASP . . . . . . . . . . . . . 38.6 t70 -124.05 101.01 7.0 Favored 'General case' 0 N--CA 1.453 -0.287 0 N-CA-C 107.796 -1.187 . . . . 0.0 107.796 175.887 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 82' ' ' ILE . . . . . . . . . . . . . 62.6 mt -114.96 138.79 44.1 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.238 0 C-N-CA 122.725 0.41 . . . . 0.0 110.397 -170.83 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 83' ' ' ASN . . . . . . . . . . . . . 6.1 t30 -154.01 158.02 39.96 Favored 'General case' 0 N--CA 1.454 -0.231 0 C-N-CA 123.15 0.58 . . . . 0.0 109.594 -175.863 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 84' ' ' LEU . . . . . . . . . . . . . 9.7 tp -61.5 143.49 55.84 Favored 'General case' 0 N--CA 1.45 -0.442 0 O-C-N 121.697 -0.627 . . . . 0.0 109.832 174.886 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.532 0.288 0 N-CA-C 113.159 0.8 . . . . 0.0 113.159 -177.098 . . . . . . . . 0 0 . 1 . 008 nuclear build core ' A' A ' 98' ' ' LYS . . . . . . . . . . . . . 71.9 mmtt . . . . . 0 C--O 1.231 0.083 0 CA-C-O 120.637 0.256 . . . . 0.0 110.777 . . . . . . . . . 0 0 . 1 . 008 nuclear build core ' A' A ' 99' ' ' ARG . . . . . . . . . . . . . 16.6 tpp180 -138.89 170.47 15.93 Favored 'General case' 0 N--CA 1.452 -0.35 0 C-N-CA 124.063 0.945 . . . . 0.0 109.96 -177.017 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 74.5 m -64.89 -14.24 59.06 Favored 'General case' 0 N--CA 1.456 -0.175 0 C-N-CA 123.386 0.674 . . . . 0.0 112.185 178.868 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 101' ' ' ALA . . . . . . . . . . . . . . . 53.12 15.76 0.66 Allowed 'General case' 0 CA--C 1.533 0.326 0 C-N-CA 123.829 0.851 . . . . 0.0 112.596 -175.764 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -148.94 15.68 0.94 Allowed 'General case' 0 CA--C 1.531 0.215 0 C-N-CA 123.564 0.745 . . . . 0.0 110.822 -178.337 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 20.9 pt-20 -69.62 -5.44 24.7 Favored 'General case' 0 CA--C 1.531 0.222 0 N-CA-C 112.531 0.567 . . . . 0.0 112.531 -176.565 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 104' ' ' MET . . . . . . . . . . . . . 73.8 mtm -105.16 7.15 33.62 Favored 'General case' 0 CA--C 1.528 0.107 0 C-N-CA 123.515 0.726 . . . . 0.0 111.17 178.839 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 105' ' ' TYR . . . . . . . . . . . . . 59.1 m-85 -133.73 4.08 3.57 Favored 'General case' 0 CA--C 1.53 0.209 0 C-N-CA 123.196 0.598 . . . . 0.0 111.77 -177.988 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 106' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--N 1.34 0.758 0 N-CA-C 110.494 -1.043 . . . . 0.0 110.494 179.766 . . . . . . . . 0 0 . 1 . 009 nuclear build core ' A' A ' 4' ' ' ASN . . . . . . . . . . . . . 88.9 m-20 . . . . . 0 CA--C 1.53 0.192 0 CA-C-O 120.003 -0.046 . . . . 0.0 110.979 . . . . . . . . . 0 0 . 1 . 009 nuclear build core ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 84.8 t -88.98 131.09 37.19 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.277 0 CA-C-O 120.681 0.277 . . . . 0.0 111.425 -175.782 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 67.3 p -146.28 10.25 1.12 Allowed 'General case' 0 C--O 1.225 -0.19 0 CA-C-N 115.726 -0.67 . . . . 0.0 111.45 179.355 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 7' ' ' ASN . . . . . . . . . . . . . 61.4 t-20 . . . . . 0 C--O 1.232 0.154 0 CA-C-N 119.458 1.026 . . . . 0.0 111.127 -178.37 . . . . . . . . 0 0 . 1 . 009 nuclear build core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 18.0 m . . . . . 0 N--CA 1.455 -0.217 0 CA-C-O 120.421 0.153 . . . . 0.0 110.846 . . . . . . . . . 0 0 . 1 . 009 nuclear build core ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 30.1 ttp-105 -104.85 151.72 23.48 Favored 'General case' 0 N--CA 1.454 -0.262 0 C-N-CA 123.928 0.891 . . . . 0.0 109.287 178.176 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 82.3 t -126.09 129.96 72.19 Favored 'Isoleucine or valine' 0 N--CA 1.449 -0.498 0 C-N-CA 123.234 0.613 . . . . 0.0 109.608 178.518 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 19.2 t80 -92.46 133.85 35.51 Favored 'General case' 0 N--CA 1.451 -0.39 0 CA-C-N 115.234 -0.894 . . . . 0.0 108.981 175.949 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 58.7 mt -121.52 83.89 0.83 Allowed 'Isoleucine or valine' 0 CA--C 1.52 -0.187 0 N-CA-C 107.865 -1.161 . . . . 0.0 107.865 -178.69 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -85.92 173.47 47.0 Favored Glycine 0 CA--C 1.523 0.582 0 N-CA-C 111.045 -0.822 . . . . 0.0 111.045 178.968 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 6.7 t30 51.16 43.5 29.14 Favored 'General case' 0 CA--C 1.531 0.239 0 C-N-CA 123.115 0.566 . . . . 0.0 110.364 179.894 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 60.0 tp -97.37 146.9 24.72 Favored 'General case' 0 CA--C 1.529 0.172 0 C-N-CA 124.265 1.026 . . . . 0.0 109.416 -179.723 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 64.2 t30 -68.97 -42.77 76.13 Favored 'General case' 0 N--CA 1.455 -0.211 0 O-C-N 122.147 -0.346 . . . . 0.0 110.789 -177.91 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 33.5 p 57.32 -4.08 0.04 OUTLIER 'General case' 0 N--CA 1.465 0.296 0 C-N-CA 126.958 2.103 . . . . 0.0 115.155 179.66 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 68.2 mt -83.43 -22.59 32.61 Favored 'General case' 0 N--CA 1.453 -0.324 0 O-C-N 121.894 -0.504 . . . . 0.0 111.97 174.923 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 62.1 t -121.02 -25.46 2.48 Favored 'Isoleucine or valine' 0 CA--C 1.529 0.139 0 C-N-CA 122.777 0.431 . . . . 0.0 111.747 -177.679 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 59.3 t -99.68 146.34 8.95 Favored 'Isoleucine or valine' 0 N--CA 1.461 0.118 0 CA-C-N 118.218 0.463 . . . . 0.0 110.66 179.948 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 8.2 mptt -135.61 171.45 14.43 Favored 'General case' 0 CA--C 1.521 -0.152 0 C-N-CA 123.536 0.735 . . . . 0.0 109.839 -178.764 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 7.3 ptmm? -65.21 -8.1 15.87 Favored 'General case' 0 C--N 1.332 -0.195 0 C-N-CA 124.27 1.028 . . . . 0.0 112.291 179.755 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 47.7 p -94.3 -13.22 26.69 Favored 'General case' 0 C--N 1.333 -0.124 0 C-N-CA 123.631 0.772 . . . . 0.0 110.498 176.149 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 42.8 m-20 -100.65 -35.06 9.62 Favored 'General case' 0 N--CA 1.452 -0.334 0 C-N-CA 124.491 1.117 . . . . 0.0 110.785 178.314 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 93.2 t -65.3 -31.71 55.06 Favored 'Isoleucine or valine' 0 N--CA 1.456 -0.152 0 N-CA-C 109.235 -0.654 . . . . 0.0 109.235 179.541 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 26.5 pt-20 -80.67 9.28 6.38 Favored 'General case' 0 CA--C 1.531 0.219 0 C-N-CA 122.33 0.252 . . . . 0.0 111.652 178.061 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -127.4 -7.1 5.82 Favored 'General case' 0 CA--C 1.532 0.258 0 C-N-CA 123.474 0.71 . . . . 0.0 111.049 176.143 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 74.4 mt -111.48 -27.76 2.74 Favored 'Isoleucine or valine' 0 C--N 1.34 0.178 0 C-N-CA 123.047 0.539 . . . . 0.0 110.501 178.901 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 37' ' ' PHE . . . . . . . . . . . . . 65.2 m-85 -104.24 -5.62 21.71 Favored 'General case' 0 N--CA 1.454 -0.234 0 C-N-CA 122.76 0.424 . . . . 0.0 110.988 179.513 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 68.5 p -76.68 -14.32 59.97 Favored 'General case' 0 CA--C 1.53 0.178 0 C-N-CA 122.684 0.394 . . . . 0.0 111.611 179.855 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 13.1 ptmm? -82.51 -10.91 58.81 Favored 'General case' 0 CA--C 1.528 0.121 0 C-N-CA 123.078 0.551 . . . . 0.0 112.119 178.813 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 40' ' ' TYR . . . . . . . . . . . . . 83.9 m-85 -106.07 -14.86 15.04 Favored 'General case' 0 C--O 1.233 0.187 0 C-N-CA 122.677 0.391 . . . . 0.0 111.41 177.556 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -176.78 164.27 33.73 Favored Glycine 0 C--N 1.335 0.491 0 N-CA-C 112.303 -0.319 . . . . 0.0 112.303 174.521 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 79.1 tttt -74.65 112.99 11.4 Favored 'General case' 0 N--CA 1.451 -0.386 0 N-CA-C 109.132 -0.692 . . . . 0.0 109.132 177.658 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 43' ' ' ILE . . . . . . . . . . . . . 76.7 mt -83.45 128.62 38.61 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.192 0 N-CA-C 109.66 -0.496 . . . . 0.0 109.66 -178.153 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 34.5 m -107.16 -8.53 10.68 Favored 'Isoleucine or valine' 0 C--O 1.23 0.051 0 C-N-CA 123.368 0.667 . . . . 0.0 110.608 178.883 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . -169.71 147.29 10.77 Favored Glycine 0 CA--C 1.527 0.791 0 N-CA-C 110.383 -1.087 . . . . 0.0 110.383 177.685 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 46' ' ' CYS . . . . . . . . . . . . . 54.1 t -152.3 144.21 23.71 Favored 'General case' 0 N--CA 1.451 -0.42 0 N-CA-C 109.668 -0.493 . . . . 0.0 109.668 178.401 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 32.5 t -151.1 134.54 16.22 Favored 'General case' 0 N--CA 1.451 -0.395 0 N-CA-C 109.615 -0.513 . . . . 0.0 109.615 177.112 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 48' ' ' VAL . . . . . . . . . . . . . 86.9 t -109.84 147.92 13.85 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.19 0 N-CA-C 109.262 -0.644 . . . . 0.0 109.262 178.223 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 49' ' ' HIS . . . . . . . . . . . . . 54.2 m-70 -134.26 -168.34 2.12 Favored 'General case' 0 N--CA 1.451 -0.423 0 N-CA-C 107.973 -1.121 . . . . 0.0 107.973 -177.353 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 98.0 mttt -86.71 118.8 26.35 Favored 'General case' 0 N--CA 1.454 -0.256 0 O-C-N 121.718 -0.613 . . . . 0.0 109.885 177.529 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 80.89 -9.52 52.16 Favored Glycine 0 CA--C 1.531 1.073 0 C-N-CA 123.636 0.636 . . . . 0.0 113.692 178.789 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 51.7 p90 -153.36 169.84 22.13 Favored 'General case' 0 N--CA 1.456 -0.174 0 CA-C-N 118.664 1.232 . . . . 0.0 111.632 179.291 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -147.98 172.21 14.57 Favored 'General case' 0 CA--C 1.531 0.24 0 C-N-CA 123.794 0.838 . . . . 0.0 110.428 177.001 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 54' ' ' PHE . . . . . . . . . . . . . 13.4 m-85 -138.93 147.31 42.13 Favored 'General case' 0 N--CA 1.454 -0.236 0 C-N-CA 123.802 0.841 . . . . 0.0 110.26 179.072 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 94.7 t -137.7 135.51 46.02 Favored 'Isoleucine or valine' 0 CA--C 1.519 -0.226 0 C-N-CA 123.887 0.875 . . . . 0.0 109.214 178.593 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 56' ' ' GLN . . . . . . . . . . . . . 66.9 tp60 -114.57 130.79 56.81 Favored 'General case' 0 N--CA 1.452 -0.37 0 N-CA-C 109.295 -0.632 . . . . 0.0 109.295 -178.666 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 57' ' ' TYR . . . . . . . . . . . . . 45.7 m-85 -111.33 173.66 6.23 Favored 'General case' 0 N--CA 1.455 -0.22 0 C-N-CA 123.385 0.674 . . . . 0.0 110.37 178.392 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 58' ' ' VAL . . . . . . . . . . . . . 62.8 t -70.5 -32.06 48.63 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.19 0 N-CA-C 110.083 -0.34 . . . . 0.0 110.083 178.438 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 59' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -154.98 166.56 33.19 Favored 'General case' 0 CA--C 1.53 0.194 0 CA-C-O 120.962 0.41 . . . . 0.0 112.093 178.86 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 77.0 tt0 -57.83 -29.69 65.14 Favored 'General case' 0 CA--C 1.529 0.172 0 C-N-CA 123.702 0.801 . . . . 0.0 112.641 -178.616 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 35.9 tpt85 -60.12 -37.5 80.23 Favored 'General case' 0 CA--C 1.528 0.123 0 CA-C-N 119.071 0.85 . . . . 0.0 110.075 179.909 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 62' ' ' ASN . . . . . . . . . . . . . 19.0 m120 -74.33 -25.09 59.33 Favored 'General case' 0 N--CA 1.452 -0.369 0 C-N-CA 120.822 -0.351 . . . . 0.0 111.104 178.871 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -76.6 -36.71 57.35 Favored 'General case' 0 N--CA 1.455 -0.224 0 N-CA-C 110.327 -0.249 . . . . 0.0 110.327 178.112 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 64' ' ' ARG . . . . . . . . . . . . . 31.6 mmt180 -69.86 -25.97 63.98 Favored 'General case' 0 N--CA 1.457 -0.078 0 C-N-CA 122.538 0.335 . . . . 0.0 110.374 178.629 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -79.29 -33.65 43.17 Favored 'General case' 0 N--CA 1.453 -0.3 0 O-C-N 122.49 -0.131 . . . . 0.0 111.083 179.225 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -80.29 -35.08 36.31 Favored 'General case' 0 N--CA 1.451 -0.392 0 O-C-N 122.092 -0.38 . . . . 0.0 111.103 179.812 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 67' ' ' VAL . . . . . . . . . . . . . 49.9 t -66.59 -33.56 64.29 Favored 'Isoleucine or valine' 0 N--CA 1.456 -0.156 0 N-CA-C 110.0 -0.37 . . . . 0.0 110.0 176.154 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -90.44 -9.46 47.39 Favored 'General case' 0 N--CA 1.453 -0.307 0 O-C-N 122.212 -0.305 . . . . 0.0 111.795 178.224 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . -105.04 -11.69 29.34 Favored Glycine 0 CA--C 1.531 1.073 0 CA-C-O 119.065 -0.853 . . . . 0.0 113.792 -177.256 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 28.3 mm-40 -135.33 -20.59 1.62 Allowed 'General case' 0 CA--C 1.53 0.185 0 CA-C-N 118.735 1.267 . . . . 0.0 112.554 -174.544 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 22.8 t0 -61.88 116.85 5.2 Favored 'General case' 0 N--CA 1.455 -0.2 0 O-C-N 120.909 -1.119 . . . . 0.0 109.974 178.992 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . 88.33 9.91 69.09 Favored Glycine 0 C--N 1.34 0.794 0 N-CA-C 111.141 -0.783 . . . . 0.0 111.141 179.837 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 73' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -76.29 169.51 18.09 Favored 'General case' 0 N--CA 1.452 -0.353 0 N-CA-C 106.381 -1.711 . . . . 0.0 106.381 172.133 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 74' ' ' MET . . . . . . . . . . . . . 31.5 ttm -114.72 121.03 42.09 Favored 'General case' 0 N--CA 1.45 -0.471 0 N-CA-C 109.245 -0.65 . . . . 0.0 109.245 -177.116 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 75' ' ' ILE . . . . . . . . . . . . . 0.2 OUTLIER -128.29 136.89 58.92 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.239 0 CA-C-N 115.983 -0.553 . . . . 0.0 109.979 179.621 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . 54.27 19.11 2.07 Favored 'General case' 0 CA--C 1.532 0.274 0 C-N-CA 123.097 0.559 . . . . 0.0 111.916 -173.666 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 88.05 5.07 77.45 Favored Glycine 0 CA--C 1.527 0.834 0 CA-C-O 119.835 -0.425 . . . . 0.0 112.099 -179.325 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 78' ' ' GLN . . . . . . . . . . . . . 1.0 OUTLIER -125.97 134.54 51.48 Favored 'General case' 0 CA--C 1.534 0.364 0 CA-C-N 117.841 0.82 . . . . 0.0 110.812 -179.397 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 79' ' ' VAL . . . . . . . . . . . . . 65.6 t -63.22 141.42 18.15 Favored 'Isoleucine or valine' 0 C--O 1.228 -0.069 0 C-N-CA 124.715 1.206 . . . . 0.0 110.884 -178.833 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 29.9 mt -97.5 157.23 16.12 Favored 'General case' 0 C--N 1.333 -0.151 0 CA-C-O 120.709 0.29 . . . . 0.0 111.54 176.064 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 81' ' ' ASP . . . . . . . . . . . . . 31.0 t70 -123.04 103.77 8.8 Favored 'General case' 0 N--CA 1.452 -0.365 0 N-CA-C 107.971 -1.122 . . . . 0.0 107.971 174.474 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 82' ' ' ILE . . . . . . . . . . . . . 64.0 mt -119.85 139.85 45.79 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.181 0 CA-C-N 116.381 -0.372 . . . . 0.0 110.511 -170.007 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 83' ' ' ASN . . . . . . . . . . . . . 1.6 p-10 -161.33 170.45 20.11 Favored 'General case' 0 CA--C 1.527 0.084 0 C-N-CA 123.543 0.737 . . . . 0.0 110.343 179.674 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 84' ' ' LEU . . . . . 0.439 ' H ' HD22 ' A' ' 84' ' ' LEU . 3.2 mm? -61.2 149.62 37.02 Favored 'General case' 0 C--O 1.227 -0.115 0 N-CA-C 108.977 -0.749 . . . . 0.0 108.977 176.025 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.534 0.333 0 N-CA-C 111.92 0.341 . . . . 0.0 111.92 178.147 . . . . . . . . 0 0 . 1 . 009 nuclear build core ' A' A ' 98' ' ' LYS . . . . . . . . . . . . . 61.1 mttm . . . . . 0 C--O 1.231 0.11 0 N-CA-C 112.044 0.387 . . . . 0.0 112.044 . . . . . . . . . 0 0 . 1 . 009 nuclear build core ' A' A ' 99' ' ' ARG . . . . . . . . . . . . . 2.1 mpp_? -117.9 170.94 8.41 Favored 'General case' 0 N--CA 1.457 -0.107 0 C-N-CA 124.847 1.259 . . . . 0.0 109.388 178.435 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 9.1 t -72.03 -12.64 61.32 Favored 'General case' 0 N--CA 1.455 -0.22 0 CA-C-N 116.403 -0.362 . . . . 0.0 110.981 178.909 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 101' ' ' ALA . . . . . . . . . . . . . . . 55.71 9.01 0.37 Allowed 'General case' 0 CA--C 1.534 0.346 0 C-N-CA 124.483 1.113 . . . . 0.0 113.128 -174.911 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -147.87 6.59 0.81 Allowed 'General case' 0 CA--C 1.533 0.311 0 C-N-CA 123.449 0.7 . . . . 0.0 111.367 179.022 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 12.1 pt-20 -74.6 -7.55 53.53 Favored 'General case' 0 CA--C 1.527 0.089 0 O-C-N 122.141 -0.35 . . . . 0.0 111.913 -176.581 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 104' ' ' MET . . . . . . . . . . . . . 3.9 mpp? -91.61 2.16 56.65 Favored 'General case' 0 N--CA 1.453 -0.294 0 C-N-CA 122.978 0.511 . . . . 0.0 110.819 177.034 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 105' ' ' TYR . . . . . . . . . . . . . 31.7 m-85 -133.76 4.51 3.59 Favored 'General case' 0 CA--C 1.532 0.255 0 C-N-CA 123.133 0.573 . . . . 0.0 111.572 -176.282 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 106' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.525 0.664 0 N-CA-C 111.353 -0.699 . . . . 0.0 111.353 -179.82 . . . . . . . . 0 0 . 1 . 010 nuclear build core ' A' A ' 4' ' ' ASN . . . . . . . . . . . . . 53.3 p-10 . . . . . 0 CA--C 1.531 0.217 0 N-CA-C 112.006 0.373 . . . . 0.0 112.006 . . . . . . . . . 0 0 . 1 . 010 nuclear build core ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 94.7 t -96.51 131.61 42.87 Favored 'Isoleucine or valine' 0 N--CA 1.456 -0.163 0 C-N-CA 122.987 0.515 . . . . 0.0 110.745 -177.864 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 40.0 p -146.54 12.01 1.15 Allowed 'General case' 0 CA--C 1.529 0.162 0 C-N-CA 123.315 0.646 . . . . 0.0 111.714 179.325 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 7' ' ' ASN . . . . . . . . . . . . . 62.2 t-20 . . . . . 0 C--O 1.231 0.121 0 CA-C-N 119.137 0.88 . . . . 0.0 111.764 -177.865 . . . . . . . . 0 0 . 1 . 010 nuclear build core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 14.9 m . . . . . 0 CA--C 1.529 0.168 0 N-CA-C 110.64 -0.133 . . . . 0.0 110.64 . . . . . . . . . 0 0 . 1 . 010 nuclear build core ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 35.5 ttm180 -111.96 155.82 23.11 Favored 'General case' 0 N--CA 1.456 -0.146 0 C-N-CA 124.472 1.109 . . . . 0.0 110.163 -176.164 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 75.0 t -131.59 133.13 62.02 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.214 0 N-CA-C 109.949 -0.389 . . . . 0.0 109.949 177.155 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 35.6 t80 -94.12 135.63 35.28 Favored 'General case' 0 N--CA 1.45 -0.443 0 N-CA-C 108.949 -0.76 . . . . 0.0 108.949 175.443 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 59.3 mt -122.45 82.44 0.76 Allowed 'Isoleucine or valine' 0 N--CA 1.457 -0.1 0 N-CA-C 107.897 -1.149 . . . . 0.0 107.897 -179.376 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -84.48 175.18 50.83 Favored Glycine 0 CA--C 1.521 0.436 0 N-CA-C 110.759 -0.936 . . . . 0.0 110.759 178.796 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 61.3 t30 48.62 46.37 21.2 Favored 'General case' 0 CA--C 1.531 0.221 0 C-N-CA 122.708 0.403 . . . . 0.0 110.771 -178.057 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 59.4 tp -98.79 144.77 27.65 Favored 'General case' 0 N--CA 1.454 -0.236 0 C-N-CA 123.114 0.566 . . . . 0.0 109.627 179.244 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 63.8 t30 -67.91 -39.15 83.6 Favored 'General case' 0 CA--C 1.528 0.13 0 C-N-CA 120.964 -0.294 . . . . 0.0 111.075 -178.112 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 35.8 p 54.14 4.86 0.06 Allowed 'General case' 0 N--CA 1.467 0.385 0 C-N-CA 126.19 1.796 . . . . 0.0 115.287 179.527 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 7.3 mp -98.87 -15.05 19.34 Favored 'General case' 0 CA--C 1.53 0.209 0 C-N-CA 123.353 0.661 . . . . 0.0 111.383 177.256 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 62.5 t -126.33 -23.71 1.79 Allowed 'Isoleucine or valine' 0 CA--C 1.528 0.11 0 C-N-CA 122.526 0.331 . . . . 0.0 110.587 179.443 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 49.7 t -102.96 145.65 11.98 Favored 'Isoleucine or valine' 0 N--CA 1.462 0.136 0 N-CA-C 110.084 -0.339 . . . . 0.0 110.084 178.515 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 8.0 mptt -135.49 172.26 13.27 Favored 'General case' 0 N--CA 1.457 -0.095 0 C-N-CA 123.304 0.642 . . . . 0.0 110.143 -178.308 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 9.5 ptmt -67.27 -4.52 10.88 Favored 'General case' 0 CA--C 1.528 0.111 0 C-N-CA 123.584 0.754 . . . . 0.0 112.125 178.159 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 32.2 m -98.76 0.61 44.81 Favored 'General case' 0 CA--C 1.531 0.216 0 C-N-CA 123.377 0.671 . . . . 0.0 110.749 173.979 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 20.0 m-20 -117.06 -32.86 4.9 Favored 'General case' 0 N--CA 1.452 -0.365 0 C-N-CA 123.897 0.879 . . . . 0.0 110.925 179.906 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 77.5 t -62.59 -31.94 53.73 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.175 0 N-CA-C 109.375 -0.602 . . . . 0.0 109.375 177.511 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 24.1 pt-20 -77.76 5.43 9.45 Favored 'General case' 0 CA--C 1.531 0.249 0 N-CA-C 112.179 0.437 . . . . 0.0 112.179 178.635 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -125.19 -8.29 7.07 Favored 'General case' 0 N--CA 1.455 -0.201 0 C-N-CA 122.815 0.446 . . . . 0.0 111.183 177.223 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 81.1 mt -108.75 -27.64 2.9 Favored 'Isoleucine or valine' 0 CA--C 1.527 0.085 0 C-N-CA 123.276 0.63 . . . . 0.0 110.942 179.756 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 37' ' ' PHE . . . . . . . . . . . . . 62.6 m-85 -104.12 -9.69 18.54 Favored 'General case' 0 N--CA 1.453 -0.312 0 C-N-CA 122.535 0.334 . . . . 0.0 110.841 179.915 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 23.3 t -75.13 -8.17 55.82 Favored 'General case' 0 CA--C 1.528 0.134 0 O-C-N 121.995 -0.44 . . . . 0.0 111.119 -178.63 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 13.1 ptmm? -85.07 -11.29 55.62 Favored 'General case' 0 CA--C 1.528 0.103 0 C-N-CA 122.779 0.432 . . . . 0.0 112.011 178.25 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 40' ' ' TYR . . . . . . . . . . . . . 67.9 m-85 -105.83 -15.5 14.92 Favored 'General case' 0 C--N 1.34 0.162 0 C-N-CA 122.518 0.327 . . . . 0.0 111.46 178.495 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -176.33 162.61 31.44 Favored Glycine 0 C--N 1.333 0.413 0 N-CA-C 111.317 -0.713 . . . . 0.0 111.317 174.737 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 56.0 tttp -72.99 114.95 11.71 Favored 'General case' 0 N--CA 1.451 -0.42 0 N-CA-C 108.644 -0.872 . . . . 0.0 108.644 178.225 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 43' ' ' ILE . . . . . . . . . . . . . 70.2 mt -82.55 130.37 35.88 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.301 0 N-CA-C 109.765 -0.457 . . . . 0.0 109.765 -179.001 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 32.5 m -108.96 -5.66 10.89 Favored 'Isoleucine or valine' 0 N--CA 1.458 -0.072 0 C-N-CA 123.201 0.6 . . . . 0.0 110.653 178.823 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . -171.09 145.66 9.07 Favored Glycine 0 CA--C 1.524 0.654 0 N-CA-C 109.824 -1.31 . . . . 0.0 109.824 177.466 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 46' ' ' CYS . . . . . . . . . . . . . 24.9 p -148.63 152.88 37.5 Favored 'General case' 0 N--CA 1.452 -0.353 0 CA-C-N 116.976 0.388 . . . . 0.0 110.057 -179.55 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 20.2 t -159.85 151.89 20.55 Favored 'General case' 0 N--CA 1.452 -0.329 0 CA-C-O 120.692 0.282 . . . . 0.0 110.417 176.218 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 48' ' ' VAL . . . . . . . . . . . . . 94.5 t -128.6 146.32 34.18 Favored 'Isoleucine or valine' 0 CA--C 1.522 -0.128 0 C-N-CA 123.4 0.68 . . . . 0.0 109.203 176.205 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 49' ' ' HIS . . . . . . . . . . . . . 53.0 m-70 -134.31 -163.98 1.44 Allowed 'General case' 0 N--CA 1.449 -0.489 0 C-N-CA 124.399 1.08 . . . . 0.0 108.13 -176.295 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 65.5 mttp -90.7 116.95 28.96 Favored 'General case' 0 N--CA 1.454 -0.261 0 N-CA-C 109.631 -0.507 . . . . 0.0 109.631 177.139 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 81.27 -9.32 54.99 Favored Glycine 0 CA--C 1.531 1.033 0 CA-C-O 119.292 -0.727 . . . . 0.0 113.531 178.548 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 46.4 p90 -150.53 170.16 19.79 Favored 'General case' 0 CA--C 1.528 0.115 0 CA-C-N 118.783 1.291 . . . . 0.0 111.661 178.149 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -148.01 172.86 13.56 Favored 'General case' 0 N--CA 1.453 -0.276 0 C-N-CA 123.95 0.9 . . . . 0.0 110.12 175.324 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 54' ' ' PHE . . . . . . . . . . . . . 13.6 m-85 -140.1 149.3 42.91 Favored 'General case' 0 N--CA 1.454 -0.237 0 C-N-CA 123.539 0.736 . . . . 0.0 110.909 -179.319 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 90.0 t -137.67 146.92 26.73 Favored 'Isoleucine or valine' 0 CA--C 1.519 -0.248 0 C-N-CA 124.084 0.954 . . . . 0.0 109.092 177.448 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 56' ' ' GLN . . . . . . . . . . . . . 68.3 tp60 -126.77 133.67 50.78 Favored 'General case' 0 N--CA 1.447 -0.62 0 N-CA-C 109.241 -0.651 . . . . 0.0 109.241 179.989 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 57' ' ' TYR . . . . . . . . . . . . . 52.4 m-85 -115.94 175.02 5.73 Favored 'General case' 0 N--CA 1.454 -0.269 0 C-N-CA 123.43 0.692 . . . . 0.0 110.62 -179.506 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 58' ' ' VAL . . . . . . . . . . . . . 74.9 t -69.39 -31.62 50.13 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.217 0 CA-C-N 116.236 -0.438 . . . . 0.0 109.933 177.82 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 59' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -155.61 166.97 31.91 Favored 'General case' 0 N--CA 1.452 -0.359 0 N-CA-C 112.167 0.432 . . . . 0.0 112.167 178.519 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 86.0 tt0 -57.47 -30.67 65.24 Favored 'General case' 0 CA--C 1.53 0.179 0 C-N-CA 123.905 0.882 . . . . 0.0 112.703 -179.216 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 26.8 tpt180 -59.2 -39.29 82.15 Favored 'General case' 0 N--CA 1.461 0.094 0 CA-C-N 119.307 0.958 . . . . 0.0 109.666 179.556 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 62' ' ' ASN . . . . . . . . . . . . . 19.7 m120 -71.48 -24.43 61.99 Favored 'General case' 0 N--CA 1.45 -0.429 0 C-N-CA 120.599 -0.441 . . . . 0.0 111.025 -179.747 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -75.07 -38.49 61.28 Favored 'General case' 0 N--CA 1.454 -0.255 0 N-CA-C 110.191 -0.3 . . . . 0.0 110.191 177.55 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 64' ' ' ARG . . . . . . . . . . . . . 36.1 mmt180 -69.19 -25.0 64.12 Favored 'General case' 0 CA--C 1.528 0.133 0 N-CA-C 110.397 -0.223 . . . . 0.0 110.397 179.25 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -80.67 -32.88 35.89 Favored 'General case' 0 N--CA 1.454 -0.262 0 O-C-N 122.519 -0.113 . . . . 0.0 110.933 -179.548 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -81.72 -34.37 30.58 Favored 'General case' 0 N--CA 1.453 -0.31 0 O-C-N 122.164 -0.335 . . . . 0.0 111.022 179.089 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 67' ' ' VAL . . . . . . . . . . . . . 45.6 t -64.87 -34.84 73.05 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.203 0 N-CA-C 109.96 -0.385 . . . . 0.0 109.96 175.05 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -90.41 -10.02 45.4 Favored 'General case' 0 CA--C 1.532 0.277 0 N-CA-C 111.867 0.321 . . . . 0.0 111.867 178.794 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . -101.71 -14.3 29.93 Favored Glycine 0 CA--C 1.53 1.019 0 CA-C-O 119.181 -0.788 . . . . 0.0 113.814 -177.418 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 41.8 mm-40 -133.62 -19.85 2.08 Favored 'General case' 0 C--N 1.34 0.185 0 CA-C-N 118.721 1.261 . . . . 0.0 112.603 -173.467 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 21.5 t0 -61.96 116.69 5.1 Favored 'General case' 0 N--CA 1.456 -0.173 0 O-C-N 121.381 -0.825 . . . . 0.0 110.011 179.052 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . 89.32 9.7 66.78 Favored Glycine 0 C--N 1.338 0.66 0 N-CA-C 111.252 -0.739 . . . . 0.0 111.252 -179.92 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 73' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -75.91 168.97 19.05 Favored 'General case' 0 N--CA 1.452 -0.356 0 N-CA-C 106.493 -1.669 . . . . 0.0 106.493 171.976 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 74' ' ' MET . . . . . . . . . . . . . 34.7 ttm -114.78 122.85 47.64 Favored 'General case' 0 N--CA 1.448 -0.536 0 N-CA-C 109.227 -0.657 . . . . 0.0 109.227 -176.93 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 75' ' ' ILE . . . . . . . . . . . . . 0.2 OUTLIER -130.44 135.95 59.5 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.393 0 N-CA-C 109.368 -0.604 . . . . 0.0 109.368 179.839 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . 54.8 17.33 1.72 Allowed 'General case' 0 CA--C 1.533 0.308 0 C-N-CA 122.977 0.511 . . . . 0.0 112.296 -174.595 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 89.54 4.9 72.72 Favored Glycine 0 CA--C 1.527 0.789 0 CA-C-O 119.644 -0.531 . . . . 0.0 111.962 -179.388 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 78' ' ' GLN . . . . . . . . . . . . . 1.0 OUTLIER -124.92 131.37 53.44 Favored 'General case' 0 N--CA 1.451 -0.38 0 CA-C-N 117.883 0.842 . . . . 0.0 110.255 -179.38 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 79' ' ' VAL . . . . . . . . . . . . . 47.5 t -63.12 139.81 20.65 Favored 'Isoleucine or valine' 0 CA--C 1.523 -0.086 0 C-N-CA 124.296 1.038 . . . . 0.0 110.144 -179.212 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 31.2 mt -93.62 156.72 16.55 Favored 'General case' 0 C--O 1.232 0.153 0 CA-C-O 120.691 0.282 . . . . 0.0 110.836 177.17 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 81' ' ' ASP . . . . . . . . . . . . . 33.4 t70 -123.6 102.55 7.92 Favored 'General case' 0 N--CA 1.451 -0.376 0 N-CA-C 108.221 -1.029 . . . . 0.0 108.221 174.338 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 82' ' ' ILE . . . . . . . . . . . . . 61.0 mt -117.48 138.75 47.14 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.285 0 C-N-CA 123.255 0.622 . . . . 0.0 110.397 -169.917 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 83' ' ' ASN . . . . . . . . . . . . . 2.1 p-10 -156.85 164.83 37.63 Favored 'General case' 0 N--CA 1.455 -0.219 0 CA-C-O 121.135 0.493 . . . . 0.0 111.192 179.273 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 84' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -58.99 132.05 52.87 Favored 'General case' 0 N--CA 1.452 -0.334 0 N-CA-C 108.425 -0.954 . . . . 0.0 108.425 174.924 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.532 0.288 0 N-CA-C 114.264 1.209 . . . . 0.0 114.264 -175.002 . . . . . . . . 0 0 . 1 . 010 nuclear build core ' A' A ' 98' ' ' LYS . . . . . . . . . . . . . 35.8 mmtp . . . . . 0 CA--C 1.529 0.154 0 N-CA-C 111.955 0.354 . . . . 0.0 111.955 . . . . . . . . . 0 0 . 1 . 010 nuclear build core ' A' A ' 99' ' ' ARG . . . . . . . . . . . . . 39.1 ptt180 -141.6 169.57 17.35 Favored 'General case' 0 N--CA 1.454 -0.263 0 C-N-CA 123.66 0.784 . . . . 0.0 110.66 -178.865 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 57.9 m -70.33 -12.42 61.57 Favored 'General case' 0 N--CA 1.456 -0.15 0 C-N-CA 122.579 0.351 . . . . 0.0 111.497 178.249 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 101' ' ' ALA . . . . . . . . . . . . . . . 52.7 12.0 0.23 Allowed 'General case' 0 CA--C 1.533 0.307 0 C-N-CA 124.683 1.193 . . . . 0.0 113.08 -175.66 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -146.92 8.42 0.96 Allowed 'General case' 0 CA--C 1.533 0.289 0 C-N-CA 123.679 0.792 . . . . 0.0 111.195 -179.151 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 12.0 pt-20 -78.17 -1.92 35.07 Favored 'General case' 0 CA--C 1.53 0.199 0 C-N-CA 123.234 0.614 . . . . 0.0 112.229 -177.228 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 104' ' ' MET . . . . . . . . . . . . . 24.7 ptp -125.81 8.49 7.51 Favored 'General case' 0 N--CA 1.453 -0.307 0 C-N-CA 123.372 0.669 . . . . 0.0 112.267 -178.65 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 105' ' ' TYR . . . . . . . . . . . . . 35.6 m-85 -126.06 -7.03 6.59 Favored 'General case' 0 CA--C 1.53 0.193 0 C-N-CA 122.961 0.504 . . . . 0.0 111.095 178.94 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 106' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.526 0.721 0 N-CA-C 111.267 -0.733 . . . . 0.0 111.267 179.716 . . . . . . . . 0 0 . 1 . 011 nuclear build core ' A' A ' 4' ' ' ASN . . . . . . . . . . . . . 3.0 p-10 . . . . . 0 CA--C 1.53 0.207 0 N-CA-C 111.112 0.042 . . . . 0.0 111.112 . . . . . . . . . 0 0 . 1 . 011 nuclear build core ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 99.2 t -97.22 136.46 27.92 Favored 'Isoleucine or valine' 0 C--O 1.232 0.144 0 C-N-CA 123.101 0.561 . . . . 0.0 111.136 -176.933 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 46.2 p -146.35 3.43 0.89 Allowed 'General case' 0 C--O 1.227 -0.112 0 C-N-CA 123.497 0.719 . . . . 0.0 112.028 -179.744 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 7' ' ' ASN . . . . . . . . . . . . . 62.4 t-20 . . . . . 0 N--CA 1.455 -0.197 0 CA-C-N 119.251 0.932 . . . . 0.0 110.514 -178.33 . . . . . . . . 0 0 . 1 . 011 nuclear build core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 93.6 p . . . . . 0 N--CA 1.456 -0.171 0 N-CA-C 110.469 -0.197 . . . . 0.0 110.469 . . . . . . . . . 0 0 . 1 . 011 nuclear build core ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 30.6 ttp-105 -93.12 150.07 20.78 Favored 'General case' 0 N--CA 1.452 -0.353 0 N-CA-C 109.623 -0.51 . . . . 0.0 109.623 176.315 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 94.5 t -125.82 128.84 72.41 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.435 0 C-N-CA 123.117 0.567 . . . . 0.0 109.567 178.228 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 27.8 t80 -89.03 133.74 34.23 Favored 'General case' 0 N--CA 1.449 -0.49 0 CA-C-N 115.174 -0.921 . . . . 0.0 108.985 175.76 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 63.0 mt -121.09 84.42 0.85 Allowed 'Isoleucine or valine' 0 N--CA 1.454 -0.227 0 N-CA-C 107.823 -1.177 . . . . 0.0 107.823 -179.335 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -83.99 173.76 50.72 Favored Glycine 0 CA--C 1.523 0.555 0 N-CA-C 110.912 -0.875 . . . . 0.0 110.912 178.497 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 58.3 t30 48.73 47.91 20.53 Favored 'General case' 0 CA--C 1.532 0.268 0 C-N-CA 123.433 0.693 . . . . 0.0 110.693 -178.571 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 57.3 tp -99.03 144.85 27.71 Favored 'General case' 0 CA--C 1.531 0.24 0 N-CA-C 109.285 -0.635 . . . . 0.0 109.285 179.842 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 63.6 t30 -68.71 -37.51 79.56 Favored 'General case' 0 CA--C 1.53 0.204 0 O-C-N 122.104 -0.373 . . . . 0.0 111.166 -177.315 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 48.7 p 51.44 8.12 0.05 OUTLIER 'General case' 0 N--CA 1.465 0.29 0 C-N-CA 126.415 1.886 . . . . 0.0 115.237 179.326 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 6.7 mp -101.4 -14.95 17.36 Favored 'General case' 0 CA--C 1.53 0.206 0 C-N-CA 123.439 0.696 . . . . 0.0 111.288 176.668 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 61.8 t -126.78 -23.65 1.71 Allowed 'Isoleucine or valine' 0 C--O 1.231 0.079 0 C-N-CA 122.833 0.453 . . . . 0.0 110.571 179.423 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 61.0 t -103.4 146.06 11.64 Favored 'Isoleucine or valine' 0 N--CA 1.462 0.175 0 N-CA-C 110.146 -0.316 . . . . 0.0 110.146 178.976 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 8.1 mptt -135.28 171.62 14.17 Favored 'General case' 0 C--N 1.338 0.098 0 C-N-CA 123.449 0.7 . . . . 0.0 110.297 -178.678 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 10.5 ptmt -67.07 -4.39 9.83 Favored 'General case' 0 CA--C 1.528 0.113 0 C-N-CA 123.926 0.891 . . . . 0.0 112.255 -179.95 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 60.3 p -97.21 -11.95 23.6 Favored 'General case' 0 CA--C 1.528 0.118 0 C-N-CA 123.728 0.811 . . . . 0.0 111.081 174.616 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 42.9 m-20 -103.1 -34.41 8.88 Favored 'General case' 0 N--CA 1.453 -0.294 0 C-N-CA 124.298 1.039 . . . . 0.0 111.227 179.7 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 90.5 t -65.38 -31.27 53.13 Favored 'Isoleucine or valine' 0 N--CA 1.456 -0.161 0 N-CA-C 109.325 -0.62 . . . . 0.0 109.325 -179.926 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 25.2 pt-20 -78.54 7.32 6.91 Favored 'General case' 0 CA--C 1.531 0.212 0 N-CA-C 111.89 0.33 . . . . 0.0 111.89 177.656 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -126.34 -7.33 6.42 Favored 'General case' 0 N--CA 1.454 -0.234 0 C-N-CA 123.045 0.538 . . . . 0.0 110.963 176.565 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 76.8 mt -108.58 -26.31 3.3 Favored 'Isoleucine or valine' 0 C--N 1.339 0.128 0 C-N-CA 123.221 0.608 . . . . 0.0 110.793 178.406 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 37' ' ' PHE . . . . . . . . . . . . . 60.9 m-85 -104.86 -8.4 18.72 Favored 'General case' 0 N--CA 1.454 -0.256 0 C-N-CA 122.449 0.299 . . . . 0.0 110.726 -179.858 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 73.4 p -72.57 -14.06 61.54 Favored 'General case' 0 CA--C 1.527 0.063 0 C-N-CA 122.562 0.345 . . . . 0.0 111.298 -179.025 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 13.4 ptmm? -80.94 -11.71 59.52 Favored 'General case' 0 CA--C 1.531 0.238 0 C-N-CA 123.567 0.747 . . . . 0.0 112.343 179.253 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 40' ' ' TYR . . . . . . . . . . . . . 65.9 m-85 -107.22 -16.05 14.5 Favored 'General case' 0 C--N 1.338 0.106 0 C-N-CA 122.172 0.189 . . . . 0.0 111.33 178.721 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -174.9 160.89 30.14 Favored Glycine 0 C--N 1.336 0.53 0 N-CA-C 111.966 -0.454 . . . . 0.0 111.966 175.45 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 77.1 tttt -71.44 115.12 10.24 Favored 'General case' 0 N--CA 1.45 -0.452 0 N-CA-C 108.804 -0.813 . . . . 0.0 108.804 177.612 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 43' ' ' ILE . . . . . . . . . . . . . 76.1 mt -84.56 126.71 40.25 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.344 0 N-CA-C 109.856 -0.424 . . . . 0.0 109.856 -178.616 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 33.9 m -104.05 -7.08 9.54 Favored 'Isoleucine or valine' 0 N--CA 1.458 -0.054 0 C-N-CA 123.191 0.596 . . . . 0.0 110.9 178.701 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . -172.92 147.5 9.77 Favored Glycine 0 C--N 1.335 0.514 0 N-CA-C 110.191 -1.164 . . . . 0.0 110.191 177.422 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 46' ' ' CYS . . . . . . . . . . . . . 51.7 t -151.9 146.26 25.51 Favored 'General case' 0 N--CA 1.45 -0.438 0 O-C-N 122.418 -0.46 . . . . 0.0 110.108 -179.64 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 22.7 t -153.5 149.35 27.62 Favored 'General case' 0 N--CA 1.451 -0.392 0 N-CA-C 109.806 -0.442 . . . . 0.0 109.806 176.39 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 48' ' ' VAL . . . . . . . . . . . . . 91.6 t -124.21 146.66 29.35 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.26 0 N-CA-C 109.006 -0.738 . . . . 0.0 109.006 178.119 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 49' ' ' HIS . . . . . . . . . . . . . 50.7 m80 -131.77 -166.2 1.69 Allowed 'General case' 0 N--CA 1.452 -0.373 0 N-CA-C 108.014 -1.106 . . . . 0.0 108.014 -176.383 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 65.4 mttp -88.64 118.17 28.12 Favored 'General case' 0 N--CA 1.455 -0.224 0 N-CA-C 109.661 -0.496 . . . . 0.0 109.661 176.433 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 80.79 -7.8 57.83 Favored Glycine 0 CA--C 1.528 0.897 0 CA-C-O 119.094 -0.837 . . . . 0.0 113.9 178.283 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 52.0 p90 -154.15 170.22 21.7 Favored 'General case' 0 CA--C 1.531 0.231 0 CA-C-N 118.925 1.363 . . . . 0.0 111.375 179.076 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -149.13 172.58 14.56 Favored 'General case' 0 N--CA 1.453 -0.276 0 C-N-CA 123.556 0.743 . . . . 0.0 110.37 177.474 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 54' ' ' PHE . . . . . . . . . . . . . 11.5 m-85 -140.06 145.3 37.51 Favored 'General case' 0 N--CA 1.455 -0.211 0 C-N-CA 123.529 0.731 . . . . 0.0 110.456 179.617 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 96.2 t -136.43 138.23 46.99 Favored 'Isoleucine or valine' 0 CA--C 1.519 -0.237 0 C-N-CA 123.759 0.823 . . . . 0.0 108.787 178.622 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 56' ' ' GLN . . . . . . . . . . . . . 58.3 tp60 -117.79 130.51 56.33 Favored 'General case' 0 N--CA 1.453 -0.283 0 N-CA-C 109.576 -0.527 . . . . 0.0 109.576 -176.747 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 57' ' ' TYR . . . . . . . . . . . . . 42.8 m-85 -111.75 178.4 4.33 Favored 'General case' 0 N--CA 1.457 -0.123 0 C-N-CA 123.196 0.598 . . . . 0.0 110.687 178.855 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 58' ' ' VAL . . . . . . . . . . . . . 73.3 t -74.8 -31.51 26.33 Favored 'Isoleucine or valine' 0 N--CA 1.456 -0.149 0 CA-C-N 116.479 -0.328 . . . . 0.0 110.643 178.537 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 59' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -154.82 170.59 21.3 Favored 'General case' 0 CA--C 1.53 0.203 0 N-CA-C 112.411 0.523 . . . . 0.0 112.411 178.528 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 71.0 tt0 -60.9 -29.68 69.73 Favored 'General case' 0 CA--C 1.529 0.167 0 C-N-CA 123.021 0.528 . . . . 0.0 111.975 -177.366 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 20.3 tpp85 -60.17 -38.14 82.32 Favored 'General case' 0 C--N 1.339 0.14 0 CA-C-N 118.868 0.758 . . . . 0.0 110.082 -179.873 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 62' ' ' ASN . . . . . . . . . . . . . 19.5 m120 -71.41 -25.81 62.5 Favored 'General case' 0 N--CA 1.45 -0.45 0 O-C-N 122.11 -0.369 . . . . 0.0 110.789 179.113 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -76.28 -36.41 58.42 Favored 'General case' 0 N--CA 1.45 -0.431 0 N-CA-C 110.127 -0.323 . . . . 0.0 110.127 178.521 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 64' ' ' ARG . . . . . . . . . . . . . 28.5 mmt180 -66.86 -28.75 68.59 Favored 'General case' 0 C--O 1.227 -0.088 0 N-CA-C 110.253 -0.277 . . . . 0.0 110.253 177.838 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -78.37 -33.24 49.05 Favored 'General case' 0 N--CA 1.453 -0.278 0 O-C-N 122.525 -0.11 . . . . 0.0 110.899 -178.818 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -83.41 -34.94 25.39 Favored 'General case' 0 N--CA 1.454 -0.226 0 O-C-N 122.226 -0.296 . . . . 0.0 111.635 179.908 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 67' ' ' VAL . . . . . . . . . . . . . 53.0 t -65.25 -32.51 58.58 Favored 'Isoleucine or valine' 0 C--O 1.227 -0.105 0 N-CA-C 109.774 -0.454 . . . . 0.0 109.774 175.631 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -92.91 -10.38 36.74 Favored 'General case' 0 N--CA 1.453 -0.289 0 N-CA-C 112.277 0.473 . . . . 0.0 112.277 178.13 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . -101.86 -13.58 31.54 Favored Glycine 0 CA--C 1.532 1.094 0 CA-C-O 119.346 -0.697 . . . . 0.0 113.738 -177.485 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 47.5 mm-40 -133.79 -19.58 2.05 Favored 'General case' 0 CA--C 1.53 0.177 0 CA-C-N 118.666 1.233 . . . . 0.0 112.597 -174.275 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 20.6 t70 -61.49 118.16 6.64 Favored 'General case' 0 N--CA 1.453 -0.312 0 O-C-N 121.181 -0.949 . . . . 0.0 110.113 178.305 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . 86.78 10.83 71.9 Favored Glycine 0 C--N 1.336 0.533 0 N-CA-C 110.957 -0.857 . . . . 0.0 110.957 178.97 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 73' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -75.93 169.8 17.47 Favored 'General case' 0 N--CA 1.45 -0.465 0 N-CA-C 106.276 -1.75 . . . . 0.0 106.276 171.266 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 74' ' ' MET . . . . . . . . . . . . . 33.2 ttm -114.92 120.75 40.99 Favored 'General case' 0 N--CA 1.45 -0.464 0 N-CA-C 109.403 -0.591 . . . . 0.0 109.403 -177.276 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 75' ' ' ILE . . . . . . . . . . . . . 0.2 OUTLIER -128.49 136.03 61.01 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.277 0 N-CA-C 109.645 -0.502 . . . . 0.0 109.645 179.453 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . 54.47 17.78 1.72 Allowed 'General case' 0 CA--C 1.533 0.318 0 C-N-CA 123.129 0.572 . . . . 0.0 112.185 -174.024 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 88.88 4.31 75.57 Favored Glycine 0 CA--C 1.527 0.79 0 CA-C-O 119.816 -0.436 . . . . 0.0 112.232 -179.009 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 78' ' ' GLN . . . . . . . . . . . . . 1.0 OUTLIER -123.98 131.59 53.59 Favored 'General case' 0 N--CA 1.452 -0.331 0 CA-C-N 117.694 0.747 . . . . 0.0 110.418 -179.357 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 79' ' ' VAL . . . . . . . . . . . . . 48.5 t -63.93 141.41 18.21 Favored 'Isoleucine or valine' 0 C--O 1.23 0.042 0 C-N-CA 124.038 0.935 . . . . 0.0 110.462 -178.901 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 29.5 mt -95.68 156.35 16.36 Favored 'General case' 0 N--CA 1.454 -0.268 0 CA-C-O 120.926 0.394 . . . . 0.0 111.587 177.143 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 81' ' ' ASP . . . . . . . . . . . . . 4.3 m-20 -123.4 98.24 5.77 Favored 'General case' 0 N--CA 1.456 -0.139 0 N-CA-C 107.875 -1.157 . . . . 0.0 107.875 176.497 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 82' ' ' ILE . . . . . . . . . . . . . 64.6 mt -113.69 139.76 37.55 Favored 'Isoleucine or valine' 0 CA--C 1.53 0.177 0 C-N-CA 123.087 0.555 . . . . 0.0 110.556 -170.056 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 83' ' ' ASN . . . . . . . . . . . . . 11.2 t30 -157.66 165.67 34.85 Favored 'General case' 0 N--CA 1.456 -0.139 0 C-N-CA 123.329 0.652 . . . . 0.0 109.541 -175.991 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 84' ' ' LEU . . . . . . . . . . . . . 97.7 mt -63.02 151.5 39.61 Favored 'General case' 0 N--CA 1.456 -0.163 0 N-CA-C 109.436 -0.579 . . . . 0.0 109.436 173.208 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.533 0.312 0 N-CA-C 113.037 0.754 . . . . 0.0 113.037 -178.375 . . . . . . . . 0 0 . 1 . 011 nuclear build core ' A' A ' 98' ' ' LYS . . . . . . . . . . . . . 74.5 mmtt . . . . . 0 CA--C 1.53 0.188 0 N-CA-C 111.499 0.185 . . . . 0.0 111.499 . . . . . . . . . 0 0 . 1 . 011 nuclear build core ' A' A ' 99' ' ' ARG . . . . . . . . . . . . . 90.1 mtt180 -113.96 173.12 6.59 Favored 'General case' 0 N--CA 1.457 -0.124 0 C-N-CA 124.023 0.929 . . . . 0.0 111.061 -179.474 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 6.3 t -67.17 -11.89 58.55 Favored 'General case' 0 N--CA 1.454 -0.263 0 C-N-CA 123.493 0.717 . . . . 0.0 111.754 -178.004 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 101' ' ' ALA . . . . . . . . . . . . . . . 56.86 10.01 0.69 Allowed 'General case' 0 CA--C 1.534 0.347 0 C-N-CA 124.363 1.065 . . . . 0.0 112.53 -174.654 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -146.22 3.82 0.92 Allowed 'General case' 0 CA--C 1.532 0.255 0 C-N-CA 123.8 0.84 . . . . 0.0 111.293 178.496 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 12.8 pt-20 -83.68 -3.71 57.99 Favored 'General case' 0 C--N 1.34 0.186 0 C-N-CA 122.622 0.369 . . . . 0.0 111.563 -177.907 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 104' ' ' MET . . . . . . . . . . . . . 73.9 mtm -110.84 9.66 22.49 Favored 'General case' 0 CA--C 1.531 0.238 0 C-N-CA 123.836 0.855 . . . . 0.0 111.481 -178.744 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 105' ' ' TYR . . . . . . . . . . . . . 65.0 m-85 -127.66 3.93 6.12 Favored 'General case' 0 C--O 1.232 0.134 0 C-N-CA 122.84 0.456 . . . . 0.0 111.461 -177.598 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 106' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--N 1.338 0.682 0 N-CA-C 111.253 -0.739 . . . . 0.0 111.253 179.885 . . . . . . . . 0 0 . 1 . 012 nuclear build core ' A' A ' 4' ' ' ASN . . . . . . . . . . . . . 61.9 t30 . . . . . 0 CA--C 1.533 0.323 0 CA-C-O 120.546 0.213 . . . . 0.0 111.279 . . . . . . . . . 0 0 . 1 . 012 nuclear build core ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 97.0 t -93.71 134.3 31.85 Favored 'Isoleucine or valine' 0 N--CA 1.456 -0.16 0 O-C-N 122.115 -0.365 . . . . 0.0 111.489 -175.5 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 72.2 p -150.84 6.02 0.51 Allowed 'General case' 0 CA--C 1.533 0.322 0 C-N-CA 123.64 0.776 . . . . 0.0 111.959 -177.43 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 7' ' ' ASN . . . . . . . . . . . . . 42.2 p30 . . . . . 0 C--O 1.231 0.116 0 N-CA-C 114.087 1.143 . . . . 0.0 114.087 -173.216 . . . . . . . . 0 0 . 1 . 012 nuclear build core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 86.9 p . . . . . 0 N--CA 1.454 -0.239 0 N-CA-C 110.663 -0.125 . . . . 0.0 110.663 . . . . . . . . . 0 0 . 1 . 012 nuclear build core ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 30.3 ttp-105 -95.97 150.31 20.6 Favored 'General case' 0 N--CA 1.455 -0.196 0 C-N-CA 123.152 0.581 . . . . 0.0 109.852 175.48 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 64.7 t -124.87 129.24 73.54 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.438 0 C-N-CA 123.119 0.567 . . . . 0.0 109.763 178.388 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 29.0 t80 -90.11 132.61 35.34 Favored 'General case' 0 N--CA 1.449 -0.482 0 N-CA-C 108.914 -0.772 . . . . 0.0 108.914 174.806 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 58.1 mt -120.84 83.46 0.79 Allowed 'Isoleucine or valine' 0 CA--C 1.52 -0.183 0 N-CA-C 107.667 -1.234 . . . . 0.0 107.667 -179.521 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -84.24 176.48 51.61 Favored Glycine 0 N--CA 1.448 -0.557 0 N-CA-C 110.423 -1.071 . . . . 0.0 110.423 178.165 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 49.1 t30 48.9 50.54 17.51 Favored 'General case' 0 N--CA 1.453 -0.323 0 N-CA-C 110.039 -0.356 . . . . 0.0 110.039 -177.692 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 50.0 tp -102.05 143.3 32.06 Favored 'General case' 0 N--CA 1.454 -0.243 0 N-CA-C 109.851 -0.426 . . . . 0.0 109.851 179.852 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 64.1 t30 -70.77 -37.53 73.36 Favored 'General case' 0 C--N 1.34 0.177 0 CA-C-N 117.742 0.246 . . . . 0.0 111.653 -178.061 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 24.1 p 54.1 -2.66 0.02 OUTLIER 'General case' 0 N--CA 1.468 0.425 0 C-N-CA 127.22 2.208 . . . . 0.0 115.472 179.898 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 7.3 mp -90.29 -15.99 30.16 Favored 'General case' 0 N--CA 1.453 -0.292 0 C-N-CA 123.143 0.577 . . . . 0.0 111.492 177.996 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 57.1 t -127.36 -17.66 2.64 Favored 'Isoleucine or valine' 0 CA--C 1.53 0.177 0 C-N-CA 122.667 0.387 . . . . 0.0 110.567 179.194 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 49.8 t -115.3 132.22 65.27 Favored 'Isoleucine or valine' 0 CA--C 1.521 -0.152 0 C-N-CA 122.2 0.2 . . . . 0.0 110.679 178.67 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 73.9 mmtt -123.08 176.72 5.89 Favored 'General case' 0 CA--C 1.52 -0.21 0 C-N-CA 124.018 0.927 . . . . 0.0 110.99 -176.564 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 5.3 ptmm? -69.89 -6.0 29.78 Favored 'General case' 0 N--CA 1.461 0.108 0 CA-C-N 115.207 -0.906 . . . . 0.0 111.866 -179.703 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 39.1 m -101.51 1.0 37.61 Favored 'General case' 0 N--CA 1.455 -0.176 0 C-N-CA 123.856 0.862 . . . . 0.0 110.382 174.67 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 20.8 m-20 -116.6 -32.51 5.17 Favored 'General case' 0 N--CA 1.449 -0.484 0 C-N-CA 123.769 0.828 . . . . 0.0 110.548 179.607 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 70.7 t -64.93 -31.8 55.47 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.195 0 N-CA-C 108.832 -0.803 . . . . 0.0 108.832 177.753 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 25.6 pt-20 -79.66 9.89 4.59 Favored 'General case' 0 CA--C 1.531 0.225 0 N-CA-C 111.858 0.318 . . . . 0.0 111.858 178.063 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -128.06 -7.92 5.42 Favored 'General case' 0 CA--C 1.531 0.239 0 C-N-CA 123.574 0.75 . . . . 0.0 110.891 176.406 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 75.2 mt -109.38 -26.15 3.33 Favored 'Isoleucine or valine' 0 C--N 1.338 0.107 0 C-N-CA 123.236 0.614 . . . . 0.0 110.332 178.642 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 37' ' ' PHE . . . . . . . . . . . . . 59.9 m-85 -104.1 -8.01 19.8 Favored 'General case' 0 N--CA 1.452 -0.34 0 C-N-CA 122.597 0.359 . . . . 0.0 110.865 179.661 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 67.6 p -73.12 -14.71 61.43 Favored 'General case' 0 C--O 1.231 0.113 0 C-N-CA 122.577 0.351 . . . . 0.0 111.462 -179.281 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 13.3 ptmm? -80.08 -11.71 59.74 Favored 'General case' 0 CA--C 1.528 0.12 0 C-N-CA 123.294 0.637 . . . . 0.0 112.231 179.058 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 40' ' ' TYR . . . . . . . . . . . . . 64.5 m-85 -106.98 -16.0 14.55 Favored 'General case' 0 C--O 1.231 0.081 0 C-N-CA 122.564 0.346 . . . . 0.0 111.725 178.447 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -175.26 162.75 32.46 Favored Glycine 0 CA--C 1.525 0.701 0 N-CA-C 112.111 -0.395 . . . . 0.0 112.111 175.073 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 77.1 tttt -73.16 114.5 11.41 Favored 'General case' 0 N--CA 1.454 -0.262 0 N-CA-C 108.832 -0.803 . . . . 0.0 108.832 177.373 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 43' ' ' ILE . . . . . . . . . . . . . 76.1 mt -83.88 127.97 39.27 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.192 0 N-CA-C 109.577 -0.527 . . . . 0.0 109.577 -178.651 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 33.4 m -106.56 -5.41 10.13 Favored 'Isoleucine or valine' 0 C--O 1.232 0.154 0 C-N-CA 123.215 0.606 . . . . 0.0 110.684 178.759 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . -170.51 146.23 9.64 Favored Glycine 0 C--N 1.337 0.617 0 N-CA-C 110.019 -1.232 . . . . 0.0 110.019 176.995 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 46' ' ' CYS . . . . . . . . . . . . . 43.3 t -149.7 143.36 25.42 Favored 'General case' 0 N--CA 1.451 -0.386 0 CA-C-N 117.133 0.466 . . . . 0.0 109.759 -179.706 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 96.2 p -151.13 148.17 27.95 Favored 'General case' 0 N--CA 1.45 -0.469 0 N-CA-C 109.902 -0.407 . . . . 0.0 109.902 177.441 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 48' ' ' VAL . . . . . . . . . . . . . 87.5 t -125.15 147.05 29.88 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.241 0 N-CA-C 109.165 -0.68 . . . . 0.0 109.165 175.623 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 49' ' ' HIS . . . . . . . . . . . . . 46.5 m-70 -135.34 -170.53 2.61 Favored 'General case' 0 N--CA 1.452 -0.329 0 N-CA-C 108.107 -1.072 . . . . 0.0 108.107 -176.441 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 50' ' ' LYS . . . . . 0.524 ' HD2' ' H ' ' A' ' 50' ' ' LYS . 0.0 OUTLIER -83.12 120.41 25.73 Favored 'General case' 0 N--CA 1.454 -0.252 0 O-C-N 121.822 -0.549 . . . . 0.0 110.005 177.475 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 77.44 -8.75 31.8 Favored Glycine 0 CA--C 1.531 1.052 0 CA-C-O 119.235 -0.758 . . . . 0.0 113.685 177.766 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 55.6 p90 -150.96 167.43 27.62 Favored 'General case' 0 CA--C 1.528 0.121 0 CA-C-N 119.001 1.401 . . . . 0.0 111.438 179.344 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -146.27 171.42 14.99 Favored 'General case' 0 CA--C 1.53 0.193 0 C-N-CA 123.65 0.78 . . . . 0.0 110.286 175.911 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 54' ' ' PHE . . . . . . . . . . . . . 15.0 m-85 -138.71 144.82 39.71 Favored 'General case' 0 N--CA 1.455 -0.212 0 C-N-CA 123.434 0.694 . . . . 0.0 110.586 179.725 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 97.5 t -135.72 136.73 50.07 Favored 'Isoleucine or valine' 0 CA--C 1.518 -0.25 0 C-N-CA 123.644 0.778 . . . . 0.0 109.11 178.664 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 56' ' ' GLN . . . . . . . . . . . . . 59.3 tp60 -116.42 129.98 56.52 Favored 'General case' 0 N--CA 1.451 -0.396 0 C-N-CA 122.822 0.449 . . . . 0.0 109.884 -176.739 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 57' ' ' TYR . . . . . . . . . . . . . 48.0 m-85 -111.62 175.96 5.21 Favored 'General case' 0 C--O 1.232 0.143 0 C-N-CA 122.963 0.505 . . . . 0.0 110.882 178.887 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 58' ' ' VAL . . . . . . . . . . . . . 77.6 t -73.08 -30.41 31.6 Favored 'Isoleucine or valine' 0 CA--C 1.529 0.16 0 CA-C-N 116.026 -0.534 . . . . 0.0 110.309 178.797 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 59' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -157.19 169.35 24.97 Favored 'General case' 0 N--CA 1.456 -0.141 0 N-CA-C 112.202 0.445 . . . . 0.0 112.202 178.053 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 66.4 tt0 -59.64 -29.89 68.34 Favored 'General case' 0 N--CA 1.457 -0.106 0 C-N-CA 123.579 0.752 . . . . 0.0 112.438 -177.902 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 25.5 tpt180 -59.12 -40.13 84.46 Favored 'General case' 0 C--N 1.339 0.131 0 CA-C-N 118.957 0.798 . . . . 0.0 110.101 179.729 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 62' ' ' ASN . . . . . . . . . . . . . 17.6 m120 -71.88 -25.5 61.96 Favored 'General case' 0 N--CA 1.449 -0.481 0 O-C-N 122.145 -0.347 . . . . 0.0 110.861 -179.891 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 63' ' ' ALA . . . . . 0.46 ' HB1' ' CD2' ' A' ' 84' ' ' LEU . . . -78.33 -36.3 46.5 Favored 'General case' 0 N--CA 1.454 -0.252 0 N-CA-C 110.379 -0.23 . . . . 0.0 110.379 179.08 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 64' ' ' ARG . . . . . . . . . . . . . 41.0 mmt180 -67.68 -26.84 66.39 Favored 'General case' 0 CA--C 1.523 -0.065 0 C-N-CA 122.518 0.327 . . . . 0.0 110.175 176.907 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -79.19 -33.12 44.19 Favored 'General case' 0 N--CA 1.452 -0.342 0 N-CA-C 110.719 -0.104 . . . . 0.0 110.719 -179.738 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -81.78 -34.78 30.19 Favored 'General case' 0 N--CA 1.451 -0.405 0 CA-C-N 117.765 0.257 . . . . 0.0 111.509 179.46 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 67' ' ' VAL . . . . . . . . . . . . . 47.7 t -64.84 -34.59 71.27 Favored 'Isoleucine or valine' 0 CA--C 1.524 -0.037 0 O-C-N 122.012 -0.43 . . . . 0.0 109.927 175.59 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -90.42 -10.58 43.3 Favored 'General case' 0 CA--C 1.53 0.179 0 N-CA-C 112.015 0.376 . . . . 0.0 112.015 178.94 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . -101.74 -14.4 29.61 Favored Glycine 0 CA--C 1.528 0.897 0 CA-C-O 119.113 -0.826 . . . . 0.0 113.646 -177.313 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 43.3 mm-40 -133.66 -19.82 2.07 Favored 'General case' 0 C--N 1.34 0.154 0 CA-C-N 118.601 1.201 . . . . 0.0 112.772 -173.6 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 22.7 t70 -61.67 118.7 7.44 Favored 'General case' 0 N--CA 1.456 -0.166 0 CA-C-N 119.187 0.903 . . . . 0.0 109.553 178.507 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . 86.08 10.8 74.29 Favored Glycine 0 C--N 1.336 0.544 0 N-CA-C 110.93 -0.868 . . . . 0.0 110.93 179.066 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 73' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -76.09 169.09 18.84 Favored 'General case' 0 N--CA 1.449 -0.499 0 N-CA-C 106.525 -1.658 . . . . 0.0 106.525 171.136 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 74' ' ' MET . . . . . . . . . . . . . 34.2 ttm -114.75 120.48 40.21 Favored 'General case' 0 N--CA 1.447 -0.576 0 N-CA-C 109.16 -0.682 . . . . 0.0 109.16 -177.253 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 75' ' ' ILE . . . . . . . . . . . . . 0.2 OUTLIER -127.23 134.92 64.86 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.419 0 N-CA-C 109.396 -0.594 . . . . 0.0 109.396 179.715 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . 54.45 18.09 1.82 Allowed 'General case' 0 CA--C 1.532 0.262 0 C-N-CA 123.389 0.676 . . . . 0.0 112.152 -174.748 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 89.88 4.2 72.68 Favored Glycine 0 CA--C 1.527 0.833 0 CA-C-O 119.811 -0.438 . . . . 0.0 112.359 -179.294 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 78' ' ' GLN . . . . . . . . . . . . . 1.0 OUTLIER -124.28 130.21 52.12 Favored 'General case' 0 N--CA 1.451 -0.399 0 CA-C-N 117.671 0.735 . . . . 0.0 110.086 -178.847 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 79' ' ' VAL . . . . . . . . . . . . . 46.0 t -63.19 141.51 18.03 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.176 0 C-N-CA 124.232 1.013 . . . . 0.0 110.409 -179.126 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 32.3 mt -96.6 156.23 16.43 Favored 'General case' 0 C--N 1.335 -0.065 0 CA-C-O 120.952 0.406 . . . . 0.0 111.192 177.257 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 81' ' ' ASP . . . . . . . . . . . . . 12.0 m-20 -122.1 106.18 10.94 Favored 'General case' 0 N--CA 1.455 -0.192 0 N-CA-C 107.679 -1.23 . . . . 0.0 107.679 174.128 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 82' ' ' ILE . . . . . . . . . . . . . 62.1 mt -121.54 137.65 54.48 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.175 0 C-N-CA 122.967 0.507 . . . . 0.0 110.921 -170.9 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 83' ' ' ASN . . . . . . . . . . . . . 2.3 p-10 -158.17 167.1 30.75 Favored 'General case' 0 CA--C 1.531 0.234 0 C-N-CA 124.279 1.032 . . . . 0.0 109.068 179.307 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 84' ' ' LEU . . . . . 0.46 ' CD2' ' HB1' ' A' ' 63' ' ' ALA . 49.8 mt -64.16 151.84 42.26 Favored 'General case' 0 CA--C 1.519 -0.229 0 O-C-N 121.857 -0.527 . . . . 0.0 109.847 176.816 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.532 0.283 0 CA-C-N 116.46 -0.336 . . . . 0.0 111.86 -179.379 . . . . . . . . 0 0 . 1 . 012 nuclear build core ' A' A ' 98' ' ' LYS . . . . . . . . . . . . . 91.0 mttt . . . . . 0 CA--C 1.531 0.228 0 CA-C-O 120.42 0.153 . . . . 0.0 110.746 . . . . . . . . . 0 0 . 1 . 012 nuclear build core ' A' A ' 99' ' ' ARG . . . . . . . . . . . . . 18.9 tpt180 -104.54 174.52 5.84 Favored 'General case' 0 CA--C 1.529 0.165 0 C-N-CA 124.412 1.085 . . . . 0.0 109.37 -179.234 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 67.8 m -61.72 -16.82 52.5 Favored 'General case' 0 CA--C 1.528 0.121 0 N-CA-C 112.334 0.494 . . . . 0.0 112.334 177.444 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 101' ' ' ALA . . . . . . . . . . . . . . . 52.5 16.16 0.59 Allowed 'General case' 0 CA--C 1.536 0.409 0 C-N-CA 124.148 0.979 . . . . 0.0 112.382 -176.62 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -147.97 14.25 1.03 Allowed 'General case' 0 N--CA 1.451 -0.389 0 C-N-CA 123.358 0.663 . . . . 0.0 111.261 -179.058 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 20.4 pt-20 -70.16 -2.08 12.03 Favored 'General case' 0 CA--C 1.531 0.227 0 N-CA-C 112.599 0.592 . . . . 0.0 112.599 -177.133 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 104' ' ' MET . . . . . . . . . . . . . 75.3 mtm -110.33 6.5 22.44 Favored 'General case' 0 CA--C 1.531 0.227 0 C-N-CA 123.806 0.842 . . . . 0.0 111.545 178.342 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 105' ' ' TYR . . . . . . . . . . . . . 48.8 m-85 -134.68 2.15 3.15 Favored 'General case' 0 CA--C 1.529 0.148 0 C-N-CA 122.795 0.438 . . . . 0.0 111.651 -177.778 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 106' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--N 1.337 0.619 0 N-CA-C 110.827 -0.909 . . . . 0.0 110.827 -179.604 . . . . . . . . 0 0 . 1 . 013 nuclear build core ' A' A ' 4' ' ' ASN . . . . . . . . . . . . . 2.7 p-10 . . . . . 0 CA--C 1.529 0.149 0 CA-C-O 119.872 -0.108 . . . . 0.0 111.268 . . . . . . . . . 0 0 . 1 . 013 nuclear build core ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 91.0 t -95.51 133.01 38.09 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.213 0 C-N-CA 122.884 0.474 . . . . 0.0 110.816 -177.566 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 62.3 p -146.69 10.74 1.08 Allowed 'General case' 0 CA--C 1.53 0.205 0 C-N-CA 123.485 0.714 . . . . 0.0 112.165 179.816 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 7' ' ' ASN . . . . . . . . . . . . . 63.2 t-20 . . . . . 0 CA--C 1.53 0.199 0 CA-C-N 119.193 0.906 . . . . 0.0 111.793 -179.032 . . . . . . . . 0 0 . 1 . 013 nuclear build core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 15.6 m . . . . . 0 CA--C 1.531 0.222 0 N-CA-C 110.669 -0.122 . . . . 0.0 110.669 . . . . . . . . . 0 0 . 1 . 013 nuclear build core ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 36.6 ttm180 -113.32 156.64 23.01 Favored 'General case' 0 CA--C 1.523 -0.085 0 C-N-CA 124.708 1.203 . . . . 0.0 110.115 -175.77 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 64.8 t -130.27 134.09 63.05 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.176 0 CA-C-O 120.791 0.329 . . . . 0.0 110.309 177.022 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 22.3 t80 -94.19 131.72 39.47 Favored 'General case' 0 N--CA 1.451 -0.378 0 C-N-CA 123.878 0.871 . . . . 0.0 108.917 175.259 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 60.1 mt -120.09 84.3 0.83 Allowed 'Isoleucine or valine' 0 CA--C 1.521 -0.16 0 N-CA-C 108.002 -1.11 . . . . 0.0 108.002 -179.592 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -82.69 172.05 51.65 Favored Glycine 0 CA--C 1.524 0.644 0 N-CA-C 111.107 -0.797 . . . . 0.0 111.107 178.774 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 53.8 t30 49.55 49.39 20.02 Favored 'General case' 0 CA--C 1.533 0.311 0 C-N-CA 123.202 0.601 . . . . 0.0 111.237 -179.617 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 53.2 tp -98.55 144.87 27.4 Favored 'General case' 0 N--CA 1.455 -0.188 0 C-N-CA 123.121 0.568 . . . . 0.0 110.171 179.524 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 65.3 t30 -70.07 -39.81 75.4 Favored 'General case' 0 N--CA 1.457 -0.113 0 O-C-N 122.168 -0.332 . . . . 0.0 111.418 -177.963 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 18.2 p 56.46 -1.79 0.04 OUTLIER 'General case' 0 CA--C 1.532 0.265 0 C-N-CA 126.89 2.076 . . . . 0.0 115.389 -179.941 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 7.9 mp -90.78 -16.84 27.67 Favored 'General case' 0 CA--C 1.53 0.184 0 C-N-CA 123.019 0.527 . . . . 0.0 111.274 177.628 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 56.6 t -127.29 -17.89 2.62 Favored 'Isoleucine or valine' 0 CA--C 1.53 0.197 0 C-N-CA 122.754 0.422 . . . . 0.0 110.649 179.822 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 55.0 t -115.02 131.5 67.07 Favored 'Isoleucine or valine' 0 C--N 1.341 0.213 0 O-C-N 122.277 -0.264 . . . . 0.0 110.842 178.589 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 73.5 mmtt -122.64 177.76 5.3 Favored 'General case' 0 CA--C 1.522 -0.1 0 C-N-CA 123.934 0.894 . . . . 0.0 110.699 -177.536 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 10.9 ptmt -71.05 -5.64 32.89 Favored 'General case' 0 C--N 1.333 -0.11 0 C-N-CA 123.833 0.853 . . . . 0.0 112.026 -179.801 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 46.2 m -100.9 0.79 39.09 Favored 'General case' 0 C--N 1.333 -0.15 0 C-N-CA 123.967 0.907 . . . . 0.0 110.498 173.833 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 28.4 m-20 -116.26 -33.42 4.99 Favored 'General case' 0 N--CA 1.452 -0.328 0 C-N-CA 123.866 0.866 . . . . 0.0 110.649 179.69 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 75.6 t -64.69 -31.17 52.59 Favored 'Isoleucine or valine' 0 N--CA 1.456 -0.148 0 N-CA-C 108.95 -0.759 . . . . 0.0 108.95 177.951 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 25.5 pt-20 -79.8 8.09 7.43 Favored 'General case' 0 CA--C 1.532 0.27 0 O-C-N 122.14 -0.35 . . . . 0.0 111.823 178.221 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -126.08 -7.79 6.55 Favored 'General case' 0 N--CA 1.454 -0.227 0 C-N-CA 123.42 0.688 . . . . 0.0 111.025 176.315 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 79.3 mt -108.63 -27.93 2.84 Favored 'Isoleucine or valine' 0 C--N 1.338 0.1 0 C-N-CA 123.062 0.545 . . . . 0.0 110.508 178.607 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 37' ' ' PHE . . . . . . . . . . . . . 58.9 m-85 -102.47 -8.25 21.24 Favored 'General case' 0 N--CA 1.453 -0.29 0 C-N-CA 122.703 0.401 . . . . 0.0 110.933 -179.87 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 66.5 p -72.2 -14.77 61.88 Favored 'General case' 0 C--O 1.23 0.059 0 C-N-CA 122.421 0.288 . . . . 0.0 111.41 -178.758 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 13.2 ptmm? -81.5 -10.39 59.49 Favored 'General case' 0 C--O 1.233 0.2 0 C-N-CA 123.237 0.615 . . . . 0.0 112.189 179.296 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 40' ' ' TYR . . . . . . . . . . . . . 72.1 m-85 -107.09 -14.69 14.86 Favored 'General case' 0 C--O 1.233 0.191 0 C-N-CA 122.728 0.411 . . . . 0.0 111.426 177.914 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -176.37 161.2 29.31 Favored Glycine 0 C--N 1.335 0.516 0 N-CA-C 112.03 -0.428 . . . . 0.0 112.03 174.158 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 78.0 tttt -71.66 114.12 9.42 Favored 'General case' 0 N--CA 1.45 -0.44 0 N-CA-C 108.886 -0.783 . . . . 0.0 108.886 177.34 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 43' ' ' ILE . . . . . . . . . . . . . 72.8 mt -83.3 129.97 36.57 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.344 0 N-CA-C 109.664 -0.495 . . . . 0.0 109.664 -178.199 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 33.5 m -109.61 -6.72 11.2 Favored 'Isoleucine or valine' 0 N--CA 1.457 -0.098 0 C-N-CA 123.223 0.609 . . . . 0.0 110.668 178.753 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . -168.19 145.75 9.9 Favored Glycine 0 C--N 1.338 0.639 0 N-CA-C 109.994 -1.242 . . . . 0.0 109.994 176.946 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 46' ' ' CYS . . . . . . . . . . . . . 49.1 t -150.37 144.46 25.49 Favored 'General case' 0 N--CA 1.453 -0.32 0 N-CA-C 109.864 -0.421 . . . . 0.0 109.864 -179.542 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 22.7 t -153.94 148.22 25.93 Favored 'General case' 0 N--CA 1.453 -0.287 0 N-CA-C 109.986 -0.375 . . . . 0.0 109.986 177.196 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 48' ' ' VAL . . . . . . . . . . . . . 83.6 t -125.45 147.06 30.21 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.264 0 N-CA-C 109.204 -0.665 . . . . 0.0 109.204 177.184 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 49' ' ' HIS . . . . . . . . . . . . . 44.7 m80 -133.41 -166.92 1.84 Allowed 'General case' 0 N--CA 1.45 -0.438 0 N-CA-C 107.915 -1.143 . . . . 0.0 107.915 -177.407 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 29.7 mmmt -89.78 119.32 30.07 Favored 'General case' 0 N--CA 1.457 -0.108 0 O-C-N 121.807 -0.558 . . . . 0.0 110.088 176.402 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 83.04 -12.99 46.99 Favored Glycine 0 CA--C 1.53 0.987 0 C-N-CA 123.718 0.675 . . . . 0.0 113.107 179.059 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 53.7 p90 -149.93 169.04 22.09 Favored 'General case' 0 CA--C 1.527 0.075 0 CA-C-N 118.541 1.171 . . . . 0.0 111.601 179.659 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -148.11 171.05 16.49 Favored 'General case' 0 N--CA 1.456 -0.164 0 C-N-CA 123.964 0.906 . . . . 0.0 109.881 176.458 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 54' ' ' PHE . . . . . . . . . . . . . 13.1 m-85 -139.65 146.93 40.32 Favored 'General case' 0 N--CA 1.451 -0.388 0 C-N-CA 123.364 0.665 . . . . 0.0 110.653 -179.495 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 97.8 t -135.56 146.71 29.41 Favored 'Isoleucine or valine' 0 CA--C 1.518 -0.282 0 N-CA-C 108.756 -0.831 . . . . 0.0 108.756 178.101 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 56' ' ' GLN . . . . . . . . . . . . . 68.3 tp60 -126.24 132.23 51.76 Favored 'General case' 0 N--CA 1.449 -0.477 0 N-CA-C 109.043 -0.725 . . . . 0.0 109.043 -178.776 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 57' ' ' TYR . . . . . . . . . . . . . 42.7 m-85 -114.5 175.45 5.48 Favored 'General case' 0 N--CA 1.454 -0.256 0 C-N-CA 123.577 0.751 . . . . 0.0 110.453 -179.825 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 58' ' ' VAL . . . . . . . . . . . . . 60.2 t -71.04 -30.1 39.77 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.415 0 CA-C-N 115.857 -0.611 . . . . 0.0 110.346 178.493 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 59' ' ' ASN . . . . . . . . . . . . . 0.0 OUTLIER -156.49 165.85 35.11 Favored 'General case' 0 N--CA 1.454 -0.233 0 N-CA-C 112.42 0.526 . . . . 0.0 112.42 178.063 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 82.9 tt0 -57.2 -29.81 64.02 Favored 'General case' 0 CA--C 1.528 0.13 0 C-N-CA 123.935 0.894 . . . . 0.0 112.742 -179.674 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 19.5 tpp180 -60.06 -37.73 80.74 Favored 'General case' 0 CA--C 1.529 0.147 0 CA-C-N 119.398 0.999 . . . . 0.0 109.897 179.811 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 62' ' ' ASN . . . . . . . . . . . . . 18.1 m120 -72.29 -24.74 61.38 Favored 'General case' 0 N--CA 1.45 -0.445 0 C-N-CA 120.738 -0.385 . . . . 0.0 110.956 179.125 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -75.04 -39.04 61.27 Favored 'General case' 0 N--CA 1.455 -0.219 0 N-CA-C 110.161 -0.311 . . . . 0.0 110.161 178.048 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 64' ' ' ARG . . . . . . . . . . . . . 24.1 mmt180 -66.96 -27.85 67.8 Favored 'General case' 0 C--O 1.23 0.05 0 N-CA-C 110.331 -0.248 . . . . 0.0 110.331 178.386 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -77.23 -33.79 56.04 Favored 'General case' 0 N--CA 1.452 -0.352 0 CA-C-N 117.401 0.092 . . . . 0.0 111.084 -179.261 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -83.13 -34.18 26.11 Favored 'General case' 0 N--CA 1.452 -0.35 0 O-C-N 122.237 -0.289 . . . . 0.0 111.626 179.854 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 67' ' ' VAL . . . . . . . . . . . . . 51.2 t -64.62 -33.95 66.59 Favored 'Isoleucine or valine' 0 C--O 1.23 0.054 0 N-CA-C 110.105 -0.332 . . . . 0.0 110.105 175.675 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -93.03 -10.04 37.6 Favored 'General case' 0 N--CA 1.455 -0.202 0 N-CA-C 112.186 0.439 . . . . 0.0 112.186 178.054 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . -101.2 -14.69 30.07 Favored Glycine 0 CA--C 1.529 0.925 0 CA-C-O 119.139 -0.812 . . . . 0.0 113.753 -177.504 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 45.8 mm-40 -131.85 -16.59 2.9 Favored 'General case' 0 N--CA 1.463 0.198 0 CA-C-N 118.775 1.288 . . . . 0.0 112.695 -175.011 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 25.4 t70 -60.73 119.78 8.81 Favored 'General case' 0 N--CA 1.453 -0.283 0 O-C-N 121.067 -1.021 . . . . 0.0 109.998 177.505 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . 78.64 19.28 73.86 Favored Glycine 0 CA--C 1.529 0.949 0 CA-C-O 119.931 -0.371 . . . . 0.0 112.922 177.857 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 73' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -79.97 -20.11 46.3 Favored 'General case' 0 N--CA 1.467 0.375 0 N-CA-C 113.506 0.928 . . . . 0.0 113.506 -175.118 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 74' ' ' MET . . . . . . . . . . . . . 58.1 ttm 73.34 121.51 0.04 OUTLIER 'General case' 0 C--N 1.327 -0.387 0 C-N-CA 127.058 2.143 . . . . 0.0 111.694 177.735 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 75' ' ' ILE . . . . . . . . . . . . . 0.3 OUTLIER -136.73 139.76 44.29 Favored 'Isoleucine or valine' 0 N--CA 1.446 -0.658 0 CA-C-N 115.092 -0.958 . . . . 0.0 109.44 -176.805 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . 55.28 15.53 1.37 Allowed 'General case' 0 CA--C 1.533 0.324 0 N-CA-C 112.407 0.521 . . . . 0.0 112.407 -175.318 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 91.67 4.4 67.74 Favored Glycine 0 CA--C 1.528 0.885 0 CA-C-O 119.684 -0.509 . . . . 0.0 111.879 -179.429 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 78' ' ' GLN . . . . . . . . . . . . . 1.0 OUTLIER -124.92 131.73 53.39 Favored 'General case' 0 N--CA 1.453 -0.28 0 CA-C-N 117.755 0.778 . . . . 0.0 109.866 -179.376 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 79' ' ' VAL . . . . . . . . . . . . . 38.7 t -65.35 139.34 21.52 Favored 'Isoleucine or valine' 0 CA--C 1.523 -0.085 0 C-N-CA 123.743 0.817 . . . . 0.0 110.453 -176.86 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 26.8 mt -94.62 156.35 16.46 Favored 'General case' 0 N--CA 1.456 -0.137 0 CA-C-O 120.816 0.341 . . . . 0.0 110.603 176.749 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 81' ' ' ASP . . . . . . . . . . . . . 6.1 m-20 -125.32 95.78 4.59 Favored 'General case' 0 N--CA 1.453 -0.304 0 N-CA-C 107.615 -1.254 . . . . 0.0 107.615 177.101 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 82' ' ' ILE . . . . . . . . . . . . . 67.0 mt -109.96 139.11 34.63 Favored 'Isoleucine or valine' 0 N--CA 1.456 -0.172 0 C-N-CA 123.273 0.629 . . . . 0.0 109.899 -170.614 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 83' ' ' ASN . . . . . . . . . . . . . 6.7 t30 -154.12 158.13 39.95 Favored 'General case' 0 CA--C 1.53 0.21 0 N-CA-C 109.783 -0.451 . . . . 0.0 109.783 -175.853 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 84' ' ' LEU . . . . . . . . . . . . . 17.6 tp -60.46 139.69 57.6 Favored 'General case' 0 N--CA 1.45 -0.45 0 N-CA-C 109.174 -0.676 . . . . 0.0 109.174 174.408 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.531 0.225 0 N-CA-C 113.5 0.926 . . . . 0.0 113.5 -175.216 . . . . . . . . 0 0 . 1 . 013 nuclear build core ' A' A ' 98' ' ' LYS . . . . . . . . . . . . . 8.3 mptt . . . . . 0 CA--C 1.529 0.145 0 N-CA-C 111.553 0.205 . . . . 0.0 111.553 . . . . . . . . . 0 0 . 1 . 013 nuclear build core ' A' A ' 99' ' ' ARG . . . . . . . . . . . . . 21.4 tpt180 -136.23 170.48 15.96 Favored 'General case' 0 CA--C 1.529 0.141 0 C-N-CA 123.893 0.877 . . . . 0.0 109.121 179.234 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 67.0 m -61.87 -15.1 39.77 Favored 'General case' 0 C--O 1.232 0.135 0 N-CA-C 112.503 0.557 . . . . 0.0 112.503 179.305 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 101' ' ' ALA . . . . . . . . . . . . . . . 53.0 17.1 0.83 Allowed 'General case' 0 CA--C 1.533 0.303 0 C-N-CA 123.989 0.916 . . . . 0.0 112.209 -176.486 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -148.86 14.23 0.92 Allowed 'General case' 0 N--CA 1.454 -0.267 0 C-N-CA 123.654 0.781 . . . . 0.0 110.946 -178.558 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 20.5 pt-20 -68.36 -4.97 16.35 Favored 'General case' 0 CA--C 1.531 0.221 0 N-CA-C 112.459 0.54 . . . . 0.0 112.459 -175.989 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 104' ' ' MET . . . . . . . . . . . . . 73.5 mtm -105.84 6.54 31.7 Favored 'General case' 0 CA--C 1.533 0.295 0 C-N-CA 123.449 0.7 . . . . 0.0 111.472 178.903 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 105' ' ' TYR . . . . . . . . . . . . . 61.1 m-85 -133.52 -2.09 3.08 Favored 'General case' 0 CA--C 1.53 0.183 0 C-N-CA 122.814 0.446 . . . . 0.0 111.879 -177.599 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 106' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--N 1.339 0.735 0 N-CA-C 111.445 -0.662 . . . . 0.0 111.445 179.066 . . . . . . . . 0 0 . 1 . 014 nuclear build core ' A' A ' 4' ' ' ASN . . . . . . . . . . . . . 52.8 p-10 . . . . . 0 CA--C 1.532 0.271 0 N-CA-C 111.989 0.366 . . . . 0.0 111.989 . . . . . . . . . 0 0 . 1 . 014 nuclear build core ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 96.9 t -94.67 134.0 33.64 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.18 0 C-N-CA 123.116 0.567 . . . . 0.0 110.56 -178.223 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 60.7 p -146.66 5.13 0.9 Allowed 'General case' 0 C--N 1.339 0.114 0 C-N-CA 123.205 0.602 . . . . 0.0 111.86 179.265 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 7' ' ' ASN . . . . . . . . . . . . . 62.3 t-20 . . . . . 0 N--CA 1.455 -0.182 0 O-C-N 121.338 -0.851 . . . . 0.0 110.893 -177.14 . . . . . . . . 0 0 . 1 . 014 nuclear build core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 70.2 p . . . . . 0 N--CA 1.456 -0.173 0 CA-C-O 120.31 0.1 . . . . 0.0 110.996 . . . . . . . . . 0 0 . 1 . 014 nuclear build core ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 30.2 ttp-105 -100.06 154.43 18.42 Favored 'General case' 0 N--CA 1.456 -0.158 0 C-N-CA 123.576 0.75 . . . . 0.0 110.299 177.671 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 88.1 t -128.09 130.89 69.78 Favored 'Isoleucine or valine' 0 N--CA 1.449 -0.507 0 C-N-CA 123.168 0.587 . . . . 0.0 110.095 177.87 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 16.1 t80 -86.93 133.5 33.59 Favored 'General case' 0 N--CA 1.452 -0.372 0 C-N-CA 123.917 0.887 . . . . 0.0 109.052 175.08 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 64.0 mt -122.0 83.36 0.8 Allowed 'Isoleucine or valine' 0 N--CA 1.455 -0.184 0 N-CA-C 107.797 -1.186 . . . . 0.0 107.797 178.21 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -84.73 173.31 49.14 Favored Glycine 0 CA--C 1.523 0.548 0 N-CA-C 110.998 -0.841 . . . . 0.0 110.998 178.04 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 59.1 t30 48.6 49.15 18.94 Favored 'General case' 0 CA--C 1.532 0.253 0 C-N-CA 123.072 0.549 . . . . 0.0 110.858 -178.666 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 59.4 tp -101.19 146.25 27.75 Favored 'General case' 0 CA--C 1.529 0.148 0 N-CA-C 109.381 -0.6 . . . . 0.0 109.381 179.219 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 64.0 t30 -70.22 -37.25 74.99 Favored 'General case' 0 N--CA 1.455 -0.191 0 O-C-N 122.205 -0.309 . . . . 0.0 111.424 -177.338 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 49.7 p 51.95 7.52 0.05 Allowed 'General case' 0 N--CA 1.465 0.317 0 C-N-CA 126.385 1.874 . . . . 0.0 115.106 178.992 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 6.7 mp -102.03 -14.23 17.22 Favored 'General case' 0 CA--C 1.53 0.175 0 C-N-CA 123.589 0.756 . . . . 0.0 111.095 176.516 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 61.5 t -128.14 -20.14 1.93 Allowed 'Isoleucine or valine' 0 C--O 1.23 0.06 0 C-N-CA 122.937 0.495 . . . . 0.0 110.636 178.773 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 57.4 t -108.27 137.05 41.77 Favored 'Isoleucine or valine' 0 C--O 1.234 0.247 0 O-C-N 122.262 -0.273 . . . . 0.0 110.3 178.003 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -127.31 171.85 11.13 Favored 'General case' 0 C--N 1.337 0.062 0 C-N-CA 124.07 0.948 . . . . 0.0 109.753 -178.582 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 10.7 ptmt -66.77 -5.01 10.45 Favored 'General case' 0 CA--C 1.529 0.135 0 C-N-CA 123.651 0.78 . . . . 0.0 112.638 179.909 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 53.3 p -95.68 -11.63 26.8 Favored 'General case' 0 CA--C 1.529 0.148 0 C-N-CA 123.593 0.757 . . . . 0.0 110.969 174.684 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 39.4 m-20 -103.23 -34.38 8.84 Favored 'General case' 0 N--CA 1.452 -0.37 0 C-N-CA 124.451 1.1 . . . . 0.0 110.691 179.54 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 85.6 t -66.62 -30.61 50.28 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.188 0 N-CA-C 109.014 -0.736 . . . . 0.0 109.014 -179.187 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 25.5 pt-20 -80.15 8.08 7.98 Favored 'General case' 0 CA--C 1.532 0.254 0 N-CA-C 111.818 0.303 . . . . 0.0 111.818 178.178 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -125.92 -9.32 6.62 Favored 'General case' 0 N--CA 1.456 -0.17 0 C-N-CA 123.251 0.62 . . . . 0.0 111.168 176.407 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 73.3 mt -107.26 -28.1 2.87 Favored 'Isoleucine or valine' 0 C--N 1.34 0.193 0 C-N-CA 123.055 0.542 . . . . 0.0 110.591 178.692 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 37' ' ' PHE . . . . . . . . . . . . . 66.1 m-85 -101.86 -8.84 21.27 Favored 'General case' 0 N--CA 1.453 -0.311 0 C-N-CA 122.56 0.344 . . . . 0.0 111.102 179.559 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 26.6 t -73.12 -13.56 61.21 Favored 'General case' 0 CA--C 1.528 0.118 0 O-C-N 122.194 -0.317 . . . . 0.0 111.149 -178.709 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 18.3 ptmt -83.92 -10.8 57.69 Favored 'General case' 0 CA--C 1.53 0.211 0 C-N-CA 122.893 0.477 . . . . 0.0 112.031 179.714 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 40' ' ' TYR . . . . . . . . . . . . . 74.8 m-85 -106.24 -14.73 15.04 Favored 'General case' 0 N--CA 1.463 0.191 0 C-N-CA 122.643 0.377 . . . . 0.0 111.216 177.957 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -176.59 160.21 27.54 Favored Glycine 0 C--N 1.335 0.476 0 N-CA-C 111.877 -0.489 . . . . 0.0 111.877 174.673 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 78.6 tttt -72.11 114.35 10.12 Favored 'General case' 0 N--CA 1.452 -0.35 0 N-CA-C 108.744 -0.836 . . . . 0.0 108.744 178.337 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 43' ' ' ILE . . . . . . . . . . . . . 74.4 mt -83.22 129.28 37.73 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.182 0 N-CA-C 109.745 -0.465 . . . . 0.0 109.745 -178.447 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 34.1 m -108.56 -6.61 10.91 Favored 'Isoleucine or valine' 0 CA--C 1.527 0.07 0 C-N-CA 123.364 0.666 . . . . 0.0 110.731 178.329 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . -172.21 147.42 9.96 Favored Glycine 0 CA--C 1.525 0.696 0 N-CA-C 110.05 -1.22 . . . . 0.0 110.05 177.14 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 46' ' ' CYS . . . . . . . . . . . . . 52.9 t -153.04 144.82 23.56 Favored 'General case' 0 N--CA 1.45 -0.425 0 N-CA-C 109.804 -0.443 . . . . 0.0 109.804 179.777 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 22.6 t -151.53 142.85 23.38 Favored 'General case' 0 N--CA 1.45 -0.471 0 N-CA-C 109.963 -0.384 . . . . 0.0 109.963 177.265 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 48' ' ' VAL . . . . . . . . . . . . . 93.8 t -120.0 146.23 25.09 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.376 0 N-CA-C 109.186 -0.672 . . . . 0.0 109.186 178.245 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 49' ' ' HIS . . . . . . . . . . . . . 43.1 m80 -131.78 -163.17 1.3 Allowed 'General case' 0 N--CA 1.452 -0.353 0 C-N-CA 124.458 1.103 . . . . 0.0 108.036 -176.677 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 7.0 tmtt? -93.18 114.38 26.86 Favored 'General case' 0 N--CA 1.454 -0.269 0 N-CA-C 109.307 -0.627 . . . . 0.0 109.307 177.829 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 85.62 -11.42 61.7 Favored Glycine 0 CA--C 1.528 0.888 0 CA-C-O 119.674 -0.515 . . . . 0.0 113.289 178.636 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 50.5 p90 -149.83 167.24 27.13 Favored 'General case' 0 N--CA 1.456 -0.129 0 CA-C-N 118.576 1.188 . . . . 0.0 111.545 179.254 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -148.63 172.27 14.82 Favored 'General case' 0 N--CA 1.455 -0.207 0 C-N-CA 123.837 0.855 . . . . 0.0 110.389 176.897 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 54' ' ' PHE . . . . . . . . . . . . . 21.9 m-85 -140.95 145.93 36.68 Favored 'General case' 0 N--CA 1.453 -0.308 0 C-N-CA 123.915 0.886 . . . . 0.0 110.79 179.75 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 96.8 t -135.98 136.13 49.94 Favored 'Isoleucine or valine' 0 CA--C 1.519 -0.241 0 C-N-CA 123.573 0.749 . . . . 0.0 109.181 178.17 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 56' ' ' GLN . . . . . . . . . . . . . 58.2 tp60 -115.58 130.29 56.82 Favored 'General case' 0 N--CA 1.45 -0.454 0 C-N-CA 123.343 0.657 . . . . 0.0 109.541 -177.374 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 57' ' ' TYR . . . . . . . . . . . . . 43.2 m-85 -111.38 177.25 4.72 Favored 'General case' 0 N--CA 1.454 -0.247 0 C-N-CA 123.396 0.678 . . . . 0.0 110.758 179.47 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 58' ' ' VAL . . . . . . . . . . . . . 68.7 t -72.47 -31.39 37.89 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.183 0 CA-C-N 116.517 -0.311 . . . . 0.0 110.218 178.45 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 59' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -155.36 169.55 23.97 Favored 'General case' 0 C--O 1.231 0.129 0 CA-C-O 121.144 0.497 . . . . 0.0 112.331 178.901 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 74.3 tt0 -59.55 -30.53 68.69 Favored 'General case' 0 N--CA 1.455 -0.205 0 C-N-CA 123.883 0.873 . . . . 0.0 112.215 -178.301 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 19.2 tpp180 -59.7 -38.57 81.96 Favored 'General case' 0 N--CA 1.456 -0.134 0 CA-C-N 118.912 0.778 . . . . 0.0 109.923 -179.916 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 62' ' ' ASN . . . . . . . . . . . . . 19.5 m120 -71.44 -25.04 62.14 Favored 'General case' 0 N--CA 1.452 -0.345 0 C-N-CA 121.08 -0.248 . . . . 0.0 111.047 179.637 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -74.68 -37.59 62.62 Favored 'General case' 0 N--CA 1.454 -0.228 0 N-CA-C 110.372 -0.233 . . . . 0.0 110.372 177.982 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 64' ' ' ARG . . . . . . . . . . . . . 32.1 mmt180 -69.75 -26.45 64.31 Favored 'General case' 0 N--CA 1.457 -0.088 0 N-CA-C 110.606 -0.146 . . . . 0.0 110.606 179.392 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -78.36 -33.38 49.05 Favored 'General case' 0 N--CA 1.454 -0.237 0 CA-C-N 117.389 0.086 . . . . 0.0 110.877 -179.743 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -82.31 -35.8 27.6 Favored 'General case' 0 N--CA 1.452 -0.372 0 O-C-N 122.024 -0.422 . . . . 0.0 111.452 179.217 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 67' ' ' VAL . . . . . . . . . . . . . 52.0 t -64.98 -30.78 51.37 Favored 'Isoleucine or valine' 0 C--O 1.227 -0.097 0 N-CA-C 109.904 -0.406 . . . . 0.0 109.904 176.038 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -94.33 -10.31 33.12 Favored 'General case' 0 N--CA 1.455 -0.2 0 O-C-N 122.108 -0.37 . . . . 0.0 111.857 177.772 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . -101.93 -13.08 32.69 Favored Glycine 0 CA--C 1.532 1.113 0 CA-C-O 119.216 -0.769 . . . . 0.0 113.924 -177.415 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 24.7 mm-40 -135.56 -19.38 1.63 Allowed 'General case' 0 N--CA 1.465 0.278 0 CA-C-N 118.671 1.236 . . . . 0.0 112.561 -174.282 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 18.9 t0 -61.96 118.32 7.1 Favored 'General case' 0 N--CA 1.455 -0.177 0 CA-C-N 119.425 1.011 . . . . 0.0 110.244 178.893 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . 87.2 9.96 72.27 Favored Glycine 0 C--N 1.336 0.577 0 N-CA-C 111.115 -0.794 . . . . 0.0 111.115 179.258 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 73' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -75.95 168.8 19.37 Favored 'General case' 0 N--CA 1.45 -0.427 0 N-CA-C 106.482 -1.673 . . . . 0.0 106.482 171.511 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 74' ' ' MET . . . . . . . . . . . . . 32.4 ttm -113.69 121.61 44.63 Favored 'General case' 0 N--CA 1.45 -0.453 0 N-CA-C 109.342 -0.614 . . . . 0.0 109.342 -176.97 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 75' ' ' ILE . . . . . . . . . . . . . 0.2 OUTLIER -129.11 136.39 59.72 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.28 0 N-CA-C 109.335 -0.616 . . . . 0.0 109.335 179.692 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . 54.37 17.35 1.53 Allowed 'General case' 0 CA--C 1.531 0.238 0 C-N-CA 123.324 0.649 . . . . 0.0 112.204 -174.177 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 89.61 4.66 72.86 Favored Glycine 0 CA--C 1.527 0.81 0 CA-C-O 119.753 -0.47 . . . . 0.0 112.194 -179.111 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 78' ' ' GLN . . . . . . . . . . . . . 1.0 OUTLIER -124.65 132.12 53.43 Favored 'General case' 0 N--CA 1.451 -0.383 0 CA-C-N 117.897 0.849 . . . . 0.0 110.503 -179.531 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 79' ' ' VAL . . . . . . . . . . . . . 47.2 t -64.29 140.08 20.29 Favored 'Isoleucine or valine' 0 N--CA 1.462 0.172 0 C-N-CA 124.492 1.117 . . . . 0.0 110.434 -179.029 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 30.4 mt -94.02 156.65 16.49 Favored 'General case' 0 N--CA 1.458 -0.075 0 CA-C-O 120.938 0.399 . . . . 0.0 111.394 177.509 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 81' ' ' ASP . . . . . . . . . . . . . 56.1 t0 -122.22 97.19 5.36 Favored 'General case' 0 N--CA 1.456 -0.15 0 N-CA-C 107.628 -1.249 . . . . 0.0 107.628 174.365 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 82' ' ' ILE . . . . . . . . . . . . . 67.4 mt -111.15 140.19 31.57 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.39 0 C-N-CA 123.156 0.582 . . . . 0.0 109.739 -171.288 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 83' ' ' ASN . . . . . . . . . . . . . 1.6 t30 -156.15 157.36 35.82 Favored 'General case' 0 N--CA 1.453 -0.31 0 CA-C-O 120.693 0.283 . . . . 0.0 110.785 -172.854 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 84' ' ' LEU . . . . . 0.4 HD22 ' HA ' ' A' ' 84' ' ' LEU . 1.2 tm? -59.58 131.06 49.79 Favored 'General case' 0 N--CA 1.453 -0.282 0 N-CA-C 107.914 -1.143 . . . . 0.0 107.914 172.6 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.532 0.288 0 N-CA-C 114.688 1.366 . . . . 0.0 114.688 -172.592 . . . . . . . . 0 0 . 1 . 014 nuclear build core ' A' A ' 98' ' ' LYS . . . . . . . . . . . . . 72.7 mmtt . . . . . 0 CA--C 1.529 0.161 0 N-CA-C 111.865 0.32 . . . . 0.0 111.865 . . . . . . . . . 0 0 . 1 . 014 nuclear build core ' A' A ' 99' ' ' ARG . . . . . . . . . . . . . 83.4 mtt-85 -133.49 174.78 10.04 Favored 'General case' 0 N--CA 1.455 -0.178 0 C-N-CA 124.117 0.967 . . . . 0.0 111.044 -178.247 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 30.8 m -68.82 -10.87 59.26 Favored 'General case' 0 N--CA 1.453 -0.324 0 C-N-CA 123.662 0.785 . . . . 0.0 112.474 -179.08 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 101' ' ' ALA . . . . . . . . . . . . . . . 54.61 11.42 0.44 Allowed 'General case' 0 CA--C 1.534 0.349 0 C-N-CA 124.22 1.008 . . . . 0.0 112.967 -176.362 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -146.13 5.84 0.99 Allowed 'General case' 0 N--CA 1.454 -0.259 0 C-N-CA 123.615 0.766 . . . . 0.0 111.274 179.296 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 12.5 pt-20 -82.26 -2.17 51.72 Favored 'General case' 0 CA--C 1.53 0.183 0 C-N-CA 123.386 0.674 . . . . 0.0 112.014 -177.273 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 104' ' ' MET . . . . . . . . . . . . . 73.6 mtm -110.64 8.55 22.77 Favored 'General case' 0 C--O 1.231 0.125 0 C-N-CA 123.679 0.792 . . . . 0.0 111.68 -178.813 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 105' ' ' TYR . . . . . . . . . . . . . 38.1 m-85 -133.23 5.54 3.81 Favored 'General case' 0 CA--C 1.53 0.179 0 C-N-CA 122.743 0.417 . . . . 0.0 111.749 -177.879 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 106' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--N 1.335 0.517 0 N-CA-C 111.363 -0.695 . . . . 0.0 111.363 179.645 . . . . . . . . 0 0 . 1 . 015 nuclear build core ' A' A ' 4' ' ' ASN . . . . . . . . . . . . . 64.8 t30 . . . . . 0 CA--C 1.534 0.341 0 N-CA-C 112.156 0.428 . . . . 0.0 112.156 . . . . . . . . . 0 0 . 1 . 015 nuclear build core ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 91.7 t -131.96 134.95 59.35 Favored 'Isoleucine or valine' 0 C--N 1.34 0.194 0 C-N-CA 122.943 0.497 . . . . 0.0 110.09 -179.674 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 68.5 p -147.89 1.25 0.66 Allowed 'General case' 0 CA--C 1.528 0.12 0 N-CA-C 112.251 0.463 . . . . 0.0 112.251 -176.603 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 7' ' ' ASN . . . . . . . . . . . . . 63.1 t-20 . . . . . 0 N--CA 1.455 -0.197 0 O-C-N 121.41 -0.806 . . . . 0.0 110.886 -175.957 . . . . . . . . 0 0 . 1 . 015 nuclear build core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 14.6 m . . . . . 0 N--CA 1.455 -0.191 0 N-CA-C 111.114 0.042 . . . . 0.0 111.114 . . . . . . . . . 0 0 . 1 . 015 nuclear build core ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 29.9 ttp-105 -102.07 152.36 21.07 Favored 'General case' 0 C--N 1.341 0.218 0 C-N-CA 123.578 0.751 . . . . 0.0 110.036 179.545 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 79.3 t -128.76 132.74 67.37 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.243 0 C-N-CA 122.962 0.505 . . . . 0.0 109.761 177.449 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 29.8 t80 -94.78 136.17 35.4 Favored 'General case' 0 N--CA 1.452 -0.332 0 C-N-CA 124.001 0.92 . . . . 0.0 109.292 175.934 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 56.8 mt -123.26 85.98 1.0 Allowed 'Isoleucine or valine' 0 N--CA 1.455 -0.194 0 N-CA-C 108.054 -1.091 . . . . 0.0 108.054 -178.452 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -83.93 173.52 50.68 Favored Glycine 0 CA--C 1.525 0.709 0 N-CA-C 110.93 -0.868 . . . . 0.0 110.93 178.125 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 8.9 t30 50.55 42.52 26.81 Favored 'General case' 0 CA--C 1.531 0.225 0 C-N-CA 123.066 0.546 . . . . 0.0 111.097 179.199 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 53.6 tp -94.62 144.42 25.62 Favored 'General case' 0 CA--C 1.532 0.254 0 C-N-CA 123.509 0.724 . . . . 0.0 109.331 179.547 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 64.4 t30 -68.23 -36.97 80.32 Favored 'General case' 0 C--O 1.226 -0.148 0 C-N-CA 120.825 -0.35 . . . . 0.0 111.408 -178.052 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 44.5 p 51.08 8.71 0.04 OUTLIER 'General case' 0 N--CA 1.466 0.364 0 C-N-CA 126.386 1.874 . . . . 0.0 114.998 179.166 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 6.8 mp -103.82 -14.7 15.94 Favored 'General case' 0 C--O 1.23 0.064 0 C-N-CA 123.526 0.73 . . . . 0.0 111.17 176.961 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 58.3 t -127.51 -18.43 2.43 Favored 'Isoleucine or valine' 0 CA--C 1.529 0.171 0 C-N-CA 122.947 0.499 . . . . 0.0 110.54 178.467 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 65.4 t -109.1 143.05 20.03 Favored 'Isoleucine or valine' 0 CA--C 1.528 0.124 0 N-CA-C 109.71 -0.478 . . . . 0.0 109.71 177.706 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -135.81 173.29 11.88 Favored 'General case' 0 N--CA 1.457 -0.111 0 C-N-CA 123.332 0.653 . . . . 0.0 110.105 -177.869 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 3.9 ptmm? -65.59 -5.3 7.81 Favored 'General case' 0 CA--C 1.529 0.15 0 C-N-CA 124.041 0.936 . . . . 0.0 112.451 -179.426 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 54.0 p -97.68 -12.93 21.82 Favored 'General case' 0 CA--C 1.529 0.158 0 C-N-CA 123.654 0.782 . . . . 0.0 110.872 175.573 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 55.1 m-20 -100.89 -35.11 9.52 Favored 'General case' 0 N--CA 1.451 -0.402 0 C-N-CA 124.222 1.009 . . . . 0.0 111.03 178.603 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 71.4 t -63.07 -32.74 57.32 Favored 'Isoleucine or valine' 0 CA--C 1.528 0.097 0 N-CA-C 109.406 -0.59 . . . . 0.0 109.406 179.484 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 24.1 pt-20 -79.81 8.16 7.32 Favored 'General case' 0 CA--C 1.531 0.224 0 N-CA-C 111.979 0.363 . . . . 0.0 111.979 178.955 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -127.07 -7.55 5.98 Favored 'General case' 0 CA--C 1.53 0.193 0 C-N-CA 123.244 0.618 . . . . 0.0 111.426 177.159 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 74.9 mt -109.68 -27.47 2.89 Favored 'Isoleucine or valine' 0 C--O 1.226 -0.133 0 C-N-CA 123.173 0.589 . . . . 0.0 110.704 178.608 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 37' ' ' PHE . . . . . . . . . . . . . 67.5 m-85 -103.01 -9.13 20.05 Favored 'General case' 0 N--CA 1.453 -0.282 0 C-N-CA 122.497 0.319 . . . . 0.0 110.812 179.559 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 22.9 t -74.34 -11.34 60.23 Favored 'General case' 0 CA--C 1.528 0.127 0 CA-C-O 120.796 0.331 . . . . 0.0 111.096 -178.742 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 18.6 ptmt -83.47 -11.57 57.34 Favored 'General case' 0 C--N 1.339 0.151 0 C-N-CA 122.956 0.502 . . . . 0.0 111.942 179.416 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 40' ' ' TYR . . . . . . . . . . . . . 74.1 m-85 -105.17 -16.31 14.82 Favored 'General case' 0 C--O 1.231 0.119 0 C-N-CA 122.532 0.333 . . . . 0.0 111.275 178.267 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -176.37 161.0 29.01 Favored Glycine 0 C--N 1.334 0.445 0 N-CA-C 111.455 -0.658 . . . . 0.0 111.455 174.276 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 56.2 tttp -70.77 116.84 11.55 Favored 'General case' 0 N--CA 1.452 -0.326 0 N-CA-C 108.918 -0.771 . . . . 0.0 108.918 177.747 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 43' ' ' ILE . . . . . . . . . . . . . 74.5 mt -82.95 131.35 33.94 Favored 'Isoleucine or valine' 0 C--N 1.333 -0.141 0 N-CA-C 109.413 -0.588 . . . . 0.0 109.413 -178.941 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 30.6 m -114.32 -2.16 10.18 Favored 'Isoleucine or valine' 0 CA--C 1.523 -0.083 0 C-N-CA 123.899 0.879 . . . . 0.0 110.81 179.46 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . -171.62 148.16 10.77 Favored Glycine 0 CA--C 1.522 0.523 0 N-CA-C 110.131 -1.188 . . . . 0.0 110.131 177.235 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 46' ' ' CYS . . . . . . . . . . . . . 28.4 p -155.63 148.98 24.81 Favored 'General case' 0 N--CA 1.452 -0.366 0 N-CA-C 109.878 -0.416 . . . . 0.0 109.878 -178.704 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 32.8 t -158.78 139.35 12.56 Favored 'General case' 0 N--CA 1.453 -0.317 0 N-CA-C 109.285 -0.635 . . . . 0.0 109.285 176.83 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 48' ' ' VAL . . . . . . . . . . . . . 98.6 t -116.82 150.39 18.83 Favored 'Isoleucine or valine' 0 CA--C 1.519 -0.214 0 N-CA-C 109.13 -0.692 . . . . 0.0 109.13 176.653 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 49' ' ' HIS . . . . . . . . . . . . . 59.0 m-70 -135.8 -165.75 1.75 Allowed 'General case' 0 N--CA 1.45 -0.457 0 N-CA-C 108.113 -1.069 . . . . 0.0 108.113 -178.482 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 75.3 mmtt -89.37 119.33 29.74 Favored 'General case' 0 N--CA 1.455 -0.213 0 CA-C-N 118.379 0.536 . . . . 0.0 109.787 176.182 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 80.89 -10.27 47.97 Favored Glycine 0 CA--C 1.533 1.186 0 CA-C-O 119.44 -0.644 . . . . 0.0 113.775 178.354 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 49.4 p90 -151.44 168.28 25.35 Favored 'General case' 0 CA--C 1.528 0.109 0 CA-C-N 118.496 1.148 . . . . 0.0 111.56 178.879 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -149.26 171.78 15.94 Favored 'General case' 0 N--CA 1.453 -0.289 0 C-N-CA 123.795 0.838 . . . . 0.0 110.138 177.421 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 54' ' ' PHE . . . . . . . . . . . . . 22.8 m-85 -139.27 145.75 39.54 Favored 'General case' 0 N--CA 1.456 -0.127 0 C-N-CA 123.851 0.86 . . . . 0.0 110.602 179.548 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 95.9 t -136.55 140.73 42.78 Favored 'Isoleucine or valine' 0 C--O 1.226 -0.171 0 C-N-CA 123.917 0.887 . . . . 0.0 109.352 178.679 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 56' ' ' GLN . . . . . . . . . . . . . 66.6 tp60 -120.58 134.27 55.3 Favored 'General case' 0 N--CA 1.452 -0.375 0 N-CA-C 109.244 -0.65 . . . . 0.0 109.244 -177.898 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 57' ' ' TYR . . . . . . . . . . . . . 49.7 m-85 -115.03 174.38 6.01 Favored 'General case' 0 N--CA 1.455 -0.188 0 C-N-CA 123.142 0.577 . . . . 0.0 110.961 -179.453 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 58' ' ' VAL . . . . . . . . . . . . . 87.2 t -68.75 -31.85 52.51 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.214 0 CA-C-N 116.069 -0.514 . . . . 0.0 110.096 178.235 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 59' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -157.24 168.8 26.36 Favored 'General case' 0 C--O 1.233 0.191 0 N-CA-C 112.312 0.486 . . . . 0.0 112.312 176.846 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 81.1 tt0 -56.48 -31.81 64.39 Favored 'General case' 0 N--CA 1.455 -0.2 0 C-N-CA 124.107 0.963 . . . . 0.0 112.771 -179.352 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 25.7 tpt180 -58.52 -39.55 80.43 Favored 'General case' 0 C--N 1.338 0.094 0 CA-C-N 119.341 0.973 . . . . 0.0 109.969 179.919 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 62' ' ' ASN . . . . . . . . . . . . . 20.0 m120 -71.97 -24.53 61.61 Favored 'General case' 0 N--CA 1.45 -0.438 0 C-N-CA 121.134 -0.226 . . . . 0.0 110.761 -179.733 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -76.74 -37.92 55.12 Favored 'General case' 0 N--CA 1.454 -0.238 0 N-CA-C 110.264 -0.272 . . . . 0.0 110.264 178.409 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 64' ' ' ARG . . . . . . . . . . . . . 40.2 mmt180 -68.22 -25.76 65.37 Favored 'General case' 0 CA--C 1.522 -0.114 0 N-CA-C 110.385 -0.228 . . . . 0.0 110.385 178.054 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -80.33 -33.22 37.63 Favored 'General case' 0 N--CA 1.454 -0.234 0 CA-C-N 117.64 0.2 . . . . 0.0 110.857 -178.958 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -80.72 -35.23 33.75 Favored 'General case' 0 N--CA 1.454 -0.245 0 C-N-CA 121.236 -0.185 . . . . 0.0 111.257 178.935 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 67' ' ' VAL . . . . . . . . . . . . . 45.5 t -64.44 -35.12 73.45 Favored 'Isoleucine or valine' 0 N--CA 1.457 -0.089 0 N-CA-C 110.002 -0.37 . . . . 0.0 110.002 175.605 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -90.61 -10.02 44.87 Favored 'General case' 0 N--CA 1.455 -0.202 0 N-CA-C 112.104 0.409 . . . . 0.0 112.104 179.263 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . -102.87 -13.17 30.23 Favored Glycine 0 CA--C 1.531 1.081 0 CA-C-O 119.032 -0.871 . . . . 0.0 113.741 -177.534 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 42.6 mm-40 -133.46 -20.12 2.1 Favored 'General case' 0 CA--C 1.529 0.158 0 CA-C-N 118.992 1.396 . . . . 0.0 112.376 -173.401 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 24.4 t0 -62.06 116.28 4.8 Favored 'General case' 0 N--CA 1.454 -0.239 0 CA-C-N 118.991 0.814 . . . . 0.0 109.917 178.954 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . 88.92 9.83 67.48 Favored Glycine 0 CA--C 1.524 0.631 0 N-CA-C 111.167 -0.773 . . . . 0.0 111.167 179.862 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 73' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -75.62 169.88 17.25 Favored 'General case' 0 N--CA 1.45 -0.442 0 N-CA-C 106.766 -1.568 . . . . 0.0 106.766 172.05 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 74' ' ' MET . . . . . . . . . . . . . 31.1 ttm -114.81 121.61 43.8 Favored 'General case' 0 N--CA 1.451 -0.397 0 N-CA-C 109.168 -0.678 . . . . 0.0 109.168 -177.287 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 75' ' ' ILE . . . . . . . . . . . . . 0.2 OUTLIER -129.43 136.74 58.64 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.313 0 CA-C-N 116.14 -0.482 . . . . 0.0 109.9 179.525 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . 54.61 18.27 1.98 Allowed 'General case' 0 CA--C 1.533 0.295 0 C-N-CA 123.124 0.57 . . . . 0.0 112.047 -173.564 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 88.1 4.86 77.58 Favored Glycine 0 CA--C 1.528 0.865 0 CA-C-O 119.553 -0.582 . . . . 0.0 112.158 -178.815 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 78' ' ' GLN . . . . . . . . . . . . . 1.0 OUTLIER -125.61 134.59 51.86 Favored 'General case' 0 N--CA 1.451 -0.377 0 CA-C-N 117.889 0.845 . . . . 0.0 110.824 179.918 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 79' ' ' VAL . . . . . . . . . . . . . 59.6 t -61.78 141.36 17.75 Favored 'Isoleucine or valine' 0 N--CA 1.461 0.124 0 C-N-CA 124.781 1.232 . . . . 0.0 110.969 -179.054 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 29.6 mt -97.12 158.0 15.65 Favored 'General case' 0 N--CA 1.456 -0.136 0 CA-C-O 120.793 0.33 . . . . 0.0 111.355 175.444 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 81' ' ' ASP . . . . . . . . . . . . . 34.6 t70 -124.31 101.71 7.31 Favored 'General case' 0 N--CA 1.454 -0.243 0 N-CA-C 108.03 -1.1 . . . . 0.0 108.03 175.858 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 82' ' ' ILE . . . . . . . . . . . . . 61.3 mt -118.75 139.65 45.31 Favored 'Isoleucine or valine' 0 C--O 1.232 0.168 0 C-N-CA 122.84 0.456 . . . . 0.0 110.656 -170.392 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 83' ' ' ASN . . . . . . . . . . . . . 1.2 p-10 -159.3 166.89 30.26 Favored 'General case' 0 N--CA 1.456 -0.15 0 C-N-CA 123.362 0.665 . . . . 0.0 109.897 178.049 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 84' ' ' LEU . . . . . . . . . . . . . 4.8 tp -59.01 145.95 40.02 Favored 'General case' 0 N--CA 1.451 -0.405 0 N-CA-C 109.557 -0.535 . . . . 0.0 109.557 176.348 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.455 -0.212 0 N-CA-C 113.071 0.767 . . . . 0.0 113.071 -176.53 . . . . . . . . 0 0 . 1 . 015 nuclear build core ' A' A ' 98' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.455 -0.222 0 N-CA-C 111.843 0.312 . . . . 0.0 111.843 . . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 99' ' ' ARG . . . . . . . . . . . . . 3.0 mpt_? -109.7 173.16 6.45 Favored 'General case' 0 CA--C 1.522 -0.131 0 C-N-CA 123.994 0.918 . . . . 0.0 110.316 179.904 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 45.5 m -68.49 -11.19 59.48 Favored 'General case' 0 N--CA 1.453 -0.278 0 C-N-CA 123.387 0.675 . . . . 0.0 112.135 179.108 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 101' ' ' ALA . . . . . . . . . . . . . . . 52.69 13.41 0.33 Allowed 'General case' 0 CA--C 1.534 0.362 0 C-N-CA 124.316 1.046 . . . . 0.0 112.798 -175.317 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -148.13 7.24 0.8 Allowed 'General case' 0 CA--C 1.532 0.274 0 C-N-CA 123.943 0.897 . . . . 0.0 111.445 -179.742 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 13.0 pt-20 -90.05 -1.39 57.95 Favored 'General case' 0 CA--C 1.531 0.227 0 C-N-CA 123.172 0.589 . . . . 0.0 111.905 -176.732 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 104' ' ' MET . . . . . . . . . . . . . 25.3 ptp -127.19 9.69 6.77 Favored 'General case' 0 N--CA 1.455 -0.197 0 C-N-CA 123.315 0.646 . . . . 0.0 112.621 -175.123 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 105' ' ' TYR . . . . . . . . . . . . . 51.2 m-85 -122.09 -5.89 8.94 Favored 'General case' 0 C--N 1.333 -0.121 0 C-N-CA 122.741 0.416 . . . . 0.0 111.739 179.226 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 106' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--N 1.337 0.639 0 N-CA-C 111.809 -0.517 . . . . 0.0 111.809 179.339 . . . . . . . . 0 0 . 1 . 016 nuclear build core ' A' A ' 4' ' ' ASN . . . . . . . . . . . . . 89.9 m-20 . . . . . 0 CA--C 1.531 0.218 0 N-CA-C 110.872 -0.047 . . . . 0.0 110.872 . . . . . . . . . 0 0 . 1 . 016 nuclear build core ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 97.7 t -95.27 132.57 38.94 Favored 'Isoleucine or valine' 0 CA--C 1.521 -0.147 0 C-N-CA 122.861 0.464 . . . . 0.0 111.19 -174.752 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 74.6 p -147.86 12.32 0.99 Allowed 'General case' 0 C--O 1.226 -0.136 0 C-N-CA 123.554 0.742 . . . . 0.0 111.232 -178.259 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 7' ' ' ASN . . . . . . . . . . . . . 45.1 t30 . . . . . 0 CA--C 1.532 0.273 0 CA-C-N 118.718 0.69 . . . . 0.0 112.502 -174.654 . . . . . . . . 0 0 . 1 . 016 nuclear build core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 77.5 p . . . . . 0 N--CA 1.455 -0.219 0 CA-C-O 120.351 0.12 . . . . 0.0 111.005 . . . . . . . . . 0 0 . 1 . 016 nuclear build core ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 28.3 ttp-105 -101.42 153.56 19.57 Favored 'General case' 0 N--CA 1.456 -0.164 0 C-N-CA 123.52 0.728 . . . . 0.0 110.217 177.773 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 61.5 t -127.56 130.79 70.52 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.405 0 C-N-CA 123.189 0.596 . . . . 0.0 109.828 177.669 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 18.4 t80 -90.1 131.59 35.88 Favored 'General case' 0 N--CA 1.452 -0.349 0 C-N-CA 124.372 1.069 . . . . 0.0 109.145 175.559 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 57.1 mt -121.8 84.77 0.88 Allowed 'Isoleucine or valine' 0 CA--C 1.521 -0.143 0 N-CA-C 108.053 -1.092 . . . . 0.0 108.053 -179.965 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -86.65 175.36 47.18 Favored Glycine 0 CA--C 1.522 0.512 0 N-CA-C 111.308 -0.717 . . . . 0.0 111.308 178.365 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 6.6 t30 51.0 42.99 29.1 Favored 'General case' 0 CA--C 1.533 0.308 0 C-N-CA 123.095 0.558 . . . . 0.0 110.706 179.908 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 59.5 tp -97.56 146.72 24.99 Favored 'General case' 0 N--CA 1.455 -0.187 0 C-N-CA 123.731 0.812 . . . . 0.0 109.317 -179.459 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 63.7 t30 -68.86 -37.17 78.91 Favored 'General case' 0 CA--C 1.529 0.166 0 O-C-N 122.292 -0.255 . . . . 0.0 111.199 -177.972 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 63.0 p 51.17 9.13 0.05 Allowed 'General case' 0 N--CA 1.466 0.373 0 C-N-CA 126.335 1.854 . . . . 0.0 114.956 179.112 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 6.7 mp -102.44 -14.8 16.71 Favored 'General case' 0 CA--C 1.53 0.186 0 C-N-CA 123.707 0.803 . . . . 0.0 111.319 176.494 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 60.9 t -128.9 -21.66 1.54 Allowed 'Isoleucine or valine' 0 CA--C 1.528 0.115 0 C-N-CA 122.761 0.425 . . . . 0.0 110.479 178.977 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 90.5 t -101.89 136.76 32.39 Favored 'Isoleucine or valine' 0 C--N 1.34 0.17 0 N-CA-C 110.078 -0.341 . . . . 0.0 110.078 177.506 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 3.6 mppt? -130.32 172.04 12.28 Favored 'General case' 0 N--CA 1.456 -0.157 0 C-N-CA 124.255 1.022 . . . . 0.0 109.059 -179.363 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 6.0 ptmm? -64.89 -8.0 13.67 Favored 'General case' 0 CA--C 1.529 0.135 0 C-N-CA 123.529 0.732 . . . . 0.0 111.99 -179.804 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 31.9 m -96.06 -2.94 45.7 Favored 'General case' 0 CA--C 1.529 0.139 0 C-N-CA 123.213 0.605 . . . . 0.0 110.653 176.31 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 42.1 m-20 -110.64 -36.39 5.74 Favored 'General case' 0 N--CA 1.451 -0.411 0 C-N-CA 124.19 0.996 . . . . 0.0 109.682 178.552 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 92.9 t -62.19 -31.63 52.11 Favored 'Isoleucine or valine' 0 N--CA 1.456 -0.163 0 N-CA-C 109.757 -0.46 . . . . 0.0 109.757 178.083 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 23.5 pt-20 -79.33 4.97 13.65 Favored 'General case' 0 CA--C 1.531 0.238 0 N-CA-C 112.125 0.417 . . . . 0.0 112.125 178.744 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -124.87 -7.03 7.28 Favored 'General case' 0 N--CA 1.455 -0.19 0 C-N-CA 123.183 0.593 . . . . 0.0 111.054 177.22 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 76.5 mt -111.42 -27.91 2.71 Favored 'Isoleucine or valine' 0 N--CA 1.457 -0.091 0 C-N-CA 122.954 0.502 . . . . 0.0 110.989 179.338 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 37' ' ' PHE . . . . . . . . . . . . . 71.0 m-85 -104.87 -6.26 20.36 Favored 'General case' 0 N--CA 1.451 -0.409 0 C-N-CA 122.619 0.367 . . . . 0.0 111.202 179.215 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 23.8 t -77.24 -10.44 59.42 Favored 'General case' 0 CA--C 1.531 0.216 0 O-C-N 122.184 -0.322 . . . . 0.0 111.007 -179.869 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 13.5 ptmm? -84.09 -11.5 56.57 Favored 'General case' 0 CA--C 1.527 0.096 0 C-N-CA 122.979 0.512 . . . . 0.0 112.305 178.914 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 40' ' ' TYR . . . . . . . . . . . . . 64.0 m-85 -107.18 -15.56 14.63 Favored 'General case' 0 C--O 1.233 0.236 0 C-N-CA 122.409 0.284 . . . . 0.0 111.302 178.383 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -173.92 164.26 35.58 Favored Glycine 0 CA--C 1.523 0.534 0 N-CA-C 112.045 -0.422 . . . . 0.0 112.045 175.156 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 78.3 tttt -75.73 113.26 12.99 Favored 'General case' 0 N--CA 1.452 -0.332 0 N-CA-C 109.11 -0.7 . . . . 0.0 109.11 177.922 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 43' ' ' ILE . . . . . . . . . . . . . 73.7 mt -82.59 127.26 39.82 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.295 0 N-CA-C 109.722 -0.473 . . . . 0.0 109.722 -178.445 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 34.6 m -107.76 -12.04 10.58 Favored 'Isoleucine or valine' 0 C--O 1.23 0.045 0 C-N-CA 123.179 0.592 . . . . 0.0 110.523 179.546 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . -164.08 147.72 13.35 Favored Glycine 0 CA--C 1.523 0.561 0 N-CA-C 110.094 -1.203 . . . . 0.0 110.094 179.043 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 46' ' ' CYS . . . . . . . . . . . . . 31.9 p -153.6 149.05 27.2 Favored 'General case' 0 N--CA 1.452 -0.372 0 CA-C-N 116.959 0.379 . . . . 0.0 110.402 179.742 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 32.6 t -156.61 135.46 11.77 Favored 'General case' 0 N--CA 1.452 -0.374 0 N-CA-C 110.107 -0.331 . . . . 0.0 110.107 177.201 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 48' ' ' VAL . . . . . . . . . . . . . 80.1 t -110.78 148.01 14.47 Favored 'Isoleucine or valine' 0 N--CA 1.456 -0.174 0 N-CA-C 109.573 -0.529 . . . . 0.0 109.573 176.116 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 49' ' ' HIS . . . . . . . . . . . . . 54.9 m-70 -132.44 -164.83 1.51 Allowed 'General case' 0 N--CA 1.453 -0.279 0 N-CA-C 108.004 -1.11 . . . . 0.0 108.004 -178.103 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 75.4 mmtt -92.63 118.86 31.48 Favored 'General case' 0 N--CA 1.457 -0.123 0 N-CA-C 109.64 -0.504 . . . . 0.0 109.64 176.513 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 81.11 -8.85 56.6 Favored Glycine 0 CA--C 1.529 0.948 0 C-N-CA 123.681 0.658 . . . . 0.0 113.525 179.3 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 45.8 p90 -153.06 168.51 25.65 Favored 'General case' 0 C--N 1.339 0.136 0 CA-C-N 118.521 1.16 . . . . 0.0 111.556 178.252 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -147.69 171.84 15.01 Favored 'General case' 0 CA--C 1.53 0.21 0 C-N-CA 124.031 0.932 . . . . 0.0 110.032 176.748 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 54' ' ' PHE . . . . . . . . . . . . . 10.6 m-85 -139.57 145.25 38.38 Favored 'General case' 0 N--CA 1.453 -0.303 0 C-N-CA 123.89 0.876 . . . . 0.0 110.405 179.729 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 87.5 t -135.88 137.5 48.88 Favored 'Isoleucine or valine' 0 CA--C 1.517 -0.326 0 C-N-CA 123.592 0.757 . . . . 0.0 109.148 178.737 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 56' ' ' GLN . . . . . . . . . . . . . 63.0 tp60 -117.09 128.7 55.4 Favored 'General case' 0 N--CA 1.451 -0.394 0 N-CA-C 109.443 -0.576 . . . . 0.0 109.443 -176.907 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 57' ' ' TYR . . . . . . . . . . . . . 41.9 m-85 -110.85 177.2 4.74 Favored 'General case' 0 N--CA 1.455 -0.209 0 C-N-CA 123.533 0.733 . . . . 0.0 110.671 179.721 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 58' ' ' VAL . . . . . . . . . . . . . 53.3 t -73.33 -31.72 34.87 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.275 0 CA-C-N 116.367 -0.379 . . . . 0.0 110.561 178.188 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 59' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -153.64 168.58 25.74 Favored 'General case' 0 N--CA 1.453 -0.318 0 CA-C-O 121.395 0.616 . . . . 0.0 112.647 179.105 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 74.2 tt0 -59.83 -28.84 67.82 Favored 'General case' 0 CA--C 1.529 0.151 0 C-N-CA 124.354 1.061 . . . . 0.0 112.377 -177.415 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 26.3 tpt180 -63.03 -39.76 95.71 Favored 'General case' 0 C--N 1.339 0.11 0 CA-C-N 118.538 0.608 . . . . 0.0 110.159 179.217 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 62' ' ' ASN . . . . . . . . . . . . . 19.8 m120 -69.69 -27.13 64.75 Favored 'General case' 0 N--CA 1.451 -0.409 0 C-N-CA 120.648 -0.421 . . . . 0.0 110.762 -179.56 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -71.44 -40.58 70.29 Favored 'General case' 0 N--CA 1.453 -0.321 0 N-CA-C 110.164 -0.309 . . . . 0.0 110.164 178.628 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 64' ' ' ARG . . . . . . . . . . . . . 93.4 mtt-85 -72.75 -21.25 61.05 Favored 'General case' 0 CA--C 1.523 -0.087 0 C-N-CA 121.193 -0.203 . . . . 0.0 111.357 -178.118 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -78.88 -32.46 45.86 Favored 'General case' 0 N--CA 1.452 -0.331 0 N-CA-C 110.242 -0.281 . . . . 0.0 110.242 177.924 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -83.33 -33.73 25.83 Favored 'General case' 0 N--CA 1.454 -0.265 0 O-C-N 122.356 -0.215 . . . . 0.0 110.95 178.52 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 67' ' ' VAL . . . . . . . . . . . . . 49.0 t -65.39 -30.9 51.64 Favored 'Isoleucine or valine' 0 C--O 1.227 -0.104 0 N-CA-C 110.216 -0.29 . . . . 0.0 110.216 175.127 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -95.3 -10.73 29.37 Favored 'General case' 0 CA--C 1.53 0.202 0 N-CA-C 112.049 0.389 . . . . 0.0 112.049 177.934 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . -101.08 -13.56 33.4 Favored Glycine 0 CA--C 1.53 0.994 0 CA-C-O 119.208 -0.773 . . . . 0.0 113.814 -177.012 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 46.2 mm-40 -134.05 -19.07 2.02 Favored 'General case' 0 N--CA 1.463 0.185 0 CA-C-N 118.455 1.127 . . . . 0.0 112.545 -173.948 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 21.3 t70 -61.44 117.57 5.86 Favored 'General case' 0 C--O 1.233 0.193 0 O-C-N 121.193 -0.942 . . . . 0.0 110.336 178.628 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . 88.38 9.01 70.27 Favored Glycine 0 C--N 1.337 0.585 0 N-CA-C 111.11 -0.796 . . . . 0.0 111.11 179.283 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 73' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -75.36 169.75 17.44 Favored 'General case' 0 N--CA 1.45 -0.425 0 N-CA-C 106.457 -1.683 . . . . 0.0 106.457 172.229 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 74' ' ' MET . . . . . . . . . . . . . 31.4 ttm -114.94 121.97 44.83 Favored 'General case' 0 N--CA 1.448 -0.528 0 N-CA-C 109.388 -0.597 . . . . 0.0 109.388 -177.718 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 75' ' ' ILE . . . . . . . . . . . . . 0.2 OUTLIER -129.48 136.79 58.49 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.299 0 CA-C-N 115.982 -0.554 . . . . 0.0 109.934 179.956 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . 54.5 18.41 1.96 Allowed 'General case' 0 CA--C 1.53 0.192 0 C-N-CA 123.037 0.535 . . . . 0.0 112.081 -173.496 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 88.4 4.54 76.9 Favored Glycine 0 CA--C 1.525 0.658 0 CA-C-O 119.583 -0.565 . . . . 0.0 112.202 -178.858 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 78' ' ' GLN . . . . . . . . . . . . . 1.0 OUTLIER -125.46 135.07 51.94 Favored 'General case' 0 N--CA 1.451 -0.417 0 CA-C-N 117.923 0.862 . . . . 0.0 110.751 -179.712 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 79' ' ' VAL . . . . . . . . . . . . . 70.2 t -63.09 140.99 18.72 Favored 'Isoleucine or valine' 0 C--O 1.227 -0.117 0 C-N-CA 124.832 1.253 . . . . 0.0 111.099 -179.054 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 28.6 mt -96.54 157.33 15.95 Favored 'General case' 0 CA--C 1.527 0.094 0 CA-C-O 120.798 0.332 . . . . 0.0 111.437 175.762 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 81' ' ' ASP . . . . . . . . . . . . . 30.0 t70 -125.74 101.42 6.86 Favored 'General case' 0 N--CA 1.451 -0.388 0 N-CA-C 107.491 -1.3 . . . . 0.0 107.491 175.226 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 82' ' ' ILE . . . . . . . . . . . . . 63.3 mt -114.41 140.07 37.12 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.236 0 C-N-CA 123.238 0.615 . . . . 0.0 109.733 -169.906 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 83' ' ' ASN . . . . . . . . . . . . . 2.1 t30 -151.51 154.21 36.07 Favored 'General case' 0 N--CA 1.453 -0.278 0 C-N-CA 122.105 0.162 . . . . 0.0 111.037 -173.784 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 84' ' ' LEU . . . . . . . . . . . . . 1.4 tm? -60.32 129.85 43.7 Favored 'General case' 0 CA--C 1.531 0.241 0 N-CA-C 108.417 -0.957 . . . . 0.0 108.417 172.872 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.533 0.294 0 N-CA-C 114.328 1.233 . . . . 0.0 114.328 -171.845 . . . . . . . . 0 0 . 1 . 016 nuclear build core ' A' A ' 98' ' ' LYS . . . . . . . . . . . . . 35.3 mmtp . . . . . 0 CA--C 1.529 0.153 0 N-CA-C 111.806 0.299 . . . . 0.0 111.806 . . . . . . . . . 0 0 . 1 . 016 nuclear build core ' A' A ' 99' ' ' ARG . . . . . . . . . . . . . 32.7 ptt180 -129.01 173.89 10.03 Favored 'General case' 0 N--CA 1.458 -0.068 0 C-N-CA 124.022 0.929 . . . . 0.0 111.44 -179.286 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 75.2 m -61.72 -16.23 47.45 Favored 'General case' 0 N--CA 1.454 -0.247 0 C-N-CA 123.784 0.834 . . . . 0.0 111.576 176.864 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 101' ' ' ALA . . . . . . . . . . . . . . . 54.17 14.37 0.73 Allowed 'General case' 0 CA--C 1.537 0.475 0 C-N-CA 124.904 1.281 . . . . 0.0 112.354 -176.632 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -142.29 12.05 1.96 Allowed 'General case' 0 N--CA 1.453 -0.307 0 C-N-CA 123.92 0.888 . . . . 0.0 110.357 -179.864 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 20.4 pt-20 -67.89 -8.09 33.69 Favored 'General case' 0 CA--C 1.529 0.157 0 C-N-CA 123.1 0.56 . . . . 0.0 112.025 -177.25 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 104' ' ' MET . . . . . . . . . . . . . 70.6 mtm -103.18 0.84 32.32 Favored 'General case' 0 N--CA 1.453 -0.289 0 C-N-CA 123.564 0.746 . . . . 0.0 111.417 -178.643 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 105' ' ' TYR . . . . . . . . . . . . . 37.2 m-85 -133.24 1.67 3.51 Favored 'General case' 0 C--O 1.233 0.185 0 C-N-CA 122.726 0.41 . . . . 0.0 111.942 -176.677 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 106' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.526 0.735 0 N-CA-C 111.343 -0.703 . . . . 0.0 111.343 179.931 . . . . . . . . 0 0 . 1 . 017 nuclear build core ' A' A ' 4' ' ' ASN . . . . . . . . . . . . . 52.3 t30 . . . . . 0 CA--C 1.532 0.283 0 N-CA-C 112.648 0.61 . . . . 0.0 112.648 . . . . . . . . . 0 0 . 1 . 017 nuclear build core ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 87.5 t -136.57 135.35 49.05 Favored 'Isoleucine or valine' 0 C--N 1.338 0.091 0 N-CA-C 109.656 -0.498 . . . . 0.0 109.656 179.352 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 74.0 p -147.6 5.45 0.8 Allowed 'General case' 0 C--N 1.339 0.11 0 N-CA-C 112.274 0.472 . . . . 0.0 112.274 -177.847 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 7' ' ' ASN . . . . . . . . . . . . . 60.2 t-20 . . . . . 0 N--CA 1.454 -0.228 0 CA-C-N 119.012 0.824 . . . . 0.0 111.512 -176.185 . . . . . . . . 0 0 . 1 . 017 nuclear build core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 78.3 p . . . . . 0 N--CA 1.454 -0.251 0 N-CA-C 111.305 0.113 . . . . 0.0 111.305 . . . . . . . . . 0 0 . 1 . 017 nuclear build core ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 29.9 ttp-105 -102.67 152.99 20.56 Favored 'General case' 0 N--CA 1.456 -0.131 0 C-N-CA 123.335 0.654 . . . . 0.0 109.915 177.797 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 65.5 t -126.95 131.24 71.15 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.387 0 C-N-CA 123.017 0.527 . . . . 0.0 109.809 178.354 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 30.2 t80 -90.59 134.14 34.6 Favored 'General case' 0 N--CA 1.45 -0.432 0 CA-C-N 115.495 -0.775 . . . . 0.0 109.27 174.862 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 65.1 mt -121.05 85.92 0.97 Allowed 'Isoleucine or valine' 0 N--CA 1.456 -0.166 0 N-CA-C 107.923 -1.139 . . . . 0.0 107.923 -179.767 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -84.46 173.27 49.58 Favored Glycine 0 CA--C 1.523 0.592 0 N-CA-C 111.194 -0.763 . . . . 0.0 111.194 178.387 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 57.3 t30 48.23 48.23 18.86 Favored 'General case' 0 N--CA 1.455 -0.214 0 C-N-CA 123.489 0.716 . . . . 0.0 110.728 -178.437 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 52.2 tp -97.19 144.31 27.14 Favored 'General case' 0 N--CA 1.456 -0.16 0 C-N-CA 123.006 0.522 . . . . 0.0 109.635 179.175 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 63.4 t30 -68.12 -39.11 82.83 Favored 'General case' 0 C--N 1.34 0.16 0 C-N-CA 120.966 -0.294 . . . . 0.0 111.266 -178.473 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 35.5 p 54.63 3.24 0.05 OUTLIER 'General case' 0 N--CA 1.465 0.302 0 C-N-CA 126.28 1.832 . . . . 0.0 115.103 178.655 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 8.1 mp -95.74 -15.63 22.48 Favored 'General case' 0 N--CA 1.454 -0.225 0 C-N-CA 123.311 0.644 . . . . 0.0 111.503 176.284 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 60.1 t -128.15 -22.82 1.56 Allowed 'Isoleucine or valine' 0 N--CA 1.461 0.118 0 C-N-CA 122.815 0.446 . . . . 0.0 110.77 178.94 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 71.0 t -102.54 136.13 36.38 Favored 'Isoleucine or valine' 0 CA--C 1.522 -0.115 0 N-CA-C 109.97 -0.382 . . . . 0.0 109.97 178.396 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 3.6 mppt? -129.82 172.49 11.61 Favored 'General case' 0 N--CA 1.456 -0.148 0 C-N-CA 124.085 0.954 . . . . 0.0 109.413 -179.189 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 11.0 ptmt -66.25 -4.8 8.5 Favored 'General case' 0 C--N 1.333 -0.148 0 C-N-CA 123.696 0.798 . . . . 0.0 112.197 179.664 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 34.2 m -97.89 -0.97 44.01 Favored 'General case' 0 CA--C 1.53 0.2 0 C-N-CA 123.596 0.758 . . . . 0.0 110.732 174.451 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 38.5 m-20 -115.17 -34.63 4.95 Favored 'General case' 0 N--CA 1.453 -0.277 0 C-N-CA 124.015 0.926 . . . . 0.0 110.421 -179.573 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 94.0 t -65.33 -30.48 50.36 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.227 0 N-CA-C 108.917 -0.771 . . . . 0.0 108.917 179.844 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 25.7 pt-20 -80.21 7.06 10.15 Favored 'General case' 0 CA--C 1.531 0.226 0 C-N-CA 122.638 0.375 . . . . 0.0 111.927 178.623 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -125.48 -8.13 6.9 Favored 'General case' 0 CA--C 1.531 0.22 0 C-N-CA 123.222 0.609 . . . . 0.0 110.886 176.664 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 70.5 mt -109.57 -27.83 2.82 Favored 'Isoleucine or valine' 0 C--N 1.34 0.18 0 C-N-CA 123.141 0.577 . . . . 0.0 110.832 178.43 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 37' ' ' PHE . . . . . . . . . . . . . 64.2 m-85 -103.79 -5.48 22.4 Favored 'General case' 0 N--CA 1.455 -0.195 0 C-N-CA 122.587 0.355 . . . . 0.0 111.063 179.747 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 70.0 p -75.47 -14.83 60.45 Favored 'General case' 0 N--CA 1.457 -0.105 0 C-N-CA 122.51 0.324 . . . . 0.0 111.638 -179.985 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 18.6 ptmt -82.35 -11.28 58.68 Favored 'General case' 0 N--CA 1.457 -0.109 0 C-N-CA 123.198 0.599 . . . . 0.0 112.313 179.252 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 40' ' ' TYR . . . . . . . . . . . . . 74.5 m-85 -106.46 -14.55 15.04 Favored 'General case' 0 C--N 1.34 0.172 0 C-N-CA 122.524 0.33 . . . . 0.0 111.292 178.172 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -176.08 162.77 31.88 Favored Glycine 0 CA--C 1.523 0.584 0 N-CA-C 112.43 -0.268 . . . . 0.0 112.43 174.702 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 78.1 tttt -74.76 114.15 12.86 Favored 'General case' 0 N--CA 1.451 -0.381 0 N-CA-C 109.013 -0.736 . . . . 0.0 109.013 177.998 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 43' ' ' ILE . . . . . . . . . . . . . 77.8 mt -82.89 129.59 37.17 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.211 0 N-CA-C 109.848 -0.427 . . . . 0.0 109.848 -177.861 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 33.8 m -114.8 3.9 7.79 Favored 'Isoleucine or valine' 0 C--O 1.231 0.084 0 C-N-CA 123.902 0.881 . . . . 0.0 110.702 179.5 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . -178.72 145.42 6.78 Favored Glycine 0 C--N 1.336 0.536 0 N-CA-C 109.818 -1.313 . . . . 0.0 109.818 177.048 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 46' ' ' CYS . . . . . . . . . . . . . 53.9 t -156.28 146.17 21.16 Favored 'General case' 0 N--CA 1.452 -0.356 0 N-CA-C 109.503 -0.555 . . . . 0.0 109.503 178.23 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 24.4 t -154.37 142.66 20.48 Favored 'General case' 0 N--CA 1.451 -0.424 0 N-CA-C 109.836 -0.431 . . . . 0.0 109.836 175.446 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 48' ' ' VAL . . . . . . . . . . . . . 97.3 t -114.7 146.71 18.82 Favored 'Isoleucine or valine' 0 N--CA 1.456 -0.13 0 N-CA-C 109.176 -0.676 . . . . 0.0 109.176 178.109 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 49' ' ' HIS . . . . . . . . . . . . . 47.4 m80 -132.59 -169.07 2.17 Favored 'General case' 0 N--CA 1.451 -0.422 0 C-N-CA 124.383 1.073 . . . . 0.0 108.26 -177.23 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 60.4 tttm -87.31 116.84 25.68 Favored 'General case' 0 N--CA 1.452 -0.343 0 C-N-CA 120.72 -0.392 . . . . 0.0 109.976 178.808 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 81.58 -9.93 53.15 Favored Glycine 0 CA--C 1.532 1.143 0 CA-C-O 118.907 -0.94 . . . . 0.0 113.537 179.174 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 52.5 p90 -151.01 168.41 24.67 Favored 'General case' 0 CA--C 1.529 0.166 0 CA-C-N 118.906 1.353 . . . . 0.0 111.404 179.077 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -147.77 172.07 14.68 Favored 'General case' 0 N--CA 1.454 -0.227 0 C-N-CA 123.739 0.816 . . . . 0.0 110.341 176.317 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 54' ' ' PHE . . . . . . . . . . . . . 16.5 m-85 -139.31 146.42 40.3 Favored 'General case' 0 N--CA 1.456 -0.172 0 C-N-CA 123.299 0.639 . . . . 0.0 110.948 179.23 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 93.2 t -136.21 136.23 49.38 Favored 'Isoleucine or valine' 0 CA--C 1.516 -0.346 0 C-N-CA 123.608 0.763 . . . . 0.0 109.126 178.179 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 56' ' ' GLN . . . . . . . . . . . . . 63.9 tp60 -115.66 129.47 56.5 Favored 'General case' 0 N--CA 1.45 -0.456 0 N-CA-C 109.168 -0.678 . . . . 0.0 109.168 -177.339 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 57' ' ' TYR . . . . . . . . . . . . . 38.0 m-85 -111.49 176.03 5.19 Favored 'General case' 0 N--CA 1.455 -0.206 0 C-N-CA 123.334 0.654 . . . . 0.0 110.894 179.642 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 58' ' ' VAL . . . . . . . . . . . . . 72.1 t -71.82 -31.53 41.52 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.193 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.448 178.787 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 59' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -155.56 169.3 24.6 Favored 'General case' 0 C--N 1.339 0.142 0 N-CA-C 112.405 0.52 . . . . 0.0 112.405 178.911 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 75.9 tt0 -59.58 -31.08 69.12 Favored 'General case' 0 N--CA 1.457 -0.117 0 C-N-CA 123.393 0.677 . . . . 0.0 112.103 -177.795 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 19.3 tpp180 -59.32 -39.14 82.15 Favored 'General case' 0 C--O 1.231 0.082 0 CA-C-N 118.92 0.782 . . . . 0.0 110.11 -179.553 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 62' ' ' ASN . . . . . . . . . . . . . 18.6 m120 -70.74 -25.49 62.94 Favored 'General case' 0 N--CA 1.452 -0.349 0 O-C-N 122.254 -0.279 . . . . 0.0 111.04 -179.968 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -74.54 -37.17 63.09 Favored 'General case' 0 N--CA 1.452 -0.372 0 N-CA-C 110.285 -0.265 . . . . 0.0 110.285 178.27 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 64' ' ' ARG . . . . . . . . . . . . . 37.2 mmt180 -69.28 -26.49 64.77 Favored 'General case' 0 C--O 1.227 -0.082 0 N-CA-C 110.515 -0.18 . . . . 0.0 110.515 178.899 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -78.7 -33.0 47.17 Favored 'General case' 0 N--CA 1.454 -0.239 0 C-N-CA 121.481 -0.088 . . . . 0.0 111.119 -179.275 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -83.31 -34.29 25.73 Favored 'General case' 0 N--CA 1.452 -0.353 0 O-C-N 122.221 -0.299 . . . . 0.0 111.536 179.418 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 67' ' ' VAL . . . . . . . . . . . . . 54.4 t -65.75 -31.47 53.91 Favored 'Isoleucine or valine' 0 C--O 1.227 -0.1 0 N-CA-C 109.794 -0.447 . . . . 0.0 109.794 175.483 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -94.1 -10.26 33.91 Favored 'General case' 0 CA--C 1.529 0.169 0 N-CA-C 112.414 0.524 . . . . 0.0 112.414 177.635 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . -102.63 -12.87 31.59 Favored Glycine 0 CA--C 1.533 1.204 0 CA-C-O 119.292 -0.727 . . . . 0.0 113.969 -177.401 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 25.5 mm-40 -134.16 -19.52 1.96 Allowed 'General case' 0 CA--C 1.53 0.199 0 CA-C-N 118.514 1.157 . . . . 0.0 112.32 -174.561 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 20.5 t70 -61.41 117.23 5.41 Favored 'General case' 0 N--CA 1.455 -0.214 0 CA-C-N 119.209 0.913 . . . . 0.0 110.039 178.23 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . 88.02 10.18 69.54 Favored Glycine 0 C--N 1.338 0.683 0 N-CA-C 111.012 -0.835 . . . . 0.0 111.012 178.826 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 73' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -76.78 168.44 20.08 Favored 'General case' 0 N--CA 1.449 -0.51 0 N-CA-C 106.359 -1.719 . . . . 0.0 106.359 171.848 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 74' ' ' MET . . . . . . . . . . . . . 33.7 ttm -113.48 121.91 45.7 Favored 'General case' 0 N--CA 1.448 -0.556 0 N-CA-C 109.477 -0.564 . . . . 0.0 109.477 -176.784 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 75' ' ' ILE . . . . . . . . . . . . . 0.3 OUTLIER -129.03 135.88 61.01 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.39 0 CA-C-N 116.111 -0.495 . . . . 0.0 109.85 179.918 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . 54.57 17.53 1.68 Allowed 'General case' 0 CA--C 1.536 0.425 0 N-CA-C 112.158 0.429 . . . . 0.0 112.158 -174.136 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 88.86 5.01 74.61 Favored Glycine 0 CA--C 1.528 0.872 0 CA-C-O 119.684 -0.509 . . . . 0.0 112.193 -179.122 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 78' ' ' GLN . . . . . . . . . . . . . 1.0 OUTLIER -124.49 132.03 53.49 Favored 'General case' 0 N--CA 1.45 -0.448 0 CA-C-N 117.864 0.832 . . . . 0.0 110.206 -179.192 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 79' ' ' VAL . . . . . . . . . . . . . 47.4 t -64.0 141.3 18.35 Favored 'Isoleucine or valine' 0 C--O 1.228 -0.068 0 C-N-CA 124.199 1.0 . . . . 0.0 110.41 -178.726 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 32.4 mt -95.65 156.18 16.43 Favored 'General case' 0 C--O 1.233 0.202 0 CA-C-O 120.648 0.261 . . . . 0.0 111.593 176.867 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 81' ' ' ASP . . . . . . . . . . . . . 4.3 m-20 -124.37 96.97 5.11 Favored 'General case' 0 N--CA 1.455 -0.217 0 N-CA-C 107.608 -1.256 . . . . 0.0 107.608 176.833 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 82' ' ' ILE . . . . . . . . . . . . . 63.9 mt -112.07 141.79 26.46 Favored 'Isoleucine or valine' 0 C--O 1.231 0.12 0 C-N-CA 123.467 0.707 . . . . 0.0 110.106 -170.268 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 83' ' ' ASN . . . . . . . . . . . . . 54.3 t30 -154.46 158.11 39.43 Favored 'General case' 0 N--CA 1.455 -0.212 0 CA-C-N 116.562 -0.29 . . . . 0.0 111.167 -175.334 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 84' ' ' LEU . . . . . . . . . . . . . 1.2 tm? -60.67 128.43 36.54 Favored 'General case' 0 N--CA 1.449 -0.49 0 N-CA-C 107.972 -1.121 . . . . 0.0 107.972 172.871 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.532 0.277 0 N-CA-C 114.302 1.223 . . . . 0.0 114.302 -172.063 . . . . . . . . 0 0 . 1 . 017 nuclear build core ' A' A ' 98' ' ' LYS . . . . . . . . . . . . . 4.2 mptp? . . . . . 0 CA--C 1.53 0.197 0 N-CA-C 111.423 0.157 . . . . 0.0 111.423 . . . . . . . . . 0 0 . 1 . 017 nuclear build core ' A' A ' 99' ' ' ARG . . . . . . . . . . . . . 63.2 mtt85 -120.75 170.35 9.53 Favored 'General case' 0 CA--C 1.52 -0.189 0 C-N-CA 123.946 0.898 . . . . 0.0 110.818 178.419 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 7.8 t -71.03 -11.78 61.16 Favored 'General case' 0 N--CA 1.453 -0.307 0 CA-C-N 115.968 -0.56 . . . . 0.0 111.497 -176.793 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 101' ' ' ALA . . . . . . . . . . . . . . . 55.02 9.31 0.3 Allowed 'General case' 0 CA--C 1.533 0.326 0 C-N-CA 124.458 1.103 . . . . 0.0 113.153 -175.064 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -148.32 8.19 0.81 Allowed 'General case' 0 CA--C 1.532 0.262 0 C-N-CA 123.469 0.708 . . . . 0.0 111.274 178.668 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 12.0 pt-20 -72.81 -5.53 38.67 Favored 'General case' 0 CA--C 1.528 0.134 0 C-N-CA 123.386 0.674 . . . . 0.0 112.369 -177.237 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 104' ' ' MET . . . . . . . . . . . . . 71.3 mtm -101.86 6.31 41.43 Favored 'General case' 0 N--CA 1.454 -0.254 0 C-N-CA 123.485 0.714 . . . . 0.0 111.118 178.84 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 105' ' ' TYR . . . . . . . . . . . . . 50.0 m-85 -133.87 4.8 3.58 Favored 'General case' 0 CA--C 1.532 0.265 0 C-N-CA 123.019 0.527 . . . . 0.0 111.381 -178.019 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 106' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.528 0.844 0 N-CA-C 111.01 -0.836 . . . . 0.0 111.01 179.833 . . . . . . . . 0 0 . 1 . 018 nuclear build core ' A' A ' 4' ' ' ASN . . . . . . . . . . . . . 55.7 t30 . . . . . 0 CA--C 1.533 0.318 0 CA-C-O 120.598 0.237 . . . . 0.0 110.987 . . . . . . . . . 0 0 . 1 . 018 nuclear build core ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 86.8 t -92.36 132.83 35.62 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.194 0 C-N-CA 122.855 0.462 . . . . 0.0 111.393 -175.322 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 56.7 p -146.53 5.54 0.93 Allowed 'General case' 0 C--O 1.227 -0.127 0 C-N-CA 123.62 0.768 . . . . 0.0 111.584 179.169 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 7' ' ' ASN . . . . . . . . . . . . . 64.8 t-20 . . . . . 0 N--CA 1.455 -0.182 0 CA-C-N 119.214 0.916 . . . . 0.0 110.927 -178.228 . . . . . . . . 0 0 . 1 . 018 nuclear build core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 14.6 m . . . . . 0 N--CA 1.455 -0.183 0 N-CA-C 111.654 0.242 . . . . 0.0 111.654 . . . . . . . . . 0 0 . 1 . 018 nuclear build core ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 27.7 ttp-105 -105.18 152.61 22.62 Favored 'General case' 0 C--N 1.338 0.093 0 C-N-CA 123.607 0.763 . . . . 0.0 110.375 -179.445 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 60.0 t -128.89 132.51 67.4 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.344 0 C-N-CA 123.214 0.606 . . . . 0.0 109.99 177.532 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 64.7 t80 -92.76 138.38 31.54 Favored 'General case' 0 N--CA 1.45 -0.458 0 C-N-CA 123.73 0.812 . . . . 0.0 109.61 174.114 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 57.8 mt -123.77 83.4 0.82 Allowed 'Isoleucine or valine' 0 N--CA 1.454 -0.228 0 N-CA-C 107.824 -1.176 . . . . 0.0 107.824 179.023 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -85.61 176.59 49.68 Favored Glycine 0 CA--C 1.524 0.615 0 N-CA-C 110.074 -1.211 . . . . 0.0 110.074 177.481 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 54.0 t30 48.81 46.45 21.8 Favored 'General case' 0 N--CA 1.45 -0.472 0 C-N-CA 123.282 0.633 . . . . 0.0 110.341 -176.678 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 57.2 tp -100.33 145.58 27.98 Favored 'General case' 0 N--CA 1.456 -0.155 0 C-N-CA 123.468 0.707 . . . . 0.0 109.554 -179.977 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 65.0 t30 -71.45 -38.65 71.29 Favored 'General case' 0 CA--C 1.53 0.196 0 O-C-N 122.326 -0.234 . . . . 0.0 111.199 -177.294 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 46.9 p 53.99 -1.74 0.02 OUTLIER 'General case' 0 N--CA 1.467 0.402 0 C-N-CA 127.195 2.198 . . . . 0.0 115.339 178.725 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 87.2 mt -87.27 -20.86 26.25 Favored 'General case' 0 N--CA 1.451 -0.394 0 C-N-CA 123.368 0.667 . . . . 0.0 111.743 175.064 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 60.6 t -121.66 -25.57 2.33 Favored 'Isoleucine or valine' 0 CA--C 1.528 0.117 0 CA-C-O 119.475 -0.297 . . . . 0.0 111.44 -179.158 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 49.6 t -101.64 145.6 11.33 Favored 'Isoleucine or valine' 0 N--CA 1.457 -0.077 0 CA-C-N 118.363 0.528 . . . . 0.0 110.246 178.979 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 8.2 mptt -134.88 173.14 12.03 Favored 'General case' 0 N--CA 1.46 0.031 0 C-N-CA 123.302 0.641 . . . . 0.0 110.154 -178.4 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 10.8 ptmt -68.1 -5.27 16.85 Favored 'General case' 0 CA--C 1.528 0.122 0 C-N-CA 123.443 0.697 . . . . 0.0 112.079 178.857 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 37.2 m -97.83 0.63 47.1 Favored 'General case' 0 C--N 1.332 -0.169 0 C-N-CA 123.734 0.814 . . . . 0.0 110.549 174.036 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 19.8 m-20 -117.93 -33.66 4.4 Favored 'General case' 0 N--CA 1.453 -0.323 0 C-N-CA 123.754 0.821 . . . . 0.0 110.486 179.983 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 85.9 t -64.69 -31.21 52.77 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.192 0 N-CA-C 108.938 -0.764 . . . . 0.0 108.938 178.695 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 25.9 pt-20 -79.65 7.83 7.68 Favored 'General case' 0 CA--C 1.532 0.266 0 N-CA-C 111.913 0.338 . . . . 0.0 111.913 178.381 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -126.09 -8.21 6.54 Favored 'General case' 0 N--CA 1.451 -0.382 0 C-N-CA 123.252 0.621 . . . . 0.0 110.715 176.736 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 77.9 mt -109.98 -27.68 2.83 Favored 'Isoleucine or valine' 0 CA--C 1.529 0.14 0 C-N-CA 123.311 0.644 . . . . 0.0 110.622 179.052 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 37' ' ' PHE . . . . . . . . . . . . . 60.8 m-85 -103.87 -5.79 22.0 Favored 'General case' 0 N--CA 1.454 -0.243 0 C-N-CA 122.808 0.443 . . . . 0.0 111.132 179.501 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 69.9 p -75.98 -13.73 60.24 Favored 'General case' 0 C--O 1.232 0.173 0 C-N-CA 122.457 0.303 . . . . 0.0 111.51 -179.976 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 13.1 ptmm? -83.64 -9.91 58.57 Favored 'General case' 0 CA--C 1.53 0.177 0 C-N-CA 123.124 0.569 . . . . 0.0 112.182 179.35 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 40' ' ' TYR . . . . . . . . . . . . . 84.0 m-85 -106.25 -14.89 14.99 Favored 'General case' 0 C--N 1.338 0.094 0 C-N-CA 122.718 0.407 . . . . 0.0 111.177 177.207 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -176.82 162.73 31.27 Favored Glycine 0 CA--C 1.524 0.595 0 N-CA-C 111.852 -0.499 . . . . 0.0 111.852 174.451 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 78.4 tttt -74.07 113.84 11.71 Favored 'General case' 0 N--CA 1.454 -0.231 0 N-CA-C 108.875 -0.787 . . . . 0.0 108.875 177.859 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 43' ' ' ILE . . . . . . . . . . . . . 73.1 mt -82.98 130.16 36.2 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.236 0 N-CA-C 109.87 -0.419 . . . . 0.0 109.87 -178.378 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 33.5 m -109.07 -5.28 10.86 Favored 'Isoleucine or valine' 0 N--CA 1.457 -0.082 0 C-N-CA 123.443 0.697 . . . . 0.0 110.907 179.302 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . -173.9 146.51 8.79 Favored Glycine 0 C--N 1.336 0.538 0 N-CA-C 109.884 -1.287 . . . . 0.0 109.884 177.097 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 46' ' ' CYS . . . . . . . . . . . . . 53.9 t -152.98 145.26 23.96 Favored 'General case' 0 N--CA 1.452 -0.369 0 C-N-CA 122.638 0.375 . . . . 0.0 110.086 179.404 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 27.1 t -151.41 142.6 23.24 Favored 'General case' 0 N--CA 1.45 -0.45 0 N-CA-C 109.867 -0.42 . . . . 0.0 109.867 176.676 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 48' ' ' VAL . . . . . . . . . . . . . 99.3 t -118.93 146.25 23.82 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.34 0 N-CA-C 108.881 -0.785 . . . . 0.0 108.881 177.92 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 49' ' ' HIS . . . . . . . . . . . . . 45.7 m-70 -132.13 -167.55 1.9 Allowed 'General case' 0 N--CA 1.452 -0.342 0 N-CA-C 107.901 -1.148 . . . . 0.0 107.901 -176.789 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 30.8 mmmt -85.47 117.63 24.5 Favored 'General case' 0 N--CA 1.455 -0.197 0 C-N-CA 120.326 -0.55 . . . . 0.0 109.674 177.257 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 79.51 -11.19 33.23 Favored Glycine 0 CA--C 1.532 1.13 0 C-N-CA 123.769 0.7 . . . . 0.0 113.898 177.769 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 49.8 p90 -146.66 165.56 29.21 Favored 'General case' 0 CA--C 1.529 0.158 0 CA-C-N 118.802 1.301 . . . . 0.0 111.584 178.83 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -147.71 171.04 16.27 Favored 'General case' 0 CA--C 1.53 0.184 0 C-N-CA 123.416 0.686 . . . . 0.0 110.8 177.374 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 54' ' ' PHE . . . . . . . . . . . . . 13.8 m-85 -139.14 147.93 42.55 Favored 'General case' 0 N--CA 1.454 -0.256 0 C-N-CA 123.987 0.915 . . . . 0.0 110.848 -179.647 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 97.7 t -137.99 138.09 44.05 Favored 'Isoleucine or valine' 0 CA--C 1.52 -0.188 0 C-N-CA 123.748 0.819 . . . . 0.0 109.11 177.819 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 56' ' ' GLN . . . . . . . . . . . . . 69.4 tp60 -117.88 132.3 56.44 Favored 'General case' 0 N--CA 1.452 -0.352 0 N-CA-C 109.096 -0.705 . . . . 0.0 109.096 -178.792 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 57' ' ' TYR . . . . . . . . . . . . . 42.8 m-85 -113.54 173.94 6.17 Favored 'General case' 0 N--CA 1.454 -0.242 0 C-N-CA 123.318 0.647 . . . . 0.0 111.129 -179.405 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 58' ' ' VAL . . . . . . . . . . . . . 74.2 t -70.28 -30.86 44.99 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.24 0 C-N-CA 123.02 0.528 . . . . 0.0 110.489 178.337 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 59' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -156.27 166.3 33.84 Favored 'General case' 0 N--CA 1.455 -0.189 0 CA-C-N 118.088 0.403 . . . . 0.0 112.019 177.024 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 83.5 tt0 -55.47 -32.09 62.52 Favored 'General case' 0 CA--C 1.529 0.171 0 C-N-CA 123.711 0.805 . . . . 0.0 112.575 -179.713 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 20.3 tpp85 -59.54 -38.19 80.4 Favored 'General case' 0 C--O 1.231 0.085 0 CA-C-N 119.008 0.822 . . . . 0.0 110.305 -179.108 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 62' ' ' ASN . . . . . . . . . . . . . 18.8 m120 -72.05 -25.0 61.62 Favored 'General case' 0 N--CA 1.451 -0.399 0 O-C-N 122.13 -0.356 . . . . 0.0 111.012 179.767 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -75.15 -37.26 61.39 Favored 'General case' 0 N--CA 1.453 -0.287 0 N-CA-C 110.069 -0.345 . . . . 0.0 110.069 178.136 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 64' ' ' ARG . . . . . . . . . . . . . 40.4 mmt180 -69.26 -26.33 64.71 Favored 'General case' 0 N--CA 1.457 -0.093 0 N-CA-C 110.157 -0.312 . . . . 0.0 110.157 178.758 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -78.15 -32.84 50.5 Favored 'General case' 0 N--CA 1.454 -0.248 0 CA-C-O 119.992 -0.051 . . . . 0.0 110.904 -179.431 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -83.03 -35.27 25.91 Favored 'General case' 0 N--CA 1.451 -0.418 0 O-C-N 122.197 -0.315 . . . . 0.0 111.489 179.114 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 67' ' ' VAL . . . . . . . . . . . . . 51.7 t -64.72 -30.49 50.43 Favored 'Isoleucine or valine' 0 C--O 1.227 -0.102 0 O-C-N 122.013 -0.429 . . . . 0.0 109.979 175.375 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -96.07 -9.49 30.74 Favored 'General case' 0 CA--C 1.531 0.213 0 N-CA-C 112.4 0.519 . . . . 0.0 112.4 178.027 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . -103.0 -13.74 28.44 Favored Glycine 0 CA--C 1.532 1.098 0 CA-C-O 119.308 -0.718 . . . . 0.0 113.744 -177.538 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 26.4 mm-40 -133.12 -18.85 2.27 Favored 'General case' 0 N--CA 1.465 0.286 0 CA-C-N 118.368 1.084 . . . . 0.0 112.318 -174.441 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 23.7 t70 -62.14 118.25 7.11 Favored 'General case' 0 N--CA 1.453 -0.275 0 CA-C-N 118.964 0.802 . . . . 0.0 109.653 178.485 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . 87.53 10.08 71.1 Favored Glycine 0 C--N 1.338 0.67 0 N-CA-C 111.101 -0.8 . . . . 0.0 111.101 179.235 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 73' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -76.93 168.34 20.26 Favored 'General case' 0 N--CA 1.45 -0.473 0 N-CA-C 106.328 -1.73 . . . . 0.0 106.328 171.628 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 74' ' ' MET . . . . . . . . . . . . . 35.9 ttm -114.18 121.87 45.08 Favored 'General case' 0 N--CA 1.45 -0.448 0 N-CA-C 109.263 -0.643 . . . . 0.0 109.263 -175.95 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 75' ' ' ILE . . . . . . . . . . . . . 0.2 OUTLIER -129.87 136.14 59.61 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.388 0 N-CA-C 109.539 -0.541 . . . . 0.0 109.539 179.624 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . 54.3 17.9 1.67 Allowed 'General case' 0 CA--C 1.533 0.319 0 C-N-CA 123.449 0.699 . . . . 0.0 111.91 -174.134 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 89.18 4.0 75.05 Favored Glycine 0 CA--C 1.526 0.765 0 C-N-CA 123.216 0.436 . . . . 0.0 112.066 -179.562 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 78' ' ' GLN . . . . . . . . . . . . . 1.0 OUTLIER -123.26 130.86 53.32 Favored 'General case' 0 N--CA 1.451 -0.392 0 CA-C-N 117.699 0.75 . . . . 0.0 109.905 -179.087 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 79' ' ' VAL . . . . . . . . . . . . . 48.1 t -63.6 139.87 20.59 Favored 'Isoleucine or valine' 0 CA--C 1.522 -0.102 0 C-N-CA 124.15 0.98 . . . . 0.0 110.278 -179.336 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 31.2 mt -94.22 155.72 16.9 Favored 'General case' 0 C--O 1.231 0.095 0 CA-C-O 120.846 0.355 . . . . 0.0 111.356 177.567 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 81' ' ' ASP . . . . . . . . . . . . . 27.9 m-20 -124.38 101.51 7.2 Favored 'General case' 0 N--CA 1.453 -0.314 0 N-CA-C 107.632 -1.247 . . . . 0.0 107.632 174.881 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 82' ' ' ILE . . . . . . . . . . . . . 61.4 mt -114.16 138.48 43.95 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.344 0 CA-C-N 115.537 -0.756 . . . . 0.0 109.454 -170.195 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 83' ' ' ASN . . . . . . . . . . . . . 8.1 t30 -155.53 158.61 38.75 Favored 'General case' 0 N--CA 1.454 -0.238 0 N-CA-C 109.427 -0.583 . . . . 0.0 109.427 -174.754 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 84' ' ' LEU . . . . . . . . . . . . . 7.1 tp -60.6 142.58 55.35 Favored 'General case' 0 N--CA 1.451 -0.408 0 N-CA-C 109.4 -0.592 . . . . 0.0 109.4 174.688 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.533 0.314 0 N-CA-C 113.732 1.012 . . . . 0.0 113.732 -175.861 . . . . . . . . 0 0 . 1 . 018 nuclear build core ' A' A ' 98' ' ' LYS . . . . . 0.538 ' HA ' ' HE2' ' A' ' 98' ' ' LYS . 10.7 mmpt? . . . . . 0 CA--C 1.53 0.21 0 N-CA-C 112.481 0.549 . . . . 0.0 112.481 . . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 99' ' ' ARG . . . . . . . . . . . . . 10.9 tpt180 -147.38 171.08 16.03 Favored 'General case' 0 N--CA 1.456 -0.149 0 C-N-CA 123.486 0.714 . . . . 0.0 109.471 -177.954 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 73.8 m -63.01 -16.41 59.71 Favored 'General case' 0 CA--C 1.527 0.094 0 C-N-CA 123.17 0.588 . . . . 0.0 112.07 179.112 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 101' ' ' ALA . . . . . . . . . . . . . . . 51.8 16.67 0.52 Allowed 'General case' 0 CA--C 1.535 0.394 0 C-N-CA 123.91 0.884 . . . . 0.0 112.694 -176.493 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -148.68 8.33 0.77 Allowed 'General case' 0 N--CA 1.455 -0.198 0 C-N-CA 123.13 0.572 . . . . 0.0 111.609 -177.889 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 16.7 pt-20 -74.6 -2.91 28.11 Favored 'General case' 0 CA--C 1.531 0.24 0 N-CA-C 112.643 0.608 . . . . 0.0 112.643 -176.098 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 104' ' ' MET . . . . . . . . . . . . . 25.3 ptp -126.79 8.88 6.91 Favored 'General case' 0 CA--C 1.532 0.272 0 C-N-CA 123.145 0.578 . . . . 0.0 112.431 -176.894 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 105' ' ' TYR . . . . . . . . . . . . . 38.7 m-85 -124.26 -9.34 7.56 Favored 'General case' 0 CA--C 1.527 0.093 0 C-N-CA 122.64 0.376 . . . . 0.0 111.466 179.494 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 106' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.526 0.761 0 N-CA-C 111.468 -0.653 . . . . 0.0 111.468 179.337 . . . . . . . . 0 0 . 1 . 019 nuclear build core ' A' A ' 4' ' ' ASN . . . . . . . . . . . . . 3.8 p-10 . . . . . 0 CA--C 1.531 0.239 0 N-CA-C 111.419 0.155 . . . . 0.0 111.419 . . . . . . . . . 0 0 . 1 . 019 nuclear build core ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 99.6 t -97.55 135.91 30.25 Favored 'Isoleucine or valine' 0 C--O 1.232 0.149 0 C-N-CA 122.731 0.412 . . . . 0.0 111.25 -176.38 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 76.5 p -147.2 5.09 0.83 Allowed 'General case' 0 CA--C 1.53 0.21 0 C-N-CA 123.671 0.788 . . . . 0.0 111.47 179.191 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 7' ' ' ASN . . . . . . . . . . . . . 61.5 t-20 . . . . . 0 N--CA 1.454 -0.26 0 O-C-N 121.324 -0.86 . . . . 0.0 111.025 -177.391 . . . . . . . . 0 0 . 1 . 019 nuclear build core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 77.8 p . . . . . 0 CA--C 1.53 0.196 0 N-CA-C 111.344 0.128 . . . . 0.0 111.344 . . . . . . . . . 0 0 . 1 . 019 nuclear build core ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 30.9 ttp-105 -103.22 153.29 20.52 Favored 'General case' 0 N--CA 1.456 -0.135 0 C-N-CA 123.695 0.798 . . . . 0.0 109.971 177.945 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 83.3 t -129.3 131.27 67.67 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.442 0 C-N-CA 123.075 0.55 . . . . 0.0 110.017 178.509 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 53.7 t80 -89.37 138.36 31.51 Favored 'General case' 0 N--CA 1.45 -0.46 0 C-N-CA 123.523 0.729 . . . . 0.0 109.503 174.205 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 64.4 mt -124.16 85.86 0.99 Allowed 'Isoleucine or valine' 0 N--CA 1.454 -0.228 0 N-CA-C 107.745 -1.206 . . . . 0.0 107.745 179.534 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -85.69 173.26 47.25 Favored Glycine 0 CA--C 1.523 0.543 0 N-CA-C 110.278 -1.129 . . . . 0.0 110.278 177.672 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 47.9 t30 50.01 49.06 21.02 Favored 'General case' 0 N--CA 1.453 -0.321 0 C-N-CA 123.048 0.539 . . . . 0.0 110.369 -178.415 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 57.6 tp -101.57 144.95 29.68 Favored 'General case' 0 N--CA 1.453 -0.315 0 N-CA-C 109.279 -0.637 . . . . 0.0 109.279 178.733 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 63.5 t30 -70.15 -36.75 74.96 Favored 'General case' 0 N--CA 1.455 -0.187 0 O-C-N 122.191 -0.318 . . . . 0.0 111.463 -177.532 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 47.4 p 51.21 9.47 0.06 Allowed 'General case' 0 N--CA 1.464 0.261 0 C-N-CA 126.205 1.802 . . . . 0.0 115.229 179.003 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 3.4 mm? -104.16 -14.18 15.95 Favored 'General case' 0 N--CA 1.456 -0.162 0 C-N-CA 123.555 0.742 . . . . 0.0 110.963 176.18 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 60.0 t -127.78 -20.31 2.0 Favored 'Isoleucine or valine' 0 CA--C 1.53 0.187 0 C-N-CA 123.148 0.579 . . . . 0.0 110.421 178.799 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 57.3 t -106.86 143.54 17.41 Favored 'Isoleucine or valine' 0 C--N 1.34 0.182 0 N-CA-C 109.896 -0.409 . . . . 0.0 109.896 177.686 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -136.23 173.32 11.84 Favored 'General case' 0 N--CA 1.456 -0.155 0 C-N-CA 123.904 0.882 . . . . 0.0 109.78 -178.561 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 12.4 ptmt -65.11 -7.85 14.08 Favored 'General case' 0 CA--C 1.53 0.195 0 C-N-CA 123.723 0.809 . . . . 0.0 112.068 179.04 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 38.9 m -97.66 -0.67 45.18 Favored 'General case' 0 CA--C 1.529 0.157 0 C-N-CA 123.291 0.636 . . . . 0.0 110.972 175.927 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 25.5 m-20 -115.44 -34.9 4.77 Favored 'General case' 0 N--CA 1.452 -0.358 0 C-N-CA 124.222 1.009 . . . . 0.0 110.205 179.265 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 81.9 t -62.69 -32.06 54.28 Favored 'Isoleucine or valine' 0 N--CA 1.456 -0.155 0 N-CA-C 109.589 -0.522 . . . . 0.0 109.589 177.648 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 25.3 pt-20 -80.53 7.56 9.67 Favored 'General case' 0 CA--C 1.532 0.259 0 O-C-N 122.247 -0.283 . . . . 0.0 111.656 178.679 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -126.05 -7.03 6.59 Favored 'General case' 0 N--CA 1.455 -0.193 0 C-N-CA 123.176 0.59 . . . . 0.0 111.195 177.398 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 70.2 mt -110.91 -28.83 2.52 Favored 'Isoleucine or valine' 0 C--N 1.339 0.133 0 C-N-CA 122.929 0.491 . . . . 0.0 110.777 178.486 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 37' ' ' PHE . . . . . . . . . . . . . 67.4 m-85 -101.3 -8.72 21.85 Favored 'General case' 0 N--CA 1.453 -0.283 0 C-N-CA 122.738 0.415 . . . . 0.0 110.943 179.934 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 69.1 p -72.59 -14.22 61.57 Favored 'General case' 0 CA--C 1.527 0.062 0 C-N-CA 122.607 0.363 . . . . 0.0 111.674 -178.965 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 18.3 ptmt -83.74 -10.8 57.87 Favored 'General case' 0 CA--C 1.53 0.207 0 C-N-CA 123.041 0.536 . . . . 0.0 112.186 179.123 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 40' ' ' TYR . . . . . . . . . . . . . 76.6 m-85 -106.05 -15.24 14.94 Favored 'General case' 0 N--CA 1.461 0.102 0 C-N-CA 122.263 0.225 . . . . 0.0 111.195 177.781 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -175.78 161.29 29.96 Favored Glycine 0 C--N 1.336 0.579 0 N-CA-C 111.971 -0.452 . . . . 0.0 111.971 174.586 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 78.2 tttt -73.01 114.21 10.91 Favored 'General case' 0 N--CA 1.452 -0.339 0 N-CA-C 108.651 -0.87 . . . . 0.0 108.651 177.584 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 43' ' ' ILE . . . . . . . . . . . . . 78.4 mt -83.39 128.65 38.57 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.339 0 N-CA-C 109.88 -0.415 . . . . 0.0 109.88 -178.461 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 34.2 m -109.06 -9.11 11.29 Favored 'Isoleucine or valine' 0 C--N 1.335 -0.06 0 C-N-CA 123.244 0.618 . . . . 0.0 110.879 179.138 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . -167.95 148.71 13.11 Favored Glycine 0 C--N 1.338 0.639 0 N-CA-C 109.844 -1.302 . . . . 0.0 109.844 178.098 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 46' ' ' CYS . . . . . . . . . . . . . 20.8 p -151.45 152.75 33.46 Favored 'General case' 0 N--CA 1.45 -0.43 0 N-CA-C 109.859 -0.422 . . . . 0.0 109.859 179.165 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 31.9 t -158.46 135.36 9.75 Favored 'General case' 0 N--CA 1.452 -0.356 0 N-CA-C 109.778 -0.452 . . . . 0.0 109.778 176.188 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 48' ' ' VAL . . . . . . . . . . . . . 99.7 t -111.7 149.56 14.33 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.24 0 N-CA-C 109.218 -0.66 . . . . 0.0 109.218 176.418 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 49' ' ' HIS . . . . . . . . . . . . . 51.0 m-70 -135.17 -168.36 2.17 Favored 'General case' 0 N--CA 1.45 -0.452 0 N-CA-C 107.87 -1.159 . . . . 0.0 107.87 -178.72 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 75.4 mmtt -85.67 118.66 25.31 Favored 'General case' 0 N--CA 1.456 -0.153 0 N-CA-C 109.555 -0.535 . . . . 0.0 109.555 176.448 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 78.73 -13.37 18.23 Favored Glycine 0 CA--C 1.53 1.013 0 C-N-CA 123.584 0.612 . . . . 0.0 114.121 178.843 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 50.1 p90 -144.76 165.45 28.05 Favored 'General case' 0 CA--C 1.529 0.14 0 CA-C-N 118.881 1.34 . . . . 0.0 111.784 179.04 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -147.52 171.97 14.71 Favored 'General case' 0 CA--C 1.533 0.291 0 C-N-CA 123.577 0.751 . . . . 0.0 110.77 177.101 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 54' ' ' PHE . . . . . . . . . . . . . 13.7 m-85 -140.45 145.85 37.51 Favored 'General case' 0 N--CA 1.453 -0.305 0 C-N-CA 124.204 1.001 . . . . 0.0 110.739 -179.313 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 97.2 t -137.05 137.2 47.01 Favored 'Isoleucine or valine' 0 CA--C 1.518 -0.263 0 C-N-CA 123.744 0.818 . . . . 0.0 109.223 178.48 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 56' ' ' GLN . . . . . . . . . . . . . 62.0 tp60 -116.93 130.64 56.83 Favored 'General case' 0 N--CA 1.45 -0.463 0 N-CA-C 109.387 -0.598 . . . . 0.0 109.387 -177.185 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 57' ' ' TYR . . . . . . . . . . . . . 43.4 m-85 -111.7 176.62 4.95 Favored 'General case' 0 N--CA 1.454 -0.25 0 C-N-CA 123.596 0.758 . . . . 0.0 110.571 179.742 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 58' ' ' VAL . . . . . . . . . . . . . 77.7 t -72.28 -31.21 38.15 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.286 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.588 178.323 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 59' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -156.29 168.86 26.02 Favored 'General case' 0 C--N 1.341 0.206 0 N-CA-C 112.108 0.41 . . . . 0.0 112.108 178.986 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 76.4 tt0 -58.91 -31.03 68.27 Favored 'General case' 0 N--CA 1.457 -0.089 0 C-N-CA 123.415 0.686 . . . . 0.0 112.265 -178.403 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 19.3 tpp180 -59.38 -38.15 79.76 Favored 'General case' 0 CA--C 1.529 0.156 0 CA-C-N 118.913 0.779 . . . . 0.0 110.021 -179.612 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 62' ' ' ASN . . . . . . . . . . . . . 19.8 m120 -71.66 -24.96 61.93 Favored 'General case' 0 N--CA 1.451 -0.408 0 C-N-CA 120.925 -0.31 . . . . 0.0 111.2 179.215 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -75.71 -37.55 59.37 Favored 'General case' 0 N--CA 1.453 -0.315 0 O-C-N 122.18 -0.325 . . . . 0.0 110.286 178.412 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 64' ' ' ARG . . . . . . . . . . . . . 40.1 mmt180 -68.22 -27.43 66.37 Favored 'General case' 0 CA--C 1.523 -0.068 0 N-CA-C 109.959 -0.385 . . . . 0.0 109.959 178.67 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -77.46 -34.02 54.55 Favored 'General case' 0 N--CA 1.455 -0.223 0 CA-C-N 117.553 0.16 . . . . 0.0 110.674 -179.174 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -82.87 -35.47 26.21 Favored 'General case' 0 N--CA 1.454 -0.255 0 O-C-N 122.106 -0.371 . . . . 0.0 111.597 179.705 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 67' ' ' VAL . . . . . . . . . . . . . 53.7 t -65.11 -30.39 50.19 Favored 'Isoleucine or valine' 0 C--N 1.334 -0.09 0 O-C-N 122.134 -0.354 . . . . 0.0 110.09 176.226 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -96.07 -9.73 30.14 Favored 'General case' 0 CA--C 1.531 0.234 0 N-CA-C 112.145 0.424 . . . . 0.0 112.145 177.521 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . -102.51 -12.8 32.07 Favored Glycine 0 CA--C 1.528 0.868 0 CA-C-O 119.288 -0.729 . . . . 0.0 113.649 -177.307 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 70' ' ' GLU . . . . . 0.407 ' CD ' ' HE ' ' A' ' 73' ' ' ARG . 24.0 mm-40 -133.99 -19.21 2.02 Favored 'General case' 0 N--CA 1.462 0.161 0 CA-C-N 118.655 1.227 . . . . 0.0 112.248 -174.984 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 22.2 t70 -61.4 117.18 5.34 Favored 'General case' 0 N--CA 1.455 -0.185 0 CA-C-N 119.099 0.863 . . . . 0.0 109.993 178.419 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . 87.99 10.07 69.83 Favored Glycine 0 C--N 1.337 0.585 0 N-CA-C 110.996 -0.842 . . . . 0.0 110.996 178.938 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 73' ' ' ARG . . . . . 0.407 ' HE ' ' CD ' ' A' ' 70' ' ' GLU . 0.1 OUTLIER -76.47 168.59 19.8 Favored 'General case' 0 N--CA 1.451 -0.409 0 N-CA-C 106.346 -1.724 . . . . 0.0 106.346 171.419 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 74' ' ' MET . . . . . . . . . . . . . 34.3 ttm -113.96 121.49 44.08 Favored 'General case' 0 N--CA 1.45 -0.454 0 N-CA-C 109.069 -0.715 . . . . 0.0 109.069 -176.588 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 75' ' ' ILE . . . . . . . . . . . . . 0.2 OUTLIER -129.13 136.09 60.43 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.314 0 CA-C-N 116.043 -0.526 . . . . 0.0 109.717 179.526 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . 54.48 17.71 1.71 Allowed 'General case' 0 N--CA 1.453 -0.277 0 C-N-CA 123.375 0.67 . . . . 0.0 112.06 -173.973 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 89.13 4.57 74.36 Favored Glycine 0 CA--C 1.528 0.899 0 CA-C-O 119.577 -0.568 . . . . 0.0 111.949 -179.36 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 78' ' ' GLN . . . . . . . . . . . . . 1.0 OUTLIER -124.39 130.92 53.35 Favored 'General case' 0 N--CA 1.451 -0.396 0 CA-C-N 117.746 0.773 . . . . 0.0 110.372 -179.205 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 79' ' ' VAL . . . . . . . . . . . . . 45.8 t -63.29 140.21 20.02 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.186 0 C-N-CA 124.252 1.021 . . . . 0.0 110.484 -178.938 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 30.2 mt -94.54 155.43 16.92 Favored 'General case' 0 N--CA 1.456 -0.146 0 CA-C-O 120.661 0.267 . . . . 0.0 111.33 177.219 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 81' ' ' ASP . . . . . . . . . . . . . 38.3 m-20 -124.1 98.07 5.62 Favored 'General case' 0 N--CA 1.452 -0.368 0 N-CA-C 107.685 -1.228 . . . . 0.0 107.685 176.306 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 82' ' ' ILE . . . . . . . . . . . . . 63.2 mt -111.6 138.97 38.06 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.178 0 C-N-CA 123.509 0.724 . . . . 0.0 109.835 -170.248 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 83' ' ' ASN . . . . . . . . . . . . . 9.2 t30 -153.42 157.29 39.71 Favored 'General case' 0 N--CA 1.456 -0.166 0 N-CA-C 109.567 -0.531 . . . . 0.0 109.567 -175.034 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 84' ' ' LEU . . . . . . . . . . . . . 7.7 tp -61.21 138.79 58.22 Favored 'General case' 0 N--CA 1.451 -0.41 0 N-CA-C 109.393 -0.595 . . . . 0.0 109.393 174.981 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.532 0.26 0 N-CA-C 113.516 0.932 . . . . 0.0 113.516 -176.086 . . . . . . . . 0 0 . 1 . 019 nuclear build core ' A' A ' 98' ' ' LYS . . . . . . . . . . . . . 90.7 mttt . . . . . 0 N--CA 1.46 0.059 0 CA-C-O 120.856 0.36 . . . . 0.0 110.781 . . . . . . . . . 0 0 . 1 . 019 nuclear build core ' A' A ' 99' ' ' ARG . . . . . 0.496 ' HG3' ' H ' ' A' ' 100' ' ' SER . 2.2 tpm_? -103.49 178.27 4.6 Favored 'General case' 0 N--CA 1.455 -0.225 0 C-N-CA 124.903 1.281 . . . . 0.0 109.564 -179.63 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 100' ' ' SER . . . . . 0.496 ' H ' ' HG3' ' A' ' 99' ' ' ARG . 74.8 m -59.61 -19.61 50.21 Favored 'General case' 0 N--CA 1.455 -0.2 0 C-N-CA 123.401 0.68 . . . . 0.0 111.875 177.637 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 101' ' ' ALA . . . . . . . . . . . . . . . 52.38 18.81 0.99 Allowed 'General case' 0 CA--C 1.533 0.321 0 C-N-CA 124.045 0.938 . . . . 0.0 112.53 -177.668 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -149.83 7.91 0.65 Allowed 'General case' 0 CA--C 1.533 0.323 0 C-N-CA 123.491 0.716 . . . . 0.0 111.533 -178.074 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 10.7 pt-20 -81.55 -6.4 58.94 Favored 'General case' 0 CA--C 1.531 0.24 0 N-CA-C 112.52 0.563 . . . . 0.0 112.52 -175.644 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 104' ' ' MET . . . . . . . . . . . . . 24.9 ptp -131.88 11.57 4.73 Favored 'General case' 0 CA--C 1.528 0.133 0 N-CA-C 112.604 0.594 . . . . 0.0 112.604 -177.057 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 105' ' ' TYR . . . . . . . . . . . . . 74.6 m-85 -111.69 5.8 19.46 Favored 'General case' 0 CA--C 1.533 0.305 0 C-N-CA 123.106 0.562 . . . . 0.0 111.531 -179.085 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 106' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.523 0.589 0 N-CA-C 110.827 -0.909 . . . . 0.0 110.827 179.896 . . . . . . . . 0 0 . 1 . 020 nuclear build core ' A' A ' 4' ' ' ASN . . . . . . . . . . . . . 67.3 t30 . . . . . 0 CA--C 1.534 0.354 0 N-CA-C 111.525 0.194 . . . . 0.0 111.525 . . . . . . . . . 0 0 . 1 . 020 nuclear build core ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 87.0 t -91.35 130.42 40.55 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.223 0 C-N-CA 122.851 0.46 . . . . 0.0 110.909 -177.053 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 48.6 p -147.82 12.73 1.01 Allowed 'General case' 0 CA--C 1.532 0.254 0 C-N-CA 123.46 0.704 . . . . 0.0 111.876 -179.644 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 7' ' ' ASN . . . . . . . . . . . . . 60.8 t-20 . . . . . 0 CA--C 1.531 0.222 0 CA-C-N 119.11 0.868 . . . . 0.0 111.828 -178.391 . . . . . . . . 0 0 . 1 . 020 nuclear build core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 79.1 p . . . . . 0 N--CA 1.455 -0.213 0 CA-C-O 120.635 0.255 . . . . 0.0 110.868 . . . . . . . . . 0 0 . 1 . 020 nuclear build core ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 35.2 ttm180 -95.58 153.27 17.8 Favored 'General case' 0 C--O 1.233 0.189 0 C-N-CA 124.112 0.965 . . . . 0.0 110.042 -179.262 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 96.5 t -131.28 132.42 63.03 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.315 0 CA-C-O 120.915 0.388 . . . . 0.0 110.088 176.296 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 29.4 t80 -92.54 135.36 34.13 Favored 'General case' 0 N--CA 1.452 -0.353 0 CA-C-N 115.439 -0.8 . . . . 0.0 108.943 175.884 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 59.0 mt -122.68 83.61 0.82 Allowed 'Isoleucine or valine' 0 CA--C 1.523 -0.096 0 N-CA-C 107.979 -1.119 . . . . 0.0 107.979 -179.56 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -83.28 173.8 51.96 Favored Glycine 0 CA--C 1.524 0.644 0 N-CA-C 110.97 -0.852 . . . . 0.0 110.97 178.417 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 56.1 t30 48.58 49.12 18.94 Favored 'General case' 0 N--CA 1.454 -0.26 0 C-N-CA 123.264 0.626 . . . . 0.0 111.124 -178.257 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 55.8 tp -99.91 144.4 29.01 Favored 'General case' 0 CA--C 1.531 0.238 0 N-CA-C 109.195 -0.669 . . . . 0.0 109.195 179.868 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 63.6 t30 -69.41 -36.48 76.76 Favored 'General case' 0 CA--C 1.53 0.192 0 O-C-N 122.257 -0.277 . . . . 0.0 111.223 -177.715 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 46.1 p 52.93 2.2 0.02 OUTLIER 'General case' 0 N--CA 1.466 0.328 0 C-N-CA 126.886 2.074 . . . . 0.0 115.363 178.971 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 7.1 mp -96.16 -16.03 21.74 Favored 'General case' 0 N--CA 1.454 -0.239 0 C-N-CA 123.436 0.694 . . . . 0.0 111.23 177.027 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 57.4 t -125.99 -20.74 2.46 Favored 'Isoleucine or valine' 0 C--N 1.338 0.101 0 C-N-CA 122.728 0.411 . . . . 0.0 110.634 179.566 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 58.4 t -107.39 140.87 24.16 Favored 'Isoleucine or valine' 0 C--N 1.337 0.065 0 N-CA-C 109.777 -0.453 . . . . 0.0 109.777 177.216 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 2.5 mptp? -133.36 172.72 12.31 Favored 'General case' 0 C--N 1.337 0.041 0 C-N-CA 123.759 0.824 . . . . 0.0 109.655 -178.986 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 4.0 ptmm? -66.11 -5.54 10.26 Favored 'General case' 0 CA--C 1.528 0.118 0 C-N-CA 123.735 0.814 . . . . 0.0 112.104 179.544 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 35.7 m -98.18 -0.05 44.97 Favored 'General case' 0 CA--C 1.533 0.296 0 C-N-CA 123.597 0.759 . . . . 0.0 110.507 174.812 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 20.6 m-20 -117.02 -33.74 4.62 Favored 'General case' 0 N--CA 1.455 -0.218 0 C-N-CA 123.867 0.867 . . . . 0.0 110.452 -179.265 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 84.7 t -62.77 -32.4 55.6 Favored 'Isoleucine or valine' 0 N--CA 1.456 -0.142 0 N-CA-C 109.159 -0.682 . . . . 0.0 109.159 178.209 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 23.9 pt-20 -78.92 7.14 7.66 Favored 'General case' 0 CA--C 1.53 0.189 0 N-CA-C 112.124 0.416 . . . . 0.0 112.124 178.374 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -126.66 -7.31 6.23 Favored 'General case' 0 CA--C 1.531 0.248 0 C-N-CA 123.179 0.591 . . . . 0.0 111.03 177.74 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 74.3 mt -110.79 -27.67 2.8 Favored 'Isoleucine or valine' 0 C--O 1.232 0.135 0 C-N-CA 122.955 0.502 . . . . 0.0 110.562 178.836 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 37' ' ' PHE . . . . . . . . . . . . . 64.4 m-85 -102.67 -8.62 20.75 Favored 'General case' 0 N--CA 1.453 -0.28 0 C-N-CA 122.586 0.355 . . . . 0.0 111.106 179.515 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 66.0 p -72.87 -14.03 61.4 Favored 'General case' 0 C--N 1.338 0.106 0 C-N-CA 122.444 0.298 . . . . 0.0 111.589 -179.013 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 18.4 ptmt -83.23 -11.24 58.01 Favored 'General case' 0 CA--C 1.529 0.171 0 C-N-CA 123.361 0.664 . . . . 0.0 112.232 179.063 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 40' ' ' TYR . . . . . . . . . . . . . 78.8 m-85 -105.7 -15.05 15.07 Favored 'General case' 0 C--O 1.233 0.221 0 C-N-CA 122.475 0.31 . . . . 0.0 111.275 177.822 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -176.24 160.7 28.65 Favored Glycine 0 CA--C 1.522 0.507 0 N-CA-C 111.989 -0.444 . . . . 0.0 111.989 174.084 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 78.3 tttt -71.57 114.74 9.97 Favored 'General case' 0 N--CA 1.45 -0.451 0 N-CA-C 109.075 -0.713 . . . . 0.0 109.075 177.504 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 43' ' ' ILE . . . . . . . . . . . . . 74.3 mt -83.65 129.21 37.92 Favored 'Isoleucine or valine' 0 C--O 1.233 0.236 0 N-CA-C 109.688 -0.486 . . . . 0.0 109.688 -177.713 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 33.7 m -110.89 -5.08 11.15 Favored 'Isoleucine or valine' 0 CA--C 1.528 0.128 0 C-N-CA 123.303 0.641 . . . . 0.0 110.756 179.276 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . -167.43 144.11 8.74 Favored Glycine 0 CA--C 1.523 0.586 0 N-CA-C 109.687 -1.365 . . . . 0.0 109.687 177.388 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 46' ' ' CYS . . . . . . . . . . . . . 31.2 p -149.09 146.54 27.76 Favored 'General case' 0 N--CA 1.453 -0.301 0 CA-C-N 116.967 0.383 . . . . 0.0 110.089 -178.755 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 28.3 t -156.96 148.17 22.06 Favored 'General case' 0 N--CA 1.453 -0.303 0 N-CA-C 110.35 -0.241 . . . . 0.0 110.35 177.287 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 48' ' ' VAL . . . . . . . . . . . . . 92.8 t -125.82 147.09 30.62 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.206 0 N-CA-C 109.343 -0.614 . . . . 0.0 109.343 175.747 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 49' ' ' HIS . . . . . . . . . . . . . 56.1 m-70 -133.99 -166.87 1.86 Allowed 'General case' 0 N--CA 1.451 -0.393 0 C-N-CA 124.7 1.2 . . . . 0.0 107.944 -177.202 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 54.4 tttp -90.32 117.55 29.14 Favored 'General case' 0 N--CA 1.45 -0.456 0 C-N-CA 120.541 -0.464 . . . . 0.0 110.045 179.133 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 81.09 -6.34 63.4 Favored Glycine 0 CA--C 1.53 1.006 0 CA-C-O 119.538 -0.59 . . . . 0.0 113.678 179.48 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 51.2 p90 -155.56 170.9 20.92 Favored 'General case' 0 N--CA 1.456 -0.167 0 CA-C-N 118.548 1.174 . . . . 0.0 111.462 178.11 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -148.88 174.14 12.55 Favored 'General case' 0 N--CA 1.455 -0.188 0 C-N-CA 123.736 0.814 . . . . 0.0 110.444 177.434 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 54' ' ' PHE . . . . . . . . . . . . . 7.5 m-85 -141.02 148.22 39.91 Favored 'General case' 0 N--CA 1.454 -0.266 0 C-N-CA 123.572 0.749 . . . . 0.0 110.932 179.772 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 91.4 t -136.84 149.41 26.51 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.255 0 C-N-CA 124.166 0.986 . . . . 0.0 108.769 178.25 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 56' ' ' GLN . . . . . . . . . . . . . 58.3 tp60 -130.36 130.86 44.95 Favored 'General case' 0 N--CA 1.449 -0.519 0 N-CA-C 109.163 -0.68 . . . . 0.0 109.163 -178.77 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 57' ' ' TYR . . . . . . . . . . . . . 45.9 m-85 -112.47 177.75 4.53 Favored 'General case' 0 C--N 1.332 -0.184 0 C-N-CA 123.059 0.544 . . . . 0.0 110.752 -179.635 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 58' ' ' VAL . . . . . . . . . . . . . 53.7 t -72.45 -32.1 40.68 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.323 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.523 177.833 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 59' ' ' ASN . . . . . . . . . . . . . 0.0 OUTLIER -153.84 168.07 27.56 Favored 'General case' 0 N--CA 1.454 -0.268 0 N-CA-C 112.699 0.629 . . . . 0.0 112.699 178.99 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 86.3 tt0 -58.27 -30.66 66.76 Favored 'General case' 0 N--CA 1.454 -0.249 0 C-N-CA 123.963 0.905 . . . . 0.0 112.186 -178.165 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 19.3 tpp180 -60.81 -38.83 86.71 Favored 'General case' 0 C--N 1.338 0.105 0 CA-C-N 118.815 0.734 . . . . 0.0 110.239 179.96 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 62' ' ' ASN . . . . . . . . . . . . . 20.2 m120 -69.93 -25.6 63.74 Favored 'General case' 0 N--CA 1.452 -0.341 0 C-N-CA 120.854 -0.338 . . . . 0.0 110.987 179.831 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -74.22 -37.15 63.92 Favored 'General case' 0 N--CA 1.454 -0.241 0 N-CA-C 110.392 -0.225 . . . . 0.0 110.392 178.153 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 64' ' ' ARG . . . . . . . . . . . . . 35.1 mmt180 -69.0 -27.02 65.32 Favored 'General case' 0 CA--C 1.528 0.104 0 N-CA-C 110.239 -0.282 . . . . 0.0 110.239 179.178 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -78.27 -33.49 49.54 Favored 'General case' 0 N--CA 1.452 -0.366 0 O-C-N 122.512 -0.117 . . . . 0.0 111.255 -179.061 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -83.46 -35.07 25.23 Favored 'General case' 0 N--CA 1.45 -0.43 0 O-C-N 122.192 -0.318 . . . . 0.0 111.566 179.188 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 67' ' ' VAL . . . . . . . . . . . . . 54.1 t -65.31 -30.83 51.44 Favored 'Isoleucine or valine' 0 CA--C 1.527 0.062 0 N-CA-C 109.859 -0.422 . . . . 0.0 109.859 175.971 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -95.33 -10.2 30.81 Favored 'General case' 0 CA--C 1.53 0.198 0 N-CA-C 112.31 0.485 . . . . 0.0 112.31 177.467 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . -102.0 -13.0 32.74 Favored Glycine 0 CA--C 1.528 0.88 0 CA-C-O 119.323 -0.709 . . . . 0.0 114.094 -177.72 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 25.6 mm-40 -133.55 -19.18 2.14 Favored 'General case' 0 N--CA 1.462 0.151 0 CA-C-N 118.497 1.148 . . . . 0.0 112.24 -175.242 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 22.9 t70 -61.69 117.7 6.15 Favored 'General case' 0 C--O 1.231 0.095 0 O-C-N 121.258 -0.901 . . . . 0.0 109.573 178.348 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . 87.21 10.3 71.62 Favored Glycine 0 C--N 1.336 0.58 0 N-CA-C 110.973 -0.851 . . . . 0.0 110.973 178.738 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 73' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -76.38 169.15 18.77 Favored 'General case' 0 N--CA 1.448 -0.539 0 N-CA-C 106.308 -1.738 . . . . 0.0 106.308 171.73 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 74' ' ' MET . . . . . . . . . . . . . 33.3 ttm -114.3 121.91 45.11 Favored 'General case' 0 N--CA 1.449 -0.506 0 N-CA-C 109.203 -0.665 . . . . 0.0 109.203 -176.895 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 75' ' ' ILE . . . . . . . . . . . . . 0.2 OUTLIER -129.45 135.79 60.81 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.435 0 N-CA-C 109.483 -0.562 . . . . 0.0 109.483 179.469 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . 54.67 17.95 1.89 Allowed 'General case' 0 N--CA 1.455 -0.218 0 C-N-CA 123.329 0.652 . . . . 0.0 112.184 -174.346 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 89.33 4.31 74.16 Favored Glycine 0 CA--C 1.529 0.955 0 CA-C-O 119.727 -0.485 . . . . 0.0 112.06 -179.402 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 78' ' ' GLN . . . . . . . . . . . . . 1.0 OUTLIER -124.58 131.47 53.48 Favored 'General case' 0 N--CA 1.45 -0.451 0 CA-C-N 117.598 0.699 . . . . 0.0 110.389 -179.19 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 79' ' ' VAL . . . . . . . . . . . . . 51.4 t -63.32 140.89 18.9 Favored 'Isoleucine or valine' 0 CA--C 1.522 -0.115 0 C-N-CA 124.379 1.072 . . . . 0.0 110.219 -178.747 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 29.6 mt -95.54 156.06 16.48 Favored 'General case' 0 C--N 1.337 0.052 0 CA-C-O 120.846 0.355 . . . . 0.0 111.292 176.957 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 81' ' ' ASP . . . . . . . . . . . . . 4.7 m-20 -125.06 99.63 6.2 Favored 'General case' 0 N--CA 1.455 -0.19 0 N-CA-C 107.677 -1.231 . . . . 0.0 107.677 176.665 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 82' ' ' ILE . . . . . . . . . . . . . 64.9 mt -113.31 140.56 32.85 Favored 'Isoleucine or valine' 0 C--N 1.333 -0.109 0 C-N-CA 123.704 0.801 . . . . 0.0 110.206 -170.113 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 83' ' ' ASN . . . . . . . . . . . . . 8.6 t30 -153.53 156.51 38.22 Favored 'General case' 0 CA--C 1.531 0.241 0 C-N-CA 122.33 0.252 . . . . 0.0 110.627 -175.097 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 84' ' ' LEU . . . . . . . . . . . . . 1.1 tm? -60.47 128.86 38.75 Favored 'General case' 0 N--CA 1.449 -0.505 0 N-CA-C 108.615 -0.883 . . . . 0.0 108.615 174.057 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.532 0.272 0 N-CA-C 114.673 1.36 . . . . 0.0 114.673 -173.171 . . . . . . . . 0 0 . 1 . 020 nuclear build core ' A' A ' 98' ' ' LYS . . . . . . . . . . . . . 35.0 mmtp . . . . . 0 CA--C 1.529 0.14 0 N-CA-C 111.979 0.363 . . . . 0.0 111.979 . . . . . . . . . 0 0 . 1 . 020 nuclear build core ' A' A ' 99' ' ' ARG . . . . . . . . . . . . . 2.4 mpp_? -115.83 167.54 10.85 Favored 'General case' 0 C--O 1.231 0.1 0 C-N-CA 124.034 0.933 . . . . 0.0 109.861 178.789 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 71.6 m -72.12 -8.6 55.56 Favored 'General case' 0 N--CA 1.454 -0.232 0 C-N-CA 122.789 0.436 . . . . 0.0 111.793 178.281 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 101' ' ' ALA . . . . . . . . . . . . . . . 52.28 15.46 0.46 Allowed 'General case' 0 CA--C 1.534 0.338 0 C-N-CA 124.194 0.998 . . . . 0.0 112.357 -173.739 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -150.85 15.6 0.75 Allowed 'General case' 0 CA--C 1.53 0.185 0 C-N-CA 123.694 0.798 . . . . 0.0 111.14 -178.217 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 16.2 pt-20 -69.43 -2.66 11.69 Favored 'General case' 0 CA--C 1.531 0.225 0 N-CA-C 112.779 0.659 . . . . 0.0 112.779 -175.576 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 104' ' ' MET . . . . . . . . . . . . . 73.7 mtm -109.04 8.54 26.23 Favored 'General case' 0 CA--C 1.53 0.183 0 C-N-CA 123.445 0.698 . . . . 0.0 111.215 178.016 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 105' ' ' TYR . . . . . . . . . . . . . 63.9 m-85 -133.83 2.27 3.4 Favored 'General case' 0 CA--C 1.531 0.246 0 C-N-CA 123.069 0.547 . . . . 0.0 111.816 -177.993 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 106' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--N 1.339 0.706 0 N-CA-C 111.586 -0.606 . . . . 0.0 111.586 179.622 . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.474 0.752 0 CA-C-O 120.528 0.204 . . . . 0.0 110.88 . . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 49.2 m -66.46 159.4 27.21 Favored 'General case' 0 N--CA 1.458 -0.071 0 C-N-CA 123.209 0.604 . . . . 0.0 111.32 -179.922 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 4' ' ' ASN . . . . . . . . . . . . . 58.9 t30 -87.62 0.54 55.51 Favored 'General case' 0 CA--C 1.533 0.312 0 C-N-CA 123.183 0.593 . . . . 0.0 111.081 -179.737 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 86.0 t -94.53 132.39 38.69 Favored 'Isoleucine or valine' 0 N--CA 1.457 -0.097 0 C-N-CA 122.907 0.483 . . . . 0.0 111.316 -175.649 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 76.0 p -150.88 6.33 0.52 Allowed 'General case' 0 C--O 1.224 -0.272 0 C-N-CA 123.85 0.86 . . . . 0.0 111.905 -178.065 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 7' ' ' ASN . . . . . . . . . . . . . 37.1 p30 -103.73 18.24 22.36 Favored 'General case' 0 CA--C 1.53 0.181 0 N-CA-C 114.244 1.201 . . . . 0.0 114.244 -172.986 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 55.1 mtmt -64.66 140.92 58.92 Favored 'General case' 0 N--CA 1.456 -0.148 0 O-C-N 122.086 -0.384 . . . . 0.0 110.048 177.932 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 73.3 p -112.42 15.23 20.3 Favored 'General case' 0 C--N 1.333 -0.143 0 N-CA-C 112.999 0.74 . . . . 0.0 112.999 -173.41 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 17.0 m-20 -63.29 152.31 85.1 Favored Pre-proline 0 CA--C 1.531 0.249 0 O-C-N 122.063 -0.398 . . . . 0.0 110.333 179.039 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 11' ' ' PRO . . . . . . . . . . . . . 61.0 Cg_endo -66.16 1.49 2.41 Favored 'Trans proline' 0 N--CA 1.459 -0.557 0 C-N-CA 123.984 3.123 . . . . 0.0 112.976 -175.13 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 2.6 tmm_? -127.41 -33.88 2.31 Favored 'General case' 0 CA--C 1.526 0.051 0 N-CA-C 109.467 -0.568 . . . . 0.0 109.467 176.584 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 50.6 m -73.18 -23.27 60.4 Favored 'General case' 0 C--N 1.333 -0.143 0 O-C-N 122.306 -0.246 . . . . 0.0 111.36 -177.657 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 14' ' ' MET . . . . . . . . . . . . . 14.5 ptm -91.78 -1.3 57.43 Favored 'General case' 0 N--CA 1.455 -0.22 0 CA-C-N 118.612 0.642 . . . . 0.0 111.902 176.375 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 68.5 m-80 -105.69 -22.19 13.02 Favored 'General case' 0 CA--C 1.529 0.159 0 C-N-CA 122.85 0.46 . . . . 0.0 110.363 174.785 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 80.4 p -85.91 6.02 30.32 Favored 'General case' 0 N--CA 1.456 -0.165 0 C-N-CA 122.565 0.346 . . . . 0.0 110.983 170.293 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 28.5 ttp-105 -101.14 153.42 19.6 Favored 'General case' 0 C--N 1.341 0.2 0 C-N-CA 123.387 0.675 . . . . 0.0 110.016 177.308 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 62.2 t -126.54 130.24 71.74 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.294 0 C-N-CA 123.289 0.636 . . . . 0.0 110.147 178.047 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 18.1 t80 -89.54 131.25 35.65 Favored 'General case' 0 N--CA 1.454 -0.264 0 C-N-CA 123.873 0.869 . . . . 0.0 109.192 174.979 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 55.8 mt -120.73 85.91 0.96 Allowed 'Isoleucine or valine' 0 N--CA 1.456 -0.164 0 N-CA-C 107.973 -1.121 . . . . 0.0 107.973 179.806 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -86.41 175.15 47.49 Favored Glycine 0 CA--C 1.526 0.765 0 N-CA-C 110.883 -0.887 . . . . 0.0 110.883 178.532 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 9.8 t30 51.15 41.71 27.96 Favored 'General case' 0 CA--C 1.533 0.291 0 C-N-CA 123.028 0.531 . . . . 0.0 110.916 179.229 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 56.0 tp -94.14 145.67 24.53 Favored 'General case' 0 N--CA 1.455 -0.202 0 C-N-CA 123.546 0.738 . . . . 0.0 109.862 -179.334 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 64.0 t30 -69.94 -39.23 76.2 Favored 'General case' 0 CA--C 1.527 0.086 0 O-C-N 121.868 -0.52 . . . . 0.0 111.189 -178.903 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 30.9 p 56.59 -5.95 0.03 OUTLIER 'General case' 0 N--CA 1.466 0.358 0 C-N-CA 127.056 2.142 . . . . 0.0 115.457 179.37 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 3.8 mm? -87.98 -16.45 33.72 Favored 'General case' 0 N--CA 1.454 -0.249 0 C-N-CA 123.186 0.594 . . . . 0.0 111.549 177.761 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 61.6 t -126.88 -18.37 2.68 Favored 'Isoleucine or valine' 0 C--O 1.231 0.111 0 C-N-CA 122.531 0.332 . . . . 0.0 110.57 179.562 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 60.8 t -111.2 135.09 51.45 Favored 'Isoleucine or valine' 0 C--O 1.231 0.125 0 O-C-N 122.099 -0.376 . . . . 0.0 110.34 177.569 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 3.9 mptp? -129.88 174.25 9.92 Favored 'General case' 0 CA--C 1.523 -0.064 0 C-N-CA 123.912 0.885 . . . . 0.0 109.855 -178.17 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 11.3 ptmt -65.5 -6.2 10.0 Favored 'General case' 0 CA--C 1.529 0.17 0 C-N-CA 123.777 0.831 . . . . 0.0 112.494 -179.485 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 43.8 m -98.58 0.47 44.96 Favored 'General case' 0 N--CA 1.455 -0.216 0 C-N-CA 123.343 0.657 . . . . 0.0 110.534 175.183 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 26.2 m-20 -117.19 -34.41 4.36 Favored 'General case' 0 N--CA 1.454 -0.27 0 C-N-CA 123.914 0.886 . . . . 0.0 110.743 -179.755 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 33' ' ' VAL . . . . . 0.403 HG13 ' CD1' ' A' ' 37' ' ' PHE . 92.6 t -64.65 -31.32 53.2 Favored 'Isoleucine or valine' 0 CA--C 1.527 0.089 0 N-CA-C 109.107 -0.701 . . . . 0.0 109.107 178.894 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 25.5 pt-20 -79.52 7.26 8.5 Favored 'General case' 0 CA--C 1.53 0.201 0 C-N-CA 122.499 0.319 . . . . 0.0 111.719 178.63 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -125.07 -8.4 7.13 Favored 'General case' 0 CA--C 1.531 0.247 0 C-N-CA 123.337 0.655 . . . . 0.0 110.942 176.18 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 72.0 mt -108.96 -27.46 2.93 Favored 'Isoleucine or valine' 0 CA--C 1.531 0.214 0 C-N-CA 123.084 0.554 . . . . 0.0 111.068 178.704 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 37' ' ' PHE . . . . . 0.403 ' CD1' HG13 ' A' ' 33' ' ' VAL . 60.4 m-85 -103.55 -6.76 21.41 Favored 'General case' 0 CA--C 1.529 0.15 0 C-N-CA 122.797 0.439 . . . . 0.0 110.839 179.807 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 71.2 p -74.91 -13.96 60.6 Favored 'General case' 0 N--CA 1.457 -0.107 0 C-N-CA 122.561 0.345 . . . . 0.0 111.511 -179.732 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 18.6 ptmt -81.9 -11.52 58.87 Favored 'General case' 0 CA--C 1.531 0.24 0 C-N-CA 123.25 0.62 . . . . 0.0 112.094 179.554 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 40' ' ' TYR . . . . . . . . . . . . . 67.8 m-85 -106.48 -15.63 14.75 Favored 'General case' 0 CA--C 1.53 0.175 0 C-N-CA 122.416 0.286 . . . . 0.0 111.33 178.168 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -174.49 161.81 31.79 Favored Glycine 0 CA--C 1.521 0.453 0 N-CA-C 111.891 -0.484 . . . . 0.0 111.891 174.671 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 77.6 tttt -73.08 114.46 11.28 Favored 'General case' 0 N--CA 1.451 -0.409 0 N-CA-C 108.991 -0.744 . . . . 0.0 108.991 177.422 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 43' ' ' ILE . . . . . . . . . . . . . 77.9 mt -83.33 129.65 37.12 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.264 0 N-CA-C 109.509 -0.552 . . . . 0.0 109.509 -178.17 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 33.8 m -109.15 -4.89 10.79 Favored 'Isoleucine or valine' 0 CA--C 1.527 0.066 0 C-N-CA 123.073 0.549 . . . . 0.0 110.508 179.108 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . -173.1 147.76 9.9 Favored Glycine 0 C--N 1.337 0.612 0 N-CA-C 109.78 -1.328 . . . . 0.0 109.78 177.167 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 46' ' ' CYS . . . . . . . . . . . . . 50.6 t -152.56 145.8 24.7 Favored 'General case' 0 N--CA 1.452 -0.369 0 N-CA-C 109.913 -0.403 . . . . 0.0 109.913 179.338 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 91.7 p -149.14 146.99 27.94 Favored 'General case' 0 N--CA 1.451 -0.377 0 N-CA-C 109.755 -0.461 . . . . 0.0 109.755 177.29 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 48' ' ' VAL . . . . . . . . . . . . . 94.5 t -124.41 147.01 29.04 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.158 0 N-CA-C 109.158 -0.682 . . . . 0.0 109.158 175.628 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 49' ' ' HIS . . . . . . . . . . . . . 45.8 m-70 -136.25 -166.53 1.89 Allowed 'General case' 0 N--CA 1.449 -0.489 0 C-N-CA 124.239 1.016 . . . . 0.0 108.265 -176.042 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 75.5 mmtt -87.13 116.89 25.5 Favored 'General case' 0 C--O 1.232 0.145 0 CA-C-N 118.433 0.56 . . . . 0.0 110.035 177.441 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 80.81 -9.39 52.36 Favored Glycine 0 CA--C 1.53 0.987 0 C-N-CA 123.842 0.734 . . . . 0.0 113.608 178.088 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 50.6 p90 -149.96 168.19 24.52 Favored 'General case' 0 CA--C 1.53 0.174 0 CA-C-N 118.827 1.314 . . . . 0.0 111.672 178.795 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -148.51 170.75 17.36 Favored 'General case' 0 N--CA 1.455 -0.207 0 C-N-CA 123.865 0.866 . . . . 0.0 110.129 176.403 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 54' ' ' PHE . . . . . . . . . . . . . 21.7 m-85 -138.24 145.98 42.01 Favored 'General case' 0 N--CA 1.453 -0.284 0 C-N-CA 123.762 0.825 . . . . 0.0 110.4 179.268 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 96.6 t -134.81 136.65 51.95 Favored 'Isoleucine or valine' 0 CA--C 1.518 -0.251 0 N-CA-C 108.834 -0.802 . . . . 0.0 108.834 177.813 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 56' ' ' GLN . . . . . . . . . . . . . 61.1 tp60 -116.16 128.33 55.54 Favored 'General case' 0 N--CA 1.449 -0.507 0 N-CA-C 109.307 -0.627 . . . . 0.0 109.307 -176.675 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 57' ' ' TYR . . . . . . . . . . . . . 37.7 m-85 -111.69 175.97 5.21 Favored 'General case' 0 N--CA 1.454 -0.246 0 C-N-CA 123.473 0.709 . . . . 0.0 110.907 -179.706 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 58' ' ' VAL . . . . . . . . . . . . . 79.4 t -72.68 -29.98 32.02 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.251 0 CA-C-N 115.982 -0.553 . . . . 0.0 110.486 179.056 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 59' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -156.89 169.33 25.02 Favored 'General case' 0 N--CA 1.455 -0.224 0 N-CA-C 112.257 0.465 . . . . 0.0 112.257 177.901 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 61.5 tt0 -58.96 -31.61 68.88 Favored 'General case' 0 N--CA 1.455 -0.184 0 C-N-CA 123.263 0.625 . . . . 0.0 111.969 -178.173 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 19.2 tpp180 -59.48 -38.72 81.59 Favored 'General case' 0 N--CA 1.462 0.138 0 CA-C-N 118.941 0.791 . . . . 0.0 110.227 -179.187 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 62' ' ' ASN . . . . . . . . . . . . . 19.1 m120 -70.52 -25.8 63.29 Favored 'General case' 0 N--CA 1.452 -0.364 0 C-N-CA 120.877 -0.329 . . . . 0.0 110.862 179.881 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -74.99 -35.36 62.03 Favored 'General case' 0 N--CA 1.454 -0.259 0 N-CA-C 110.029 -0.36 . . . . 0.0 110.029 178.365 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 64' ' ' ARG . . . . . . . . . . . . . 38.8 mmt180 -69.38 -27.33 65.22 Favored 'General case' 0 N--CA 1.462 0.15 0 N-CA-C 110.261 -0.274 . . . . 0.0 110.261 178.585 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -78.35 -32.7 49.22 Favored 'General case' 0 N--CA 1.454 -0.253 0 O-C-N 122.545 -0.097 . . . . 0.0 110.855 -178.895 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -83.84 -34.5 24.65 Favored 'General case' 0 N--CA 1.454 -0.249 0 O-C-N 122.239 -0.288 . . . . 0.0 111.574 179.736 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 67' ' ' VAL . . . . . . . . . . . . . 48.4 t -65.38 -31.53 54.25 Favored 'Isoleucine or valine' 0 N--CA 1.457 -0.094 0 N-CA-C 110.003 -0.369 . . . . 0.0 110.003 175.479 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -95.26 -9.38 33.34 Favored 'General case' 0 CA--C 1.53 0.185 0 N-CA-C 112.189 0.44 . . . . 0.0 112.189 177.901 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . -102.0 -14.59 28.49 Favored Glycine 0 CA--C 1.53 0.97 0 CA-C-O 119.302 -0.721 . . . . 0.0 113.972 -178.082 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 43.1 mm-40 -132.38 -19.3 2.46 Favored 'General case' 0 CA--C 1.528 0.124 0 CA-C-N 118.559 1.179 . . . . 0.0 112.394 -173.939 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 20.7 t70 -61.47 118.16 6.64 Favored 'General case' 0 N--CA 1.455 -0.22 0 O-C-N 121.076 -1.015 . . . . 0.0 109.649 178.252 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . 87.67 9.69 71.39 Favored Glycine 0 C--N 1.338 0.641 0 N-CA-C 111.311 -0.716 . . . . 0.0 111.311 179.064 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 73' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -75.91 169.53 17.97 Favored 'General case' 0 N--CA 1.451 -0.397 0 N-CA-C 106.604 -1.628 . . . . 0.0 106.604 171.83 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 74' ' ' MET . . . . . . . . . . . . . 31.6 ttm -115.21 120.26 39.12 Favored 'General case' 0 N--CA 1.449 -0.497 0 N-CA-C 108.885 -0.783 . . . . 0.0 108.885 -176.734 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 75' ' ' ILE . . . . . . . . . . . . . 0.2 OUTLIER -127.35 136.23 61.17 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.418 0 N-CA-C 109.556 -0.535 . . . . 0.0 109.556 179.594 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . 54.46 18.77 2.07 Favored 'General case' 0 CA--C 1.533 0.309 0 C-N-CA 123.416 0.686 . . . . 0.0 111.872 -174.256 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 88.33 5.58 75.66 Favored Glycine 0 CA--C 1.528 0.861 0 CA-C-O 119.848 -0.418 . . . . 0.0 112.163 -179.22 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 78' ' ' GLN . . . . . . . . . . . . . 1.1 tm0? -126.07 134.28 51.44 Favored 'General case' 0 N--CA 1.452 -0.332 0 CA-C-N 117.861 0.83 . . . . 0.0 110.419 -179.832 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 79' ' ' VAL . . . . . . . . . . . . . 76.6 t -63.12 141.78 17.66 Favored 'Isoleucine or valine' 0 N--CA 1.461 0.101 0 C-N-CA 124.46 1.104 . . . . 0.0 110.98 -178.919 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 30.3 mt -97.16 155.7 16.72 Favored 'General case' 0 N--CA 1.456 -0.132 0 CA-C-O 120.81 0.338 . . . . 0.0 111.226 175.829 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 81' ' ' ASP . . . . . . . . . . . . . 36.9 t70 -122.75 102.94 8.33 Favored 'General case' 0 N--CA 1.454 -0.246 0 N-CA-C 107.584 -1.265 . . . . 0.0 107.584 173.981 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 82' ' ' ILE . . . . . . . . . . . . . 59.4 mt -116.45 139.37 43.52 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.189 0 CA-C-N 115.942 -0.572 . . . . 0.0 110.142 -170.739 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 83' ' ' ASN . . . . . . . . . . . . . 2.9 t30 -155.26 161.59 41.1 Favored 'General case' 0 N--CA 1.452 -0.365 0 C-N-CA 122.818 0.447 . . . . 0.0 109.915 -175.255 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 84' ' ' LEU . . . . . . . . . . . . . 6.1 tp -60.12 146.44 43.18 Favored 'General case' 0 N--CA 1.452 -0.367 0 N-CA-C 109.141 -0.688 . . . . 0.0 109.141 173.704 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . -76.87 2.38 14.77 Favored 'General case' 0 CA--C 1.534 0.337 0 N-CA-C 113.24 0.83 . . . . 0.0 113.24 -177.739 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . -134.83 2.58 3.15 Favored 'General case' 0 CA--C 1.531 0.218 0 CA-C-N 118.84 0.745 . . . . 0.0 112.892 -176.684 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 77.7 mt-10 -140.19 61.97 19.01 Favored Pre-proline 0 CA--C 1.529 0.159 0 C-N-CA 122.783 0.433 . . . . 0.0 110.042 -179.868 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 88' ' ' PRO . . . . . . . . . . . . . 37.5 Cg_endo -58.93 142.23 99.0 Favored 'Trans proline' 0 N--CA 1.452 -0.97 0 C-N-CA 123.294 2.663 . . . . 0.0 109.61 -178.027 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 89' ' ' LYS . . . . . 0.421 ' HG3' ' H ' ' A' ' 90' ' ' VAL . 13.1 ptpt -59.48 -79.81 0.02 OUTLIER 'General case' 0 CA--C 1.528 0.114 0 C-N-CA 124.289 1.036 . . . . 0.0 112.384 -171.914 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 90' ' ' VAL . . . . . 0.421 ' H ' ' HG3' ' A' ' 89' ' ' LYS . 87.6 t -147.61 -41.0 0.1 Allowed 'Isoleucine or valine' 0 C--N 1.337 0.043 0 N-CA-C 109.337 -0.616 . . . . 0.0 109.337 179.161 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 91' ' ' ASN . . . . . . . . . . . . . 62.6 m-80 -124.48 166.17 16.5 Favored 'General case' 0 N--CA 1.449 -0.499 0 N-CA-C 108.99 -0.744 . . . . 0.0 108.99 178.721 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 92' ' ' ARG . . . . . . . . . . . . . 11.4 ttm180 -140.32 -53.03 0.5 Allowed 'General case' 0 N--CA 1.456 -0.158 0 C-N-CA 122.12 0.168 . . . . 0.0 110.657 179.267 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . -69.88 124.21 14.24 Favored Glycine 0 C--N 1.335 0.476 0 N-CA-C 112.511 -0.236 . . . . 0.0 112.511 -173.108 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 29.9 ttpt 55.78 -9.6 0.02 OUTLIER 'General case' 0 CA--C 1.531 0.232 0 C-N-CA 126.755 2.022 . . . . 0.0 115.348 177.545 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . -158.05 159.63 36.55 Favored 'General case' 0 N--CA 1.449 -0.48 0 CA-C-N 118.805 0.73 . . . . 0.0 111.667 -178.379 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . -174.43 11.25 0.03 OUTLIER Glycine 0 CA--C 1.525 0.701 0 CA-C-O 119.697 -0.502 . . . . 0.0 113.284 -179.583 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 97' ' ' VAL . . . . . 0.469 HG22 ' H ' ' A' ' 99' ' ' ARG . 13.7 p -132.42 137.74 53.7 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.222 0 CA-C-N 118.351 1.076 . . . . 0.0 110.182 179.695 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 98' ' ' LYS . . . . . . . . . . . . . 35.5 mmtp -122.96 14.02 9.86 Favored 'General case' 0 CA--C 1.529 0.171 0 C-N-CA 123.799 0.84 . . . . 0.0 110.956 179.675 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 99' ' ' ARG . . . . . 0.469 ' H ' HG22 ' A' ' 97' ' ' VAL . 19.9 tpt180 -100.59 177.77 4.91 Favored 'General case' 0 C--N 1.333 -0.117 0 C-N-CA 124.25 1.02 . . . . 0.0 109.124 -179.632 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 100' ' ' SER . . . . . 0.411 ' H ' ' HG3' ' A' ' 99' ' ' ARG . 69.3 m -59.94 -18.27 43.94 Favored 'General case' 0 N--CA 1.455 -0.215 0 C-N-CA 122.939 0.496 . . . . 0.0 111.962 177.83 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 101' ' ' ALA . . . . . . . . . . . . . . . 52.13 17.72 0.74 Allowed 'General case' 0 CA--C 1.534 0.349 0 C-N-CA 124.084 0.954 . . . . 0.0 112.242 -177.213 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -148.16 7.95 0.82 Allowed 'General case' 0 N--CA 1.452 -0.327 0 C-N-CA 123.492 0.717 . . . . 0.0 111.45 -177.925 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 18.7 pt-20 -71.64 -6.15 38.87 Favored 'General case' 0 CA--C 1.532 0.251 0 N-CA-C 111.922 0.342 . . . . 0.0 111.922 -177.57 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 104' ' ' MET . . . . . . . . . . . . . 72.7 mtm -103.74 6.65 36.97 Favored 'General case' 0 CA--C 1.529 0.163 0 C-N-CA 123.846 0.858 . . . . 0.0 111.135 178.356 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 105' ' ' TYR . . . . . . . . . . . . . 60.3 m-85 -129.0 5.15 5.35 Favored 'General case' 0 CA--C 1.532 0.276 0 C-N-CA 123.171 0.588 . . . . 0.0 111.245 -177.675 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 106' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--N 1.336 0.555 0 N-CA-C 110.948 -0.861 . . . . 0.0 110.948 -179.719 . . . . . . . . 0 0 . 1 . 001 nuclear build full ' B' B ' 1' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.424 -2.438 0 O4'-C1'-N19 111.281 3.081 . 0.0 '__' . 0.0 . . . . . . . . . . 0 0 . 1 . 001 nuclear build full ' B' B ' 2' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.42 -2.743 1 O4'-C1'-N19 113.147 4.947 . 0.063 4b . 0.0 . . . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 3' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.42 -2.713 0 C5'-C4'-C3' 111.818 -2.455 . 0.188 0b . 0.0 . . . . . . . . . . 0 0 . 1 . 001 nuclear build full ' B' B ' 4' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.42 -2.726 1 O4'-C1'-N19 112.609 4.409 . 0.164 4b . 0.0 . . . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 5' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.418 -2.913 1 O4'-C1'-N19 112.643 4.443 . 0.571 2h . 0.0 . . . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.472 0.669 0 CA-C-O 120.339 0.114 . . . . 0.0 110.903 . . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 38.9 t -70.64 162.27 29.25 Favored 'General case' 0 N--CA 1.457 -0.12 0 C-N-CA 122.498 0.319 . . . . 0.0 110.512 177.757 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 4' ' ' ASN . . . . . . . . . . . . . 3.4 p-10 -89.87 2.83 54.52 Favored 'General case' 0 CA--C 1.532 0.257 0 C-N-CA 122.554 0.342 . . . . 0.0 111.307 178.608 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 90.5 t -99.79 136.18 32.14 Favored 'Isoleucine or valine' 0 C--O 1.233 0.213 0 C-N-CA 122.839 0.455 . . . . 0.0 111.117 -176.02 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 67.6 p -149.02 7.72 0.72 Allowed 'General case' 0 CA--C 1.529 0.147 0 C-N-CA 123.546 0.739 . . . . 0.0 111.955 -178.261 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 7' ' ' ASN . . . . . . . . . . . . . 45.4 t30 -106.92 34.44 3.45 Favored 'General case' 0 CA--C 1.534 0.342 0 O-C-N 121.171 -0.956 . . . . 0.0 112.715 -173.935 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 56.4 mtmt -75.88 134.91 40.17 Favored 'General case' 0 N--CA 1.456 -0.136 0 N-CA-C 108.974 -0.75 . . . . 0.0 108.974 175.622 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 71.6 p -110.64 15.95 21.72 Favored 'General case' 0 C--N 1.333 -0.125 0 N-CA-C 112.782 0.66 . . . . 0.0 112.782 -173.911 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 10.6 m-20 -64.27 152.69 87.9 Favored Pre-proline 0 CA--C 1.531 0.215 0 N-CA-C 109.964 -0.384 . . . . 0.0 109.964 177.948 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 11' ' ' PRO . . . . . . . . . . . . . 68.9 Cg_endo -67.28 0.83 3.5 Favored 'Trans proline' 0 N--CA 1.456 -0.734 0 C-N-CA 124.248 3.298 . . . . 0.0 112.689 -174.256 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -127.8 -30.33 2.52 Favored 'General case' 0 N--CA 1.457 -0.081 0 C-N-CA 122.632 0.373 . . . . 0.0 110.201 176.951 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 38.9 m -76.68 -23.07 53.2 Favored 'General case' 0 N--CA 1.453 -0.294 0 CA-C-O 119.431 -0.319 . . . . 0.0 111.44 -178.569 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 14' ' ' MET . . . . . . . . . . . . . 13.0 ptm -88.17 -2.31 58.53 Favored 'General case' 0 CA--C 1.532 0.277 0 CA-C-N 118.969 0.804 . . . . 0.0 111.526 175.798 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 69.3 m-80 -103.71 -21.59 13.68 Favored 'General case' 0 N--CA 1.454 -0.258 0 C-N-CA 122.804 0.442 . . . . 0.0 110.697 175.659 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 78.2 p -86.8 6.4 31.8 Favored 'General case' 0 CA--C 1.53 0.196 0 C-N-CA 123.072 0.549 . . . . 0.0 111.009 171.214 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 26.3 ttp-105 -100.67 151.59 21.46 Favored 'General case' 0 C--N 1.339 0.116 0 C-N-CA 123.345 0.658 . . . . 0.0 110.095 177.753 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 74.6 t -126.21 129.41 72.09 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.249 0 C-N-CA 123.207 0.603 . . . . 0.0 110.067 178.143 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 14.1 t80 -88.19 133.15 34.1 Favored 'General case' 0 N--CA 1.451 -0.376 0 N-CA-C 109.157 -0.682 . . . . 0.0 109.157 175.232 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 60.3 mt -120.91 84.63 0.86 Allowed 'Isoleucine or valine' 0 N--CA 1.457 -0.122 0 N-CA-C 108.002 -1.11 . . . . 0.0 108.002 179.184 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -85.13 173.92 48.88 Favored Glycine 0 CA--C 1.524 0.61 0 N-CA-C 110.928 -0.869 . . . . 0.0 110.928 178.389 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 64.8 t30 49.42 47.23 22.68 Favored 'General case' 0 CA--C 1.533 0.291 0 C-N-CA 122.97 0.508 . . . . 0.0 110.916 -179.1 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 57.8 tp -98.7 144.75 27.62 Favored 'General case' 0 N--CA 1.453 -0.284 0 C-N-CA 123.327 0.651 . . . . 0.0 109.391 179.982 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 4.9 t-20 -69.41 -42.3 75.25 Favored 'General case' 0 CA--C 1.53 0.197 0 CA-C-N 117.774 0.261 . . . . 0.0 110.946 -178.194 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 31.1 p 59.06 -7.2 0.05 OUTLIER 'General case' 0 N--CA 1.468 0.466 0 C-N-CA 127.125 2.17 . . . . 0.0 115.094 179.167 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 70.6 mt -79.63 -25.57 41.38 Favored 'General case' 0 N--CA 1.452 -0.33 0 CA-C-N 118.25 0.477 . . . . 0.0 111.661 175.862 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 49.3 t -119.68 -23.35 3.46 Favored 'Isoleucine or valine' 0 CA--C 1.531 0.237 0 C-N-CA 122.828 0.451 . . . . 0.0 111.627 -177.763 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 48.3 t -103.29 142.15 17.71 Favored 'Isoleucine or valine' 0 C--O 1.232 0.138 0 CA-C-N 118.107 0.412 . . . . 0.0 109.93 178.341 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 2.3 mptp? -134.45 172.95 12.19 Favored 'General case' 0 C--N 1.339 0.133 0 C-N-CA 123.66 0.784 . . . . 0.0 109.9 -178.51 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 11.3 ptmt -65.45 -6.47 10.55 Favored 'General case' 0 C--O 1.226 -0.158 0 C-N-CA 124.029 0.932 . . . . 0.0 112.102 179.586 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 36.6 m -98.0 -0.45 44.66 Favored 'General case' 0 CA--C 1.531 0.225 0 C-N-CA 123.566 0.746 . . . . 0.0 110.774 175.232 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 23.1 m-20 -115.54 -33.92 5.06 Favored 'General case' 0 N--CA 1.453 -0.314 0 C-N-CA 124.096 0.959 . . . . 0.0 110.659 179.89 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 75.0 t -62.72 -32.86 57.1 Favored 'Isoleucine or valine' 0 CA--C 1.528 0.124 0 N-CA-C 109.318 -0.623 . . . . 0.0 109.318 178.199 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 19.9 pt-20 -78.62 7.77 6.32 Favored 'General case' 0 CA--C 1.53 0.183 0 N-CA-C 112.033 0.383 . . . . 0.0 112.033 178.301 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -126.53 -7.52 6.3 Favored 'General case' 0 CA--C 1.532 0.259 0 C-N-CA 123.275 0.63 . . . . 0.0 111.007 176.919 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 80.5 mt -110.57 -26.92 2.99 Favored 'Isoleucine or valine' 0 CA--C 1.528 0.117 0 C-N-CA 123.071 0.548 . . . . 0.0 110.861 179.409 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 37' ' ' PHE . . . . . . . . . . . . . 67.2 m-85 -105.71 -5.88 19.59 Favored 'General case' 0 N--CA 1.455 -0.209 0 C-N-CA 122.492 0.317 . . . . 0.0 110.977 179.955 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 68.2 p -75.69 -14.37 60.35 Favored 'General case' 0 CA--C 1.524 -0.055 0 C-N-CA 122.621 0.369 . . . . 0.0 111.463 179.505 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 18.7 ptmt -81.69 -10.97 59.25 Favored 'General case' 0 CA--C 1.531 0.212 0 C-N-CA 123.022 0.529 . . . . 0.0 112.299 179.399 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 40' ' ' TYR . . . . . . . . . . . . . 68.9 m-85 -106.95 -14.38 14.97 Favored 'General case' 0 C--N 1.338 0.108 0 CA-C-N 117.867 0.303 . . . . 0.0 111.432 178.194 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -176.56 163.63 32.86 Favored Glycine 0 CA--C 1.523 0.573 0 N-CA-C 111.914 -0.475 . . . . 0.0 111.914 174.865 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 78.0 tttt -74.24 112.96 10.9 Favored 'General case' 0 N--CA 1.454 -0.26 0 N-CA-C 108.71 -0.848 . . . . 0.0 108.71 177.99 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 43' ' ' ILE . . . . . . . . . . . . . 74.4 mt -81.89 130.08 36.4 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.354 0 N-CA-C 109.545 -0.539 . . . . 0.0 109.545 -179.223 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 34.0 m -108.87 -8.42 11.19 Favored 'Isoleucine or valine' 0 C--O 1.228 -0.043 0 C-N-CA 123.3 0.64 . . . . 0.0 110.622 178.549 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . -169.63 148.65 12.16 Favored Glycine 0 CA--C 1.524 0.626 0 N-CA-C 109.85 -1.3 . . . . 0.0 109.85 177.621 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 46' ' ' CYS . . . . . . . . . . . . . 26.4 p -153.14 152.47 31.31 Favored 'General case' 0 N--CA 1.449 -0.48 0 CA-C-N 116.95 0.375 . . . . 0.0 110.042 179.913 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 96.4 p -155.54 149.81 25.84 Favored 'General case' 0 N--CA 1.454 -0.272 0 CA-C-O 120.957 0.408 . . . . 0.0 110.102 177.187 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 48' ' ' VAL . . . . . . . . . . . . . 98.6 t -125.94 146.36 31.85 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.235 0 N-CA-C 108.947 -0.76 . . . . 0.0 108.947 175.391 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 49' ' ' HIS . . . . . . . . . . . . . 51.4 m-70 -134.38 -166.06 1.75 Allowed 'General case' 0 N--CA 1.446 -0.635 0 C-N-CA 124.298 1.039 . . . . 0.0 108.39 -176.619 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 75.5 mmtt -87.74 116.62 26.02 Favored 'General case' 0 N--CA 1.457 -0.112 0 O-C-N 122.002 -0.436 . . . . 0.0 109.904 176.26 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 81.4 -7.84 60.05 Favored Glycine 0 CA--C 1.531 1.048 0 CA-C-O 119.107 -0.829 . . . . 0.0 113.77 178.238 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 44.1 p90 -152.82 171.95 17.47 Favored 'General case' 0 CA--C 1.528 0.111 0 CA-C-N 119.058 1.429 . . . . 0.0 111.703 178.543 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -150.63 172.55 15.35 Favored 'General case' 0 N--CA 1.453 -0.286 0 C-N-CA 124.092 0.957 . . . . 0.0 110.214 177.479 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 54' ' ' PHE . . . . . . . . . . . . . 12.2 m-85 -140.05 147.6 40.56 Favored 'General case' 0 N--CA 1.454 -0.258 0 C-N-CA 123.777 0.831 . . . . 0.0 110.702 178.852 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 93.9 t -135.51 138.3 48.41 Favored 'Isoleucine or valine' 0 CA--C 1.517 -0.315 0 C-N-CA 123.665 0.786 . . . . 0.0 109.368 177.55 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 56' ' ' GLN . . . . . . . . . . . . . 62.9 tp60 -117.99 129.58 55.67 Favored 'General case' 0 N--CA 1.451 -0.408 0 N-CA-C 109.381 -0.6 . . . . 0.0 109.381 -177.572 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 57' ' ' TYR . . . . . . . . . . . . . 44.2 m-85 -112.43 176.11 5.15 Favored 'General case' 0 N--CA 1.455 -0.176 0 C-N-CA 123.426 0.69 . . . . 0.0 111.043 -179.976 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 58' ' ' VAL . . . . . . . . . . . . . 77.5 t -72.32 -31.34 38.44 Favored 'Isoleucine or valine' 0 CA--C 1.528 0.112 0 CA-C-N 116.36 -0.382 . . . . 0.0 110.273 178.539 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 59' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -155.33 168.68 26.29 Favored 'General case' 0 N--CA 1.453 -0.294 0 N-CA-C 112.108 0.41 . . . . 0.0 112.108 178.734 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 84.9 tt0 -59.01 -30.94 68.37 Favored 'General case' 0 CA--C 1.53 0.175 0 C-N-CA 123.75 0.82 . . . . 0.0 112.321 -178.184 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 23.0 tpt180 -59.11 -39.32 81.91 Favored 'General case' 0 CA--C 1.52 -0.193 0 CA-C-N 119.064 0.847 . . . . 0.0 110.067 179.619 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 62' ' ' ASN . . . . . . . . . . . . . 19.5 m120 -71.22 -25.72 62.62 Favored 'General case' 0 N--CA 1.448 -0.564 0 C-N-CA 120.943 -0.303 . . . . 0.0 110.904 -179.481 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -74.82 -38.01 62.17 Favored 'General case' 0 N--CA 1.451 -0.414 0 N-CA-C 110.439 -0.208 . . . . 0.0 110.439 177.778 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 64' ' ' ARG . . . . . . . . . . . . . 36.8 mmt180 -68.57 -26.15 65.26 Favored 'General case' 0 C--N 1.337 0.05 0 O-C-N 122.405 -0.184 . . . . 0.0 110.737 179.141 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -80.27 -32.39 38.24 Favored 'General case' 0 N--CA 1.455 -0.186 0 CA-C-N 117.512 0.142 . . . . 0.0 111.06 -179.616 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -81.71 -35.08 30.2 Favored 'General case' 0 N--CA 1.451 -0.39 0 O-C-N 122.435 -0.166 . . . . 0.0 111.082 179.015 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 67' ' ' VAL . . . . . . . . . . . . . 44.3 t -65.04 -34.2 68.97 Favored 'Isoleucine or valine' 0 C--O 1.227 -0.128 0 N-CA-C 110.022 -0.362 . . . . 0.0 110.022 175.604 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -91.14 -10.66 41.05 Favored 'General case' 0 N--CA 1.457 -0.121 0 N-CA-C 112.03 0.381 . . . . 0.0 112.03 178.585 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . -101.77 -13.91 30.86 Favored Glycine 0 CA--C 1.529 0.96 0 CA-C-O 119.263 -0.743 . . . . 0.0 113.878 -178.032 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 45.5 mm-40 -133.08 -20.69 2.15 Favored 'General case' 0 N--CA 1.464 0.257 0 CA-C-N 118.714 1.257 . . . . 0.0 112.476 -173.683 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 19.5 t0 -61.74 117.88 6.41 Favored 'General case' 0 N--CA 1.454 -0.249 0 CA-C-N 119.185 0.902 . . . . 0.0 110.192 178.816 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . 87.62 9.88 71.2 Favored Glycine 0 CA--C 1.523 0.54 0 N-CA-C 110.96 -0.856 . . . . 0.0 110.96 179.523 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 73' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -75.38 169.8 17.35 Favored 'General case' 0 N--CA 1.453 -0.279 0 N-CA-C 106.289 -1.745 . . . . 0.0 106.289 171.727 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 74' ' ' MET . . . . . . . . . . . . . 33.3 ttm -115.3 120.57 40.09 Favored 'General case' 0 N--CA 1.448 -0.526 0 N-CA-C 109.139 -0.689 . . . . 0.0 109.139 -176.945 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 75' ' ' ILE . . . . . . . . . . . . . 0.2 OUTLIER -127.76 135.68 62.41 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.317 0 CA-C-N 115.975 -0.557 . . . . 0.0 109.541 179.437 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . 54.54 17.44 1.64 Allowed 'General case' 0 CA--C 1.536 0.412 0 C-N-CA 123.181 0.592 . . . . 0.0 112.291 -174.391 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 89.92 4.4 72.32 Favored Glycine 0 CA--C 1.527 0.794 0 CA-C-O 119.647 -0.529 . . . . 0.0 112.072 -179.476 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 78' ' ' GLN . . . . . . . . . . . . . 1.0 OUTLIER -124.7 131.94 53.42 Favored 'General case' 0 N--CA 1.449 -0.508 0 CA-C-N 117.775 0.788 . . . . 0.0 110.335 -179.726 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 79' ' ' VAL . . . . . . . . . . . . . 48.5 t -63.93 140.7 19.25 Favored 'Isoleucine or valine' 0 CA--C 1.522 -0.101 0 C-N-CA 124.372 1.069 . . . . 0.0 110.323 -178.733 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 30.6 mt -94.73 156.48 16.37 Favored 'General case' 0 C--O 1.23 0.071 0 CA-C-O 120.853 0.358 . . . . 0.0 111.347 177.433 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 81' ' ' ASP . . . . . . . . . . . . . 36.1 t70 -122.52 98.25 5.83 Favored 'General case' 0 N--CA 1.452 -0.374 0 N-CA-C 108.193 -1.04 . . . . 0.0 108.193 176.306 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 82' ' ' ILE . . . . . . . . . . . . . 64.2 mt -115.31 139.88 39.51 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.23 0 C-N-CA 122.947 0.499 . . . . 0.0 110.566 -170.015 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 83' ' ' ASN . . . . . . . . . . . . . 1.9 p-10 -157.8 165.45 35.29 Favored 'General case' 0 N--CA 1.452 -0.338 0 CA-C-O 121.085 0.469 . . . . 0.0 111.597 -179.624 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 84' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -61.69 130.74 47.28 Favored 'General case' 0 N--CA 1.452 -0.345 0 C-N-CA 124.049 0.94 . . . . 0.0 108.754 175.398 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . -65.32 0.01 1.62 Allowed 'General case' 0 CA--C 1.532 0.266 0 N-CA-C 114.142 1.164 . . . . 0.0 114.142 -174.544 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . -131.25 -0.8 4.04 Favored 'General case' 0 N--CA 1.454 -0.227 0 CA-C-N 118.708 0.685 . . . . 0.0 111.607 178.491 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 84.9 mt-10 -142.45 68.76 21.01 Favored Pre-proline 0 N--CA 1.454 -0.241 0 N-CA-C 108.708 -0.849 . . . . 0.0 108.708 177.854 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 88' ' ' PRO . . . . . . . . . . . . . 36.8 Cg_endo -60.09 141.6 96.56 Favored 'Trans proline' 0 N--CA 1.451 -0.997 0 C-N-CA 122.885 2.39 . . . . 0.0 108.864 178.586 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 89' ' ' LYS . . . . . 0.498 ' HG3' ' H ' ' A' ' 90' ' ' VAL . 14.2 ptpt -50.91 -69.49 0.11 Allowed 'General case' 0 CA--C 1.527 0.089 0 N-CA-C 112.847 0.684 . . . . 0.0 112.847 -170.498 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 90' ' ' VAL . . . . . 0.498 ' H ' ' HG3' ' A' ' 89' ' ' LYS . 99.8 t -149.37 -37.93 0.09 OUTLIER 'Isoleucine or valine' 0 N--CA 1.457 -0.102 0 C-N-CA 122.882 0.473 . . . . 0.0 110.183 178.931 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 91' ' ' ASN . . . . . . . . . . . . . 68.3 m-80 -133.28 166.09 23.31 Favored 'General case' 0 N--CA 1.452 -0.371 0 CA-C-O 121.491 0.662 . . . . 0.0 111.589 -175.443 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 92' ' ' ARG . . . . . . . . . . . . . 34.3 ttt180 -139.28 94.94 2.86 Favored 'General case' 0 N--CA 1.455 -0.199 0 N-CA-C 105.535 -2.024 . . . . 0.0 105.535 172.31 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . -90.42 -150.82 24.84 Favored Glycine 0 CA--C 1.522 0.488 0 N-CA-C 111.833 -0.507 . . . . 0.0 111.833 -176.103 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 57.1 tttp -135.03 -13.91 2.1 Favored 'General case' 0 N--CA 1.454 -0.243 0 C-N-CA 122.873 0.469 . . . . 0.0 111.856 179.986 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . -151.43 165.98 32.46 Favored 'General case' 0 N--CA 1.453 -0.291 0 C-N-CA 122.812 0.445 . . . . 0.0 110.538 -177.674 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . -75.99 -14.66 82.01 Favored Glycine 0 CA--C 1.527 0.835 0 CA-C-O 119.749 -0.473 . . . . 0.0 112.178 179.207 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 97' ' ' VAL . . . . . . . . . . . . . 10.9 p -89.29 131.25 37.06 Favored 'Isoleucine or valine' 0 N--CA 1.456 -0.137 0 CA-C-N 117.739 0.769 . . . . 0.0 109.169 177.375 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 98' ' ' LYS . . . . . . . . . . . . . 60.2 mttm -132.57 19.11 4.29 Favored 'General case' 0 C--O 1.231 0.082 0 C-N-CA 123.147 0.579 . . . . 0.0 111.261 -175.206 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 99' ' ' ARG . . . . . . . . . . . . . 60.4 mtt-85 -133.35 173.74 11.14 Favored 'General case' 0 N--CA 1.454 -0.265 0 C-N-CA 124.48 1.112 . . . . 0.0 111.095 -177.891 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 68.8 m -69.51 -13.86 62.56 Favored 'General case' 0 N--CA 1.452 -0.351 0 C-N-CA 123.125 0.57 . . . . 0.0 111.316 177.997 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 101' ' ' ALA . . . . . . . . . . . . . . . 51.88 18.4 0.78 Allowed 'General case' 0 CA--C 1.532 0.263 0 C-N-CA 124.138 0.975 . . . . 0.0 112.291 -175.777 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -152.57 4.27 0.36 Allowed 'General case' 0 N--CA 1.453 -0.282 0 C-N-CA 123.205 0.602 . . . . 0.0 112.132 -176.55 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 2.5 pm0 -74.45 -4.27 35.64 Favored 'General case' 0 CA--C 1.531 0.249 0 O-C-N 121.809 -0.557 . . . . 0.0 112.241 -176.783 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 104' ' ' MET . . . . . . . . . . . . . 75.2 mtm -111.15 12.35 21.88 Favored 'General case' 0 CA--C 1.531 0.223 0 C-N-CA 123.683 0.793 . . . . 0.0 111.225 179.179 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 105' ' ' TYR . . . . . . . . . . . . . 70.6 m-85 -127.11 2.03 6.48 Favored 'General case' 0 CA--C 1.532 0.257 0 C-N-CA 122.786 0.434 . . . . 0.0 111.546 -178.106 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 106' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--N 1.339 0.706 0 N-CA-C 111.2 -0.76 . . . . 0.0 111.2 179.411 . . . . . . . . 0 0 . 1 . 002 nuclear build full ' B' B ' 1' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.42 -2.77 0 O4'-C1'-N19 110.559 2.359 . 0.0 '__' . 0.0 . . . . . . . . . . 0 0 . 1 . 002 nuclear build full ' B' B ' 2' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.425 -2.355 1 O4'-C1'-N19 112.487 4.287 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 3' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.419 -2.85 0 O4'-C1'-N19 111.181 2.981 . 0.501 0b . 0.0 . . . . . . . . . . 0 0 . 1 . 002 nuclear build full ' B' B ' 4' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.423 -2.536 1 O4'-C1'-N19 113.078 4.878 . 0.147 4b . 0.0 . . . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 5' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.422 -2.597 0 C5'-C4'-C3' 110.46 -3.36 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.476 0.856 0 CA-C-O 120.171 0.034 . . . . 0.0 110.94 . . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 60.6 m -74.5 162.02 29.21 Favored 'General case' 0 C--N 1.338 0.069 0 C-N-CA 122.514 0.326 . . . . 0.0 110.549 178.619 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 4' ' ' ASN . . . . . . . . . . . . . 2.7 p-10 -87.47 6.2 35.21 Favored 'General case' 0 CA--C 1.532 0.26 0 C-N-CA 122.747 0.419 . . . . 0.0 111.912 179.976 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 92.5 t -101.91 133.84 44.21 Favored 'Isoleucine or valine' 0 N--CA 1.457 -0.085 0 C-N-CA 123.203 0.601 . . . . 0.0 110.903 -176.238 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 47.1 p -147.75 11.49 0.97 Allowed 'General case' 0 CA--C 1.531 0.219 0 C-N-CA 123.401 0.68 . . . . 0.0 112.11 179.956 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 7' ' ' ASN . . . . . . . . . . . . . 64.3 t-20 -120.83 108.18 13.63 Favored 'General case' 0 CA--C 1.532 0.256 0 CA-C-N 119.436 1.017 . . . . 0.0 111.811 -178.742 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 56.8 mtmt -148.82 164.24 35.03 Favored 'General case' 0 C--O 1.231 0.088 0 C-N-CA 125.885 1.674 . . . . 0.0 107.709 173.922 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 80.9 p -125.85 22.36 7.45 Favored 'General case' 0 N--CA 1.465 0.314 0 N-CA-C 112.714 0.635 . . . . 0.0 112.714 -176.611 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 25.0 m-20 -65.91 150.9 96.0 Favored Pre-proline 0 CA--C 1.531 0.239 0 O-C-N 122.096 -0.378 . . . . 0.0 110.171 177.208 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 11' ' ' PRO . . . . . . . . . . . . . 57.1 Cg_endo -65.49 -2.77 6.62 Favored 'Trans proline' 0 N--CA 1.456 -0.733 0 C-N-CA 124.102 3.201 . . . . 0.0 113.514 -174.219 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 4.4 tmm_? -132.24 -31.29 1.45 Allowed 'General case' 0 N--CA 1.456 -0.17 0 CA-C-N 118.28 0.491 . . . . 0.0 110.685 179.88 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 20.2 m -72.57 -28.74 63.0 Favored 'General case' 0 N--CA 1.456 -0.156 0 CA-C-O 119.211 -0.423 . . . . 0.0 111.085 -178.4 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 14' ' ' MET . . . . . . . . . . . . . 13.9 ptm -87.17 -3.72 59.07 Favored 'General case' 0 N--CA 1.454 -0.256 0 CA-C-N 118.718 0.69 . . . . 0.0 112.112 178.589 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 59.1 m-80 -102.41 -21.11 14.32 Favored 'General case' 0 CA--C 1.528 0.128 0 C-N-CA 123.018 0.527 . . . . 0.0 109.973 174.127 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 16.3 m -83.87 13.62 4.73 Favored 'General case' 0 N--CA 1.456 -0.144 0 C-N-CA 123.624 0.769 . . . . 0.0 110.682 171.66 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 36.4 ttm180 -113.18 155.39 25.1 Favored 'General case' 0 N--CA 1.452 -0.339 0 C-N-CA 124.714 1.206 . . . . 0.0 109.898 -176.961 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 74.6 t -130.28 131.9 65.3 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.447 0 CA-C-O 120.785 0.326 . . . . 0.0 110.262 178.874 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 26.0 t80 -90.76 133.62 35.04 Favored 'General case' 0 N--CA 1.451 -0.413 0 C-N-CA 123.625 0.77 . . . . 0.0 108.993 174.265 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 59.5 mt -121.21 84.05 0.83 Allowed 'Isoleucine or valine' 0 N--CA 1.456 -0.152 0 N-CA-C 107.765 -1.198 . . . . 0.0 107.765 179.445 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -84.0 173.3 50.42 Favored Glycine 0 CA--C 1.525 0.704 0 N-CA-C 110.75 -0.94 . . . . 0.0 110.75 178.398 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 22' ' ' ASN . . . . . 0.408 ' HB2' ' C4 ' ' B' ' 1' ' ' ' U' . 61.1 t30 49.88 46.53 24.11 Favored 'General case' 0 N--CA 1.453 -0.275 0 C-N-CA 123.001 0.521 . . . . 0.0 110.8 -179.02 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 56.3 tp -98.46 143.9 28.39 Favored 'General case' 0 N--CA 1.454 -0.238 0 N-CA-C 109.418 -0.586 . . . . 0.0 109.418 179.25 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 64.1 t30 -68.84 -36.12 77.78 Favored 'General case' 0 CA--C 1.529 0.168 0 C-N-CA 121.158 -0.217 . . . . 0.0 111.158 -177.148 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 56.2 p 52.68 3.8 0.03 OUTLIER 'General case' 0 N--CA 1.466 0.328 0 C-N-CA 126.592 1.957 . . . . 0.0 115.036 178.645 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 7.0 mp -97.55 -16.28 20.14 Favored 'General case' 0 CA--C 1.531 0.225 0 C-N-CA 123.364 0.666 . . . . 0.0 111.043 176.961 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 58.8 t -125.68 -20.56 2.61 Favored 'Isoleucine or valine' 0 C--O 1.227 -0.089 0 C-N-CA 122.502 0.321 . . . . 0.0 110.564 179.676 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 52.0 t -106.8 141.73 21.33 Favored 'Isoleucine or valine' 0 C--N 1.338 0.073 0 N-CA-C 110.144 -0.317 . . . . 0.0 110.144 177.292 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 2.3 mptp? -134.23 173.44 11.6 Favored 'General case' 0 N--CA 1.456 -0.135 0 C-N-CA 123.673 0.789 . . . . 0.0 109.973 -179.783 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 9.4 ptmt -67.42 -4.1 10.24 Favored 'General case' 0 CA--C 1.528 0.124 0 C-N-CA 123.56 0.744 . . . . 0.0 111.926 179.314 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 39.6 m -97.84 -0.2 45.57 Favored 'General case' 0 CA--C 1.532 0.278 0 C-N-CA 123.648 0.779 . . . . 0.0 110.709 173.819 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 26.8 m-20 -117.21 -33.12 4.77 Favored 'General case' 0 N--CA 1.453 -0.288 0 C-N-CA 124.016 0.926 . . . . 0.0 110.691 -179.248 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 79.2 t -63.05 -31.57 53.09 Favored 'Isoleucine or valine' 0 C--O 1.231 0.083 0 O-C-N 121.799 -0.563 . . . . 0.0 109.569 178.193 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 19.4 pt-20 -78.84 7.04 7.74 Favored 'General case' 0 CA--C 1.53 0.183 0 N-CA-C 111.99 0.367 . . . . 0.0 111.99 178.198 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -126.54 -7.69 6.29 Favored 'General case' 0 N--CA 1.453 -0.275 0 C-N-CA 123.096 0.558 . . . . 0.0 111.382 177.235 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 74.7 mt -109.89 -28.81 2.58 Favored 'Isoleucine or valine' 0 CA--C 1.527 0.083 0 C-N-CA 122.824 0.449 . . . . 0.0 110.811 178.912 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 37' ' ' PHE . . . . . . . . . . . . . 61.3 m-85 -102.17 -9.2 20.69 Favored 'General case' 0 N--CA 1.455 -0.206 0 C-N-CA 122.46 0.304 . . . . 0.0 110.83 179.784 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 66.2 p -72.22 -14.61 61.83 Favored 'General case' 0 C--O 1.231 0.129 0 C-N-CA 122.584 0.354 . . . . 0.0 111.643 -178.801 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 12.8 ptmm? -82.88 -10.0 59.04 Favored 'General case' 0 N--CA 1.455 -0.216 0 C-N-CA 123.202 0.601 . . . . 0.0 112.231 178.91 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 40' ' ' TYR . . . . . . . . . . . . . 86.7 m-85 -106.58 -14.88 14.92 Favored 'General case' 0 C--N 1.339 0.14 0 C-N-CA 122.55 0.34 . . . . 0.0 111.332 177.894 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -176.63 162.09 30.44 Favored Glycine 0 CA--C 1.524 0.622 0 N-CA-C 111.807 -0.517 . . . . 0.0 111.807 174.545 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 79.1 tttt -73.5 113.19 10.32 Favored 'General case' 0 N--CA 1.453 -0.324 0 N-CA-C 108.892 -0.781 . . . . 0.0 108.892 177.742 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 43' ' ' ILE . . . . . . . . . . . . . 73.9 mt -83.05 131.1 34.54 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.395 0 N-CA-C 109.622 -0.51 . . . . 0.0 109.622 -177.983 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 33.4 m -109.2 -8.98 11.32 Favored 'Isoleucine or valine' 0 CA--C 1.527 0.082 0 C-N-CA 123.132 0.573 . . . . 0.0 110.604 178.419 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . -169.01 147.1 10.82 Favored Glycine 0 CA--C 1.525 0.665 0 N-CA-C 109.798 -1.321 . . . . 0.0 109.798 177.635 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 46' ' ' CYS . . . . . . . . . . . . . 27.2 p -152.37 152.96 32.7 Favored 'General case' 0 N--CA 1.451 -0.384 0 N-CA-C 109.817 -0.438 . . . . 0.0 109.817 179.171 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 21.9 t -157.01 151.74 25.71 Favored 'General case' 0 N--CA 1.451 -0.418 0 N-CA-C 110.114 -0.328 . . . . 0.0 110.114 177.009 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 48' ' ' VAL . . . . . . . . . . . . . 98.1 t -127.82 146.51 33.34 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.303 0 N-CA-C 109.127 -0.694 . . . . 0.0 109.127 176.947 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 49' ' ' HIS . . . . . . . . . . . . . 48.6 m-70 -133.47 -163.26 1.33 Allowed 'General case' 0 N--CA 1.451 -0.406 0 N-CA-C 107.7 -1.222 . . . . 0.0 107.7 -176.704 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 57.7 mtpt -91.56 121.12 32.95 Favored 'General case' 0 N--CA 1.454 -0.257 0 CA-C-N 118.312 0.506 . . . . 0.0 109.762 175.1 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 78.87 -9.36 38.19 Favored Glycine 0 CA--C 1.531 1.046 0 CA-C-O 119.182 -0.788 . . . . 0.0 113.558 178.867 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 50.1 p90 -151.58 170.25 20.13 Favored 'General case' 0 C--O 1.231 0.096 0 CA-C-N 119.01 1.405 . . . . 0.0 111.866 178.341 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -149.69 172.0 15.79 Favored 'General case' 0 N--CA 1.452 -0.356 0 C-N-CA 124.304 1.042 . . . . 0.0 110.188 176.72 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 54' ' ' PHE . . . . . . . . . . . . . 17.2 m-85 -139.99 149.17 42.91 Favored 'General case' 0 N--CA 1.454 -0.241 0 C-N-CA 123.516 0.726 . . . . 0.0 110.901 -179.829 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 92.2 t -136.88 146.33 28.57 Favored 'Isoleucine or valine' 0 CA--C 1.518 -0.261 0 C-N-CA 123.853 0.861 . . . . 0.0 108.926 177.532 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 56' ' ' GLN . . . . . . . . . . . . . 67.9 tp60 -126.45 133.27 51.26 Favored 'General case' 0 N--CA 1.45 -0.445 0 N-CA-C 109.161 -0.681 . . . . 0.0 109.161 -179.82 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 57' ' ' TYR . . . . . . . . . . . . . 51.6 m-85 -115.51 175.42 5.53 Favored 'General case' 0 N--CA 1.454 -0.27 0 C-N-CA 123.609 0.764 . . . . 0.0 110.853 -179.054 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 58' ' ' VAL . . . . . . . . . . . . . 77.0 t -71.07 -30.04 39.37 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.276 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.297 179.399 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 59' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -157.55 168.48 27.17 Favored 'General case' 0 N--CA 1.454 -0.236 0 CA-C-O 120.798 0.332 . . . . 0.0 111.879 177.202 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 65.0 tt0 -57.12 -31.74 65.61 Favored 'General case' 0 N--CA 1.455 -0.188 0 C-N-CA 123.578 0.751 . . . . 0.0 112.559 -178.802 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 25.5 tpt180 -58.55 -40.05 81.93 Favored 'General case' 0 N--CA 1.462 0.17 0 CA-C-N 118.965 0.802 . . . . 0.0 110.042 -179.506 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 62' ' ' ASN . . . . . . . . . . . . . 18.8 m120 -71.16 -25.04 62.38 Favored 'General case' 0 N--CA 1.45 -0.442 0 C-N-CA 120.704 -0.398 . . . . 0.0 110.73 -179.349 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -76.18 -36.69 58.57 Favored 'General case' 0 N--CA 1.454 -0.262 0 O-C-N 122.291 -0.256 . . . . 0.0 110.377 177.785 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 64' ' ' ARG . . . . . . . . . . . . . 41.4 mmt180 -68.01 -26.42 65.89 Favored 'General case' 0 N--CA 1.462 0.137 0 N-CA-C 110.33 -0.248 . . . . 0.0 110.33 178.132 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -80.36 -33.21 37.44 Favored 'General case' 0 N--CA 1.452 -0.341 0 C-N-CA 121.921 0.088 . . . . 0.0 110.796 -178.468 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -80.64 -35.78 33.47 Favored 'General case' 0 N--CA 1.453 -0.317 0 O-C-N 122.277 -0.265 . . . . 0.0 111.225 178.415 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 67' ' ' VAL . . . . . . . . . . . . . 44.0 t -63.99 -33.66 63.61 Favored 'Isoleucine or valine' 0 C--O 1.226 -0.134 0 N-CA-C 109.879 -0.415 . . . . 0.0 109.879 175.646 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -91.53 -9.89 42.69 Favored 'General case' 0 N--CA 1.452 -0.362 0 O-C-N 121.973 -0.454 . . . . 0.0 112.117 178.09 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . -102.53 -14.35 27.9 Favored Glycine 0 CA--C 1.531 1.039 0 CA-C-O 119.05 -0.861 . . . . 0.0 113.749 -177.158 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 70' ' ' GLU . . . . . 0.4 ' CD ' ' HE ' ' A' ' 73' ' ' ARG . 24.7 mm-40 -133.26 -19.6 2.18 Favored 'General case' 0 N--CA 1.462 0.131 0 CA-C-N 118.803 1.302 . . . . 0.0 112.816 -174.041 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 19.4 t0 -62.34 117.05 5.6 Favored 'General case' 0 N--CA 1.455 -0.194 0 O-C-N 121.146 -0.971 . . . . 0.0 110.042 179.055 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . 87.79 10.22 70.13 Favored Glycine 0 C--N 1.339 0.696 0 N-CA-C 111.103 -0.799 . . . . 0.0 111.103 179.553 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 73' ' ' ARG . . . . . 0.4 ' HE ' ' CD ' ' A' ' 70' ' ' GLU . 0.1 OUTLIER -76.32 168.67 19.64 Favored 'General case' 0 N--CA 1.453 -0.319 0 N-CA-C 106.543 -1.651 . . . . 0.0 106.543 171.681 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 74' ' ' MET . . . . . . . . . . . . . 32.5 ttm -113.65 122.35 46.92 Favored 'General case' 0 N--CA 1.451 -0.421 0 N-CA-C 109.178 -0.675 . . . . 0.0 109.178 -176.73 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 75' ' ' ILE . . . . . . . . . . . . . 0.3 OUTLIER -130.18 136.26 59.07 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.331 0 CA-C-N 115.838 -0.619 . . . . 0.0 109.538 179.605 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . 54.49 18.05 1.83 Allowed 'General case' 0 CA--C 1.533 0.314 0 C-N-CA 123.186 0.595 . . . . 0.0 112.117 -174.271 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 88.71 4.33 76.1 Favored Glycine 0 CA--C 1.528 0.846 0 CA-C-O 119.68 -0.511 . . . . 0.0 112.435 -178.852 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 78' ' ' GLN . . . . . . . . . . . . . 1.0 OUTLIER -125.08 132.69 53.12 Favored 'General case' 0 N--CA 1.45 -0.457 0 CA-C-N 117.783 0.792 . . . . 0.0 110.313 -179.354 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 79' ' ' VAL . . . . . . . . . . . . . 49.1 t -64.23 141.29 18.38 Favored 'Isoleucine or valine' 0 N--CA 1.46 0.073 0 C-N-CA 124.248 1.019 . . . . 0.0 110.585 -179.137 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 30.6 mt -95.15 158.13 15.59 Favored 'General case' 0 CA--C 1.523 -0.058 0 CA-C-O 120.756 0.313 . . . . 0.0 111.399 177.02 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 81' ' ' ASP . . . . . . . . . . . . . 25.5 t0 -123.12 100.94 7.12 Favored 'General case' 0 N--CA 1.453 -0.312 0 N-CA-C 108.041 -1.096 . . . . 0.0 108.041 175.219 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 82' ' ' ILE . . . . . . . . . . . . . 64.8 mt -117.11 138.97 46.04 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.226 0 C-N-CA 123.099 0.56 . . . . 0.0 110.713 -170.435 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 83' ' ' ASN . . . . . . . . . . . . . 2.0 p-10 -159.3 167.18 29.56 Favored 'General case' 0 N--CA 1.456 -0.159 0 C-N-CA 123.218 0.607 . . . . 0.0 109.711 177.821 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 84' ' ' LEU . . . . . . . . . . . . . 3.4 tp -59.78 140.1 56.8 Favored 'General case' 0 N--CA 1.452 -0.369 0 N-CA-C 109.587 -0.523 . . . . 0.0 109.587 176.968 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . -67.2 -1.41 4.41 Favored 'General case' 0 CA--C 1.531 0.227 0 N-CA-C 112.719 0.637 . . . . 0.0 112.719 -178.152 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . -126.68 7.08 6.81 Favored 'General case' 0 N--CA 1.455 -0.22 0 C-N-CA 122.8 0.44 . . . . 0.0 111.678 -179.82 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 93.2 mt-10 -138.46 66.4 43.31 Favored Pre-proline 0 CA--C 1.53 0.178 0 C-N-CA 122.763 0.425 . . . . 0.0 110.242 179.625 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 88' ' ' PRO . . . . . . . . . . . . . 44.5 Cg_endo -63.1 137.91 64.42 Favored 'Trans proline' 0 N--CA 1.448 -1.2 0 C-N-CA 122.361 2.04 . . . . 0.0 108.572 174.973 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 37.1 pttt -93.37 -105.65 0.12 Allowed 'General case' 0 N--CA 1.45 -0.434 0 CA-C-N 115.238 -0.892 . . . . 0.0 110.255 -175.514 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 90' ' ' VAL . . . . . . . . . . . . . 6.2 m -144.26 -18.45 0.17 Allowed 'Isoleucine or valine' 0 C--N 1.331 -0.202 0 C-N-CA 123.861 0.864 . . . . 0.0 112.273 -177.56 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 91' ' ' ASN . . . . . . . . . . . . . 46.8 m-80 -83.86 1.33 43.72 Favored 'General case' 0 CA--C 1.53 0.188 0 N-CA-C 113.199 0.815 . . . . 0.0 113.199 -177.179 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 92' ' ' ARG . . . . . . . . . . . . . 49.5 ttt180 -69.79 86.09 0.49 Allowed 'General case' 0 C--N 1.34 0.196 0 CA-C-N 119.489 1.04 . . . . 0.0 108.884 176.996 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . -104.46 -137.41 9.18 Favored Glycine 0 N--CA 1.447 -0.577 0 N-CA-C 108.677 -1.769 . . . . 0.0 108.677 176.819 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 45.3 mmtm -144.19 -0.25 1.01 Allowed 'General case' 0 C--O 1.231 0.092 0 N-CA-C 112.416 0.525 . . . . 0.0 112.416 -179.312 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . -150.45 159.44 44.47 Favored 'General case' 0 N--CA 1.453 -0.293 0 CA-C-N 118.101 0.41 . . . . 0.0 111.107 -177.62 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . -76.26 -10.28 85.49 Favored Glycine 0 CA--C 1.527 0.795 0 CA-C-O 119.71 -0.495 . . . . 0.0 111.954 179.034 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 97' ' ' VAL . . . . . . . . . . . . . 14.7 p -119.99 135.32 60.65 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.303 0 N-CA-C 109.063 -0.717 . . . . 0.0 109.063 174.71 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 98' ' ' LYS . . . . . . . . . . . . . 90.0 mttt -128.43 28.41 5.45 Favored 'General case' 0 C--N 1.332 -0.154 0 C-N-CA 123.832 0.853 . . . . 0.0 110.441 -176.125 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 99' ' ' ARG . . . . . 0.455 ' HG3' ' H ' ' A' ' 100' ' ' SER . 19.1 tpt180 -127.39 175.19 8.39 Favored 'General case' 0 CA--C 1.529 0.162 0 C-N-CA 124.262 1.025 . . . . 0.0 109.123 -178.749 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 100' ' ' SER . . . . . 0.455 ' H ' ' HG3' ' A' ' 99' ' ' ARG . 60.6 m -63.96 -12.97 42.43 Favored 'General case' 0 N--CA 1.456 -0.145 0 C-N-CA 123.336 0.655 . . . . 0.0 112.676 -178.576 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 101' ' ' ALA . . . . . . . . . . . . . . . 53.38 17.09 0.99 Allowed 'General case' 0 CA--C 1.534 0.355 0 C-N-CA 124.022 0.929 . . . . 0.0 112.281 -176.04 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -150.3 6.29 0.57 Allowed 'General case' 0 CA--C 1.532 0.273 0 C-N-CA 123.2 0.6 . . . . 0.0 111.628 -178.256 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 103' ' ' GLU . . . . . 0.607 ' CD ' ' H ' ' A' ' 103' ' ' GLU . 3.2 pm0 -66.49 -6.78 16.01 Favored 'General case' 0 N--CA 1.454 -0.265 0 C-N-CA 124.28 1.032 . . . . 0.0 113.293 -176.575 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 104' ' ' MET . . . . . . . . . . . . . 75.8 mtm -108.08 8.3 28.12 Favored 'General case' 0 N--CA 1.456 -0.149 0 C-N-CA 123.531 0.732 . . . . 0.0 111.182 177.7 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 105' ' ' TYR . . . . . . . . . . . . . 33.4 m-85 -132.88 0.94 3.56 Favored 'General case' 0 CA--C 1.533 0.324 0 C-N-CA 122.686 0.394 . . . . 0.0 111.85 -178.12 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 106' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.524 0.629 0 N-CA-C 111.097 -0.801 . . . . 0.0 111.097 -179.872 . . . . . . . . 0 0 . 1 . 003 nuclear build full ' B' B ' 1' ' ' ' U' . . . . . 0.408 ' C4 ' ' HB2' ' A' ' 22' ' ' ASN . . . . . . . . 0 O4'--C4' 1.42 -2.723 0 O4'-C1'-N19 110.812 2.612 . 0.0 '__' . 0.0 . . . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 2' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.42 -2.79 1 O4'-C1'-N19 112.704 4.504 . 0.01 4b . 0.0 . . . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 3' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.418 -2.882 0 C5'-C4'-C3' 111.603 -2.598 . 0.079 0b . 0.0 . . . . . . . . . . 0 0 . 1 . 003 nuclear build full ' B' B ' 4' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.419 -2.835 1 O4'-C1'-N19 112.25 4.05 . 0.054 4b . 0.0 . . . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 5' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.418 -2.885 1 O4'-C1'-N19 112.766 4.566 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.476 0.845 0 CA-C-O 120.381 0.134 . . . . 0.0 110.884 . . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 50.2 m -67.32 158.89 30.47 Favored 'General case' 0 CA--C 1.527 0.068 0 C-N-CA 122.673 0.389 . . . . 0.0 111.126 179.705 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 4' ' ' ASN . . . . . . . . . . . . . 2.7 p-10 -89.07 6.38 40.11 Favored 'General case' 0 CA--C 1.528 0.103 0 C-N-CA 122.861 0.464 . . . . 0.0 112.053 -179.725 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 94.6 t -100.03 134.49 39.38 Favored 'Isoleucine or valine' 0 N--CA 1.458 -0.059 0 C-N-CA 122.962 0.505 . . . . 0.0 110.528 -176.343 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 60.1 p -147.38 9.41 0.94 Allowed 'General case' 0 C--O 1.226 -0.133 0 C-N-CA 123.237 0.615 . . . . 0.0 112.241 -179.88 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 7' ' ' ASN . . . . . . . . . . . . . 63.3 t-20 -114.49 101.81 9.48 Favored 'General case' 0 N--CA 1.455 -0.219 0 CA-C-N 119.303 0.956 . . . . 0.0 111.151 -178.642 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 55.3 mtmt -144.5 145.19 31.73 Favored 'General case' 0 C--N 1.34 0.165 0 C-N-CA 124.808 1.243 . . . . 0.0 108.086 174.635 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 76.6 p -112.15 14.43 20.65 Favored 'General case' 0 C--O 1.232 0.147 0 N-CA-C 112.608 0.595 . . . . 0.0 112.608 -173.386 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 12.0 m-20 -65.98 151.46 95.21 Favored Pre-proline 0 N--CA 1.452 -0.363 0 O-C-N 121.983 -0.448 . . . . 0.0 109.919 178.175 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 11' ' ' PRO . . . . . . . . . . . . . 68.5 Cg_endo -67.21 1.31 3.04 Favored 'Trans proline' 0 N--CA 1.455 -0.78 0 C-N-CA 124.5 3.467 . . . . 0.0 112.842 -175.305 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -128.79 -23.76 3.06 Favored 'General case' 0 C--N 1.333 -0.115 0 CA-C-N 118.289 0.495 . . . . 0.0 110.91 176.846 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 47.4 m -84.44 -25.39 29.01 Favored 'General case' 0 C--O 1.226 -0.139 0 CA-C-O 119.291 -0.385 . . . . 0.0 111.232 -179.371 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 14' ' ' MET . . . . . . . . . . . . . 10.9 ptm -91.06 -6.7 53.44 Favored 'General case' 0 CA--C 1.53 0.19 0 CA-C-N 118.847 0.749 . . . . 0.0 111.535 177.364 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 15' ' ' ASN . . . . . 0.412 ' HA ' HD11 ' A' ' 84' ' ' LEU . 71.4 m-80 -100.5 -19.08 16.36 Favored 'General case' 0 CA--C 1.531 0.232 0 C-N-CA 122.671 0.389 . . . . 0.0 110.803 177.385 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 56.8 p -92.12 11.65 24.73 Favored 'General case' 0 CA--C 1.529 0.152 0 C-N-CA 123.498 0.719 . . . . 0.0 111.537 172.063 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 28.7 ttp-105 -107.62 151.94 24.96 Favored 'General case' 0 N--CA 1.457 -0.118 0 C-N-CA 123.758 0.823 . . . . 0.0 110.29 178.587 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 71.7 t -125.68 131.45 71.99 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.268 0 C-N-CA 122.947 0.499 . . . . 0.0 110.349 178.893 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 31.8 t80 -89.09 133.72 34.27 Favored 'General case' 0 N--CA 1.451 -0.381 0 CA-C-N 115.636 -0.711 . . . . 0.0 109.212 174.279 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 65.9 mt -120.72 85.41 0.92 Allowed 'Isoleucine or valine' 0 CA--C 1.521 -0.149 0 N-CA-C 108.112 -1.07 . . . . 0.0 108.112 178.572 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -84.34 173.45 49.93 Favored Glycine 0 CA--C 1.526 0.76 0 N-CA-C 110.668 -0.973 . . . . 0.0 110.668 178.269 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 58.7 t30 49.73 45.87 24.29 Favored 'General case' 0 CA--C 1.531 0.22 0 C-N-CA 123.106 0.562 . . . . 0.0 111.163 -178.855 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 49.2 tp -96.13 142.99 27.65 Favored 'General case' 0 CA--C 1.531 0.243 0 N-CA-C 109.419 -0.585 . . . . 0.0 109.419 179.299 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 5.7 t-20 -67.88 -39.74 83.64 Favored 'General case' 0 CA--C 1.529 0.141 0 O-C-N 122.245 -0.285 . . . . 0.0 111.079 -177.973 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 42.4 p 55.57 -2.53 0.03 OUTLIER 'General case' 0 N--CA 1.465 0.313 0 C-N-CA 127.242 2.217 . . . . 0.0 115.362 178.845 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 64.5 mt -83.87 -23.61 31.21 Favored 'General case' 0 N--CA 1.453 -0.308 0 C-N-CA 123.115 0.566 . . . . 0.0 111.83 174.638 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 56.1 t -122.53 -23.67 2.68 Favored 'Isoleucine or valine' 0 N--CA 1.461 0.095 0 C-N-CA 122.444 0.298 . . . . 0.0 111.45 -178.341 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 59.5 t -103.58 136.25 37.36 Favored 'Isoleucine or valine' 0 CA--C 1.522 -0.13 0 N-CA-C 109.835 -0.432 . . . . 0.0 109.835 178.308 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 3.7 mppt? -129.42 173.7 10.31 Favored 'General case' 0 CA--C 1.523 -0.071 0 C-N-CA 123.305 0.642 . . . . 0.0 110.073 -177.863 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 9.1 ptmt -66.7 -3.34 6.38 Favored 'General case' 0 N--CA 1.464 0.246 0 C-N-CA 123.935 0.894 . . . . 0.0 112.117 -179.8 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 35.3 m -101.73 0.62 36.27 Favored 'General case' 0 N--CA 1.456 -0.174 0 C-N-CA 123.767 0.827 . . . . 0.0 110.837 174.415 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 37.1 m-20 -116.43 -34.37 4.62 Favored 'General case' 0 N--CA 1.453 -0.3 0 C-N-CA 123.941 0.896 . . . . 0.0 110.835 -179.624 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 33' ' ' VAL . . . . . 0.408 HG13 ' CD1' ' A' ' 37' ' ' PHE . 99.0 t -65.08 -31.38 53.69 Favored 'Isoleucine or valine' 0 N--CA 1.457 -0.12 0 N-CA-C 109.126 -0.694 . . . . 0.0 109.126 179.68 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 25.1 pt-20 -78.47 7.16 7.05 Favored 'General case' 0 CA--C 1.532 0.268 0 C-N-CA 122.476 0.31 . . . . 0.0 111.769 177.808 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -126.01 -8.02 6.59 Favored 'General case' 0 N--CA 1.455 -0.224 0 C-N-CA 123.213 0.605 . . . . 0.0 110.943 177.355 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 70.7 mt -108.92 -28.4 2.73 Favored 'Isoleucine or valine' 0 C--N 1.338 0.1 0 C-N-CA 122.988 0.515 . . . . 0.0 110.628 178.266 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 37' ' ' PHE . . . . . 0.408 ' CD1' HG13 ' A' ' 33' ' ' VAL . 56.5 m-85 -101.15 -9.03 21.7 Favored 'General case' 0 N--CA 1.454 -0.253 0 C-N-CA 122.756 0.423 . . . . 0.0 111.097 -179.964 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 66.9 p -71.95 -14.71 61.99 Favored 'General case' 0 C--N 1.338 0.079 0 C-N-CA 122.721 0.408 . . . . 0.0 111.675 -178.785 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 18.2 ptmt -82.91 -10.85 58.62 Favored 'General case' 0 CA--C 1.528 0.12 0 C-N-CA 123.327 0.651 . . . . 0.0 112.38 178.894 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 40' ' ' TYR . . . . . . . . . . . . . 79.6 m-85 -105.53 -14.6 15.24 Favored 'General case' 0 C--N 1.34 0.174 0 C-N-CA 122.467 0.307 . . . . 0.0 111.412 177.628 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -176.97 160.62 27.86 Favored Glycine 0 CA--C 1.522 0.499 0 N-CA-C 111.759 -0.537 . . . . 0.0 111.759 174.517 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 78.0 tttt -71.56 113.41 8.57 Favored 'General case' 0 N--CA 1.452 -0.336 0 N-CA-C 108.863 -0.791 . . . . 0.0 108.863 177.477 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 43' ' ' ILE . . . . . . . . . . . . . 77.6 mt -82.77 129.93 36.59 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.279 0 N-CA-C 109.635 -0.506 . . . . 0.0 109.635 -178.463 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 32.9 m -108.08 -6.42 10.73 Favored 'Isoleucine or valine' 0 CA--C 1.527 0.069 0 C-N-CA 123.294 0.637 . . . . 0.0 110.69 178.961 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . -171.32 146.13 9.33 Favored Glycine 0 CA--C 1.523 0.559 0 N-CA-C 110.051 -1.219 . . . . 0.0 110.051 177.202 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 46' ' ' CYS . . . . . . . . . . . . . 42.1 t -149.91 145.03 26.28 Favored 'General case' 0 N--CA 1.45 -0.435 0 CA-C-N 117.088 0.444 . . . . 0.0 110.125 -179.599 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 23.0 t -154.11 149.91 27.6 Favored 'General case' 0 N--CA 1.452 -0.33 0 N-CA-C 110.012 -0.366 . . . . 0.0 110.012 177.344 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 48' ' ' VAL . . . . . . . . . . . . . 92.7 t -125.74 149.8 30.72 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.368 0 N-CA-C 108.967 -0.753 . . . . 0.0 108.967 178.248 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 49' ' ' HIS . . . . . . . . . . . . . 51.5 m-70 -137.47 -170.25 2.7 Favored 'General case' 0 N--CA 1.449 -0.524 0 N-CA-C 107.912 -1.144 . . . . 0.0 107.912 -177.32 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 61.6 tttm -86.12 116.99 24.66 Favored 'General case' 0 N--CA 1.452 -0.348 0 O-C-N 121.763 -0.585 . . . . 0.0 110.281 179.623 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 80.73 -8.4 55.72 Favored Glycine 0 CA--C 1.533 1.179 0 CA-C-O 119.3 -0.722 . . . . 0.0 113.718 179.219 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 48.1 p90 -150.93 168.06 25.68 Favored 'General case' 0 CA--C 1.53 0.204 0 CA-C-N 118.73 1.265 . . . . 0.0 111.385 178.465 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -147.73 171.86 14.99 Favored 'General case' 0 N--CA 1.454 -0.263 0 C-N-CA 123.692 0.797 . . . . 0.0 110.486 176.715 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 54' ' ' PHE . . . . . . . . . . . . . 12.7 m-85 -139.72 143.54 37.07 Favored 'General case' 0 N--CA 1.454 -0.26 0 C-N-CA 123.702 0.801 . . . . 0.0 110.824 -179.849 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 92.3 t -135.65 136.38 50.49 Favored 'Isoleucine or valine' 0 CA--C 1.52 -0.188 0 C-N-CA 123.696 0.798 . . . . 0.0 109.296 178.709 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 56' ' ' GLN . . . . . . . . . . . . . 64.9 tp60 -115.75 134.19 55.27 Favored 'General case' 0 N--CA 1.449 -0.507 0 C-N-CA 123.167 0.587 . . . . 0.0 109.433 -177.551 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 57' ' ' TYR . . . . . . . . . . . . . 51.8 m-85 -115.81 177.3 4.72 Favored 'General case' 0 C--O 1.233 0.217 0 C-N-CA 123.181 0.592 . . . . 0.0 110.505 -179.663 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 58' ' ' VAL . . . . . . . . . . . . . 84.7 t -72.03 -30.29 36.02 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.226 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.056 178.462 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 59' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -158.21 168.71 26.3 Favored 'General case' 0 CA--C 1.53 0.192 0 CA-C-O 120.824 0.345 . . . . 0.0 111.856 177.808 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 73.3 tt0 -58.07 -30.71 66.42 Favored 'General case' 0 CA--C 1.53 0.177 0 C-N-CA 123.546 0.738 . . . . 0.0 112.536 -178.836 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 25.7 tpt180 -59.03 -39.14 81.03 Favored 'General case' 0 N--CA 1.457 -0.102 0 CA-C-N 119.228 0.922 . . . . 0.0 110.104 179.869 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 62' ' ' ASN . . . . . . . . . . . . . 18.9 m120 -72.52 -24.65 61.18 Favored 'General case' 0 N--CA 1.45 -0.469 0 C-N-CA 120.854 -0.338 . . . . 0.0 110.762 179.693 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -76.63 -36.89 57.15 Favored 'General case' 0 N--CA 1.451 -0.407 0 N-CA-C 110.308 -0.256 . . . . 0.0 110.308 178.114 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 64' ' ' ARG . . . . . . . . . . . . . 33.2 mmt180 -70.81 -24.1 62.49 Favored 'General case' 0 N--CA 1.456 -0.168 0 N-CA-C 110.316 -0.253 . . . . 0.0 110.316 178.669 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -80.43 -32.82 37.28 Favored 'General case' 0 N--CA 1.453 -0.288 0 N-CA-C 110.608 -0.145 . . . . 0.0 110.608 179.559 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -80.78 -35.0 33.72 Favored 'General case' 0 N--CA 1.45 -0.43 0 O-C-N 122.248 -0.283 . . . . 0.0 111.478 178.39 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 67' ' ' VAL . . . . . . . . . . . . . 45.9 t -64.97 -32.21 57.26 Favored 'Isoleucine or valine' 0 N--CA 1.457 -0.083 0 N-CA-C 109.851 -0.425 . . . . 0.0 109.851 174.906 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -92.73 -9.32 41.09 Favored 'General case' 0 CA--C 1.53 0.18 0 N-CA-C 112.128 0.418 . . . . 0.0 112.128 178.129 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . -103.91 -13.1 28.26 Favored Glycine 0 CA--C 1.53 1.02 0 CA-C-O 119.299 -0.723 . . . . 0.0 114.033 -177.251 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 23.6 mm-40 -134.37 -19.51 1.91 Allowed 'General case' 0 CA--C 1.528 0.124 0 CA-C-N 118.623 1.212 . . . . 0.0 112.633 -174.252 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 23.7 t0 -62.59 115.41 4.25 Favored 'General case' 0 N--CA 1.454 -0.24 0 O-C-N 121.215 -0.928 . . . . 0.0 110.119 178.683 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . 89.48 10.25 65.79 Favored Glycine 0 C--N 1.335 0.513 0 N-CA-C 111.057 -0.817 . . . . 0.0 111.057 179.99 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 73' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -77.1 169.04 19.05 Favored 'General case' 0 N--CA 1.449 -0.488 0 N-CA-C 106.397 -1.705 . . . . 0.0 106.397 171.737 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 74' ' ' MET . . . . . . . . . . . . . 33.9 ttm -114.2 122.43 46.75 Favored 'General case' 0 N--CA 1.449 -0.501 0 N-CA-C 108.936 -0.764 . . . . 0.0 108.936 -176.065 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 75' ' ' ILE . . . . . . . . . . . . . 0.2 OUTLIER -129.36 135.76 60.98 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.417 0 N-CA-C 109.232 -0.655 . . . . 0.0 109.232 179.71 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . 54.42 17.81 1.71 Allowed 'General case' 0 CA--C 1.534 0.346 0 C-N-CA 123.182 0.593 . . . . 0.0 112.179 -174.404 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 88.97 5.07 74.11 Favored Glycine 0 CA--C 1.526 0.778 0 CA-C-O 119.725 -0.486 . . . . 0.0 112.217 -179.348 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 78' ' ' GLN . . . . . . . . . . . . . 1.0 OUTLIER -124.61 131.63 53.46 Favored 'General case' 0 N--CA 1.449 -0.52 0 CA-C-N 117.728 0.764 . . . . 0.0 110.214 -179.787 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 79' ' ' VAL . . . . . . . . . . . . . 54.4 t -63.52 140.45 19.63 Favored 'Isoleucine or valine' 0 C--O 1.227 -0.101 0 C-N-CA 124.093 0.957 . . . . 0.0 110.391 -179.076 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 30.9 mt -94.17 157.77 15.91 Favored 'General case' 0 N--CA 1.457 -0.118 0 CA-C-O 120.696 0.284 . . . . 0.0 111.095 176.952 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 81' ' ' ASP . . . . . . . . . . . . . 28.5 t70 -125.19 100.17 6.42 Favored 'General case' 0 N--CA 1.453 -0.284 0 N-CA-C 107.777 -1.194 . . . . 0.0 107.777 175.681 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 82' ' ' ILE . . . . . . . . . . . . . 64.9 mt -116.08 139.81 41.0 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.337 0 C-N-CA 123.133 0.573 . . . . 0.0 110.361 -169.741 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 83' ' ' ASN . . . . . . . . . . . . . 1.9 p-10 -157.26 164.02 38.13 Favored 'General case' 0 N--CA 1.455 -0.215 0 C-N-CA 122.81 0.444 . . . . 0.0 110.594 178.787 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 84' ' ' LEU . . . . . 0.412 HD11 ' HA ' ' A' ' 15' ' ' ASN . 0.2 OUTLIER -58.7 134.76 57.09 Favored 'General case' 0 N--CA 1.451 -0.399 0 N-CA-C 108.618 -0.882 . . . . 0.0 108.618 176.036 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . -63.74 2.05 0.53 Allowed 'General case' 0 CA--C 1.535 0.365 0 N-CA-C 113.64 0.978 . . . . 0.0 113.64 -176.681 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . -128.89 3.66 5.37 Favored 'General case' 0 CA--C 1.53 0.198 0 CA-C-N 118.367 0.531 . . . . 0.0 111.397 178.864 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 80.3 mm-40 -138.39 65.77 42.4 Favored Pre-proline 0 N--CA 1.454 -0.258 0 C-N-CA 123.404 0.682 . . . . 0.0 110.056 -179.426 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 88' ' ' PRO . . . . . . . . . . . . . 56.4 Cg_endo -63.16 146.72 94.33 Favored 'Trans proline' 0 N--CA 1.45 -1.033 0 C-N-CA 122.978 2.452 . . . . 0.0 109.55 176.643 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 89' ' ' LYS . . . . . 0.418 ' HG3' ' H ' ' A' ' 90' ' ' VAL . 15.9 ptpt -88.23 -106.32 0.08 Allowed 'General case' 0 N--CA 1.452 -0.368 0 CA-C-N 115.466 -0.788 . . . . 0.0 111.006 -173.039 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 90' ' ' VAL . . . . . 0.418 ' H ' ' HG3' ' A' ' 89' ' ' LYS . 67.9 t -143.73 -31.16 0.15 Allowed 'Isoleucine or valine' 0 N--CA 1.462 0.135 0 C-N-CA 123.81 0.844 . . . . 0.0 111.682 -173.041 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 91' ' ' ASN . . . . . . . . . . . . . 30.0 m-80 -86.09 2.55 46.19 Favored 'General case' 0 N--CA 1.454 -0.253 0 N-CA-C 112.776 0.658 . . . . 0.0 112.776 -174.625 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 92' ' ' ARG . . . . . . . . . . . . . 73.2 ttp85 -65.24 89.38 0.09 Allowed 'General case' 0 CA--C 1.529 0.149 0 N-CA-C 108.999 -0.741 . . . . 0.0 108.999 178.387 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . -179.37 56.52 0.08 OUTLIER Glycine 0 CA--C 1.523 0.536 0 CA-C-O 119.866 -0.408 . . . . 0.0 113.861 -179.568 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 52.2 tttp 62.56 -24.06 0.05 Allowed 'General case' 0 CA--C 1.53 0.188 0 N-CA-C 115.715 1.746 . . . . 0.0 115.715 175.788 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . -156.22 157.9 36.64 Favored 'General case' 0 N--CA 1.453 -0.311 0 CA-C-N 118.898 0.772 . . . . 0.0 110.908 -178.419 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . -80.19 -9.89 86.09 Favored Glycine 0 CA--C 1.527 0.799 0 N-CA-C 111.681 -0.567 . . . . 0.0 111.681 177.386 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 97' ' ' VAL . . . . . 0.445 HG12 ' H ' ' A' ' 99' ' ' ARG . 62.0 t -92.49 137.1 22.99 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.216 0 N-CA-C 109.333 -0.617 . . . . 0.0 109.333 178.595 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 98' ' ' LYS . . . . . . . . . . . . . 74.9 mmtt -122.66 22.48 9.82 Favored 'General case' 0 CA--C 1.528 0.114 0 C-N-CA 123.425 0.69 . . . . 0.0 111.305 -176.236 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 99' ' ' ARG . . . . . 0.445 ' H ' HG12 ' A' ' 97' ' ' VAL . 18.7 tpt180 -119.78 172.0 8.01 Favored 'General case' 0 N--CA 1.456 -0.149 0 C-N-CA 124.02 0.928 . . . . 0.0 109.724 -179.358 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 70.1 m -62.6 -15.75 53.08 Favored 'General case' 0 N--CA 1.455 -0.207 0 C-N-CA 123.262 0.625 . . . . 0.0 112.194 179.606 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 101' ' ' ALA . . . . . . . . . . . . . . . 51.9 18.08 0.74 Allowed 'General case' 0 CA--C 1.535 0.371 0 C-N-CA 124.029 0.932 . . . . 0.0 112.367 -176.01 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -149.35 12.1 0.81 Allowed 'General case' 0 N--CA 1.453 -0.28 0 C-N-CA 123.585 0.754 . . . . 0.0 111.174 -178.102 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 22.1 pt-20 -70.0 -5.85 29.31 Favored 'General case' 0 CA--C 1.529 0.156 0 N-CA-C 112.397 0.517 . . . . 0.0 112.397 -176.791 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 104' ' ' MET . . . . . . . . . . . . . 25.1 ptp -132.48 8.64 4.27 Favored 'General case' 0 N--CA 1.456 -0.144 0 C-N-CA 123.337 0.655 . . . . 0.0 111.836 -179.313 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 105' ' ' TYR . . . . . . . . . . . . . 17.3 m-85 -116.72 0.79 12.68 Favored 'General case' 0 CA--C 1.528 0.117 0 C-N-CA 123.284 0.633 . . . . 0.0 111.421 179.734 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 106' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.525 0.673 0 N-CA-C 111.389 -0.684 . . . . 0.0 111.389 179.224 . . . . . . . . 0 0 . 1 . 004 nuclear build full ' B' B ' 1' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.422 -2.598 0 O4'-C1'-N19 112.031 3.831 . 0.0 '__' . 0.0 . . . . . . . . . . 0 0 . 1 . 004 nuclear build full ' B' B ' 2' ' ' ' U' . . . . . 0.435 " H4'" " H5'" ' B' ' 3' ' ' ' U' . . . . . . . . 0 O4'--C4' 1.42 -2.709 0 O4'-C1'-N19 111.436 3.236 . 0.097 4b . 0.0 . . . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 3' ' ' ' U' . . . . . 0.435 " H5'" " H4'" ' B' ' 2' ' ' ' U' . . . . . . . . 0 O4'--C4' 1.42 -2.75 0 C5'-C4'-C3' 111.304 -2.798 . 0.446 0b . 0.0 . . . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 4' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.422 -2.621 1 O4'-C1'-N19 112.774 4.574 . 0.144 4b . 0.0 . . . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 5' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.423 -2.529 0 C5'-C4'-C3' 110.042 -3.639 . 0.0 OUTLIER delta 0.0 . . . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.472 0.653 0 CA-C-O 120.45 0.167 . . . . 0.0 110.81 . . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 35.8 t -69.15 158.52 34.74 Favored 'General case' 0 C--N 1.337 0.051 0 C-N-CA 122.847 0.459 . . . . 0.0 110.37 178.275 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 4' ' ' ASN . . . . . . . . . . . . . 3.6 p-10 -86.04 1.46 50.22 Favored 'General case' 0 CA--C 1.531 0.224 0 C-N-CA 122.803 0.441 . . . . 0.0 111.513 178.35 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 96.5 t -99.18 136.57 29.74 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.181 0 C-N-CA 122.651 0.38 . . . . 0.0 111.18 -176.384 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 58.8 p -146.4 2.4 0.85 Allowed 'General case' 0 CA--C 1.528 0.104 0 C-N-CA 123.376 0.67 . . . . 0.0 111.477 179.625 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 7' ' ' ASN . . . . . . . . . . . . . 60.0 t-20 -101.86 98.17 8.45 Favored 'General case' 0 N--CA 1.455 -0.224 0 O-C-N 121.441 -0.787 . . . . 0.0 111.1 -176.671 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 58.0 mtmt -142.56 145.44 33.59 Favored 'General case' 0 CA--C 1.529 0.14 0 C-N-CA 124.391 1.076 . . . . 0.0 108.847 176.39 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 74.9 p -117.5 15.42 14.66 Favored 'General case' 0 N--CA 1.463 0.187 0 N-CA-C 112.559 0.578 . . . . 0.0 112.559 -173.005 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 14.7 m-20 -65.11 151.41 93.73 Favored Pre-proline 0 CA--C 1.531 0.227 0 O-C-N 122.132 -0.355 . . . . 0.0 110.24 177.664 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 11' ' ' PRO . . . . . . . . . . . . . 57.6 Cg_endo -65.51 -1.23 4.48 Favored 'Trans proline' 0 N--CA 1.455 -0.749 0 C-N-CA 124.177 3.251 . . . . 0.0 113.002 -174.44 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -129.38 -25.92 2.61 Favored 'General case' 0 C--N 1.338 0.092 0 CA-C-N 118.255 0.479 . . . . 0.0 110.249 178.183 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 36.5 m -80.32 -22.72 41.22 Favored 'General case' 0 C--N 1.333 -0.122 0 O-C-N 121.991 -0.443 . . . . 0.0 111.665 -179.892 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 14' ' ' MET . . . . . . . . . . . . . 12.7 ptm -91.71 2.73 56.29 Favored 'General case' 0 N--CA 1.455 -0.19 0 CA-C-N 118.48 0.582 . . . . 0.0 111.591 175.498 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 71.3 m-80 -111.66 -22.93 10.94 Favored 'General case' 0 CA--C 1.528 0.128 0 C-N-CA 123.028 0.531 . . . . 0.0 110.083 175.182 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 88.3 p -84.01 1.57 43.14 Favored 'General case' 0 N--CA 1.456 -0.138 0 O-C-N 122.101 -0.374 . . . . 0.0 110.711 169.555 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 31.2 ttp-105 -97.97 150.44 21.35 Favored 'General case' 0 N--CA 1.454 -0.236 0 C-N-CA 123.221 0.609 . . . . 0.0 109.954 175.632 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 93.8 t -126.53 129.52 71.74 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.387 0 C-N-CA 123.109 0.564 . . . . 0.0 109.733 179.192 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 20.2 t80 -89.47 133.98 34.31 Favored 'General case' 0 N--CA 1.449 -0.52 0 CA-C-N 115.301 -0.863 . . . . 0.0 109.175 175.601 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 64.8 mt -120.53 83.69 0.8 Allowed 'Isoleucine or valine' 0 CA--C 1.521 -0.158 0 N-CA-C 107.862 -1.162 . . . . 0.0 107.862 179.765 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -84.36 174.89 50.88 Favored Glycine 0 CA--C 1.526 0.728 0 N-CA-C 110.675 -0.97 . . . . 0.0 110.675 178.674 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 58.8 t30 48.46 47.26 20.35 Favored 'General case' 0 CA--C 1.531 0.22 0 C-N-CA 122.943 0.497 . . . . 0.0 110.758 -178.407 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 58.7 tp -99.28 144.55 28.27 Favored 'General case' 0 N--CA 1.455 -0.176 0 N-CA-C 109.396 -0.594 . . . . 0.0 109.396 179.535 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 64.7 t30 -69.6 -37.95 77.1 Favored 'General case' 0 CA--C 1.532 0.266 0 O-C-N 122.267 -0.27 . . . . 0.0 111.171 -177.542 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 60.0 p 53.97 -2.58 0.02 OUTLIER 'General case' 0 N--CA 1.464 0.248 0 C-N-CA 127.668 2.387 . . . . 0.0 115.49 179.129 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 85.3 mt -87.37 -20.55 26.56 Favored 'General case' 0 N--CA 1.452 -0.363 0 C-N-CA 123.235 0.614 . . . . 0.0 111.627 175.809 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 57.6 t -120.95 -26.07 2.33 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.236 0 C-N-CA 122.533 0.333 . . . . 0.0 111.635 -178.78 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 56.7 t -100.69 146.07 9.98 Favored 'Isoleucine or valine' 0 C--O 1.23 0.077 0 CA-C-N 118.065 0.393 . . . . 0.0 110.369 179.203 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 7.9 mptt -135.04 171.98 13.66 Favored 'General case' 0 CA--C 1.523 -0.07 0 C-N-CA 123.451 0.7 . . . . 0.0 110.142 -178.746 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 5.5 ptmm? -65.16 -8.18 15.87 Favored 'General case' 0 CA--C 1.53 0.197 0 C-N-CA 124.076 0.95 . . . . 0.0 111.85 178.839 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 39.3 m -97.0 -1.24 45.93 Favored 'General case' 0 CA--C 1.528 0.132 0 C-N-CA 123.252 0.621 . . . . 0.0 110.894 175.882 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 21.1 m-20 -114.26 -34.54 5.28 Favored 'General case' 0 N--CA 1.454 -0.245 0 C-N-CA 123.836 0.855 . . . . 0.0 110.271 179.587 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 72.0 t -62.48 -32.88 56.7 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.24 0 N-CA-C 109.391 -0.596 . . . . 0.0 109.391 177.942 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 23.5 pt-20 -79.11 7.78 6.89 Favored 'General case' 0 CA--C 1.529 0.171 0 N-CA-C 112.075 0.398 . . . . 0.0 112.075 178.242 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -127.3 -6.58 5.91 Favored 'General case' 0 CA--C 1.53 0.191 0 C-N-CA 123.237 0.615 . . . . 0.0 111.31 176.973 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 78.1 mt -110.85 -27.97 2.72 Favored 'Isoleucine or valine' 0 CA--C 1.528 0.13 0 C-N-CA 123.272 0.629 . . . . 0.0 110.735 178.638 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 37' ' ' PHE . . . . . . . . . . . . . 65.6 m-85 -103.13 -8.61 20.36 Favored 'General case' 0 N--CA 1.456 -0.158 0 C-N-CA 122.612 0.365 . . . . 0.0 110.779 179.932 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 64.6 p -72.9 -14.7 61.53 Favored 'General case' 0 C--O 1.232 0.134 0 C-N-CA 122.4 0.28 . . . . 0.0 111.721 -179.056 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 13.0 ptmm? -83.11 -9.82 59.01 Favored 'General case' 0 CA--C 1.528 0.106 0 C-N-CA 123.496 0.718 . . . . 0.0 112.296 179.106 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 40' ' ' TYR . . . . . . . . . . . . . 85.3 m-85 -106.79 -14.6 14.95 Favored 'General case' 0 C--O 1.23 0.075 0 C-N-CA 122.454 0.301 . . . . 0.0 111.226 177.684 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -177.72 162.2 29.84 Favored Glycine 0 CA--C 1.523 0.533 0 N-CA-C 111.712 -0.555 . . . . 0.0 111.712 175.027 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 78.8 tttt -73.64 114.14 11.55 Favored 'General case' 0 N--CA 1.452 -0.353 0 N-CA-C 108.979 -0.749 . . . . 0.0 108.979 178.075 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 43' ' ' ILE . . . . . . . . . . . . . 77.6 mt -83.43 130.54 35.62 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.23 0 N-CA-C 109.581 -0.526 . . . . 0.0 109.581 -178.418 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 33.7 m -109.61 -8.47 11.38 Favored 'Isoleucine or valine' 0 CA--C 1.526 0.054 0 C-N-CA 123.24 0.616 . . . . 0.0 110.602 179.072 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . -168.94 147.61 11.4 Favored Glycine 0 CA--C 1.524 0.632 0 N-CA-C 109.776 -1.329 . . . . 0.0 109.776 178.004 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 46' ' ' CYS . . . . . . . . . . . . . 22.1 p -151.24 153.74 35.47 Favored 'General case' 0 N--CA 1.451 -0.411 0 O-C-N 122.51 -0.406 . . . . 0.0 110.26 179.739 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 90.1 p -157.09 148.94 22.56 Favored 'General case' 0 N--CA 1.452 -0.349 0 N-CA-C 109.999 -0.371 . . . . 0.0 109.999 176.176 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 48' ' ' VAL . . . . . . . . . . . . . 86.3 t -125.35 145.48 32.64 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.238 0 N-CA-C 109.019 -0.734 . . . . 0.0 109.019 174.641 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 49' ' ' HIS . . . . . . . . . . . . . 46.9 m-70 -133.5 -163.69 1.39 Allowed 'General case' 0 N--CA 1.451 -0.386 0 N-CA-C 108.347 -0.982 . . . . 0.0 108.347 -176.225 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 96.8 mttt -90.0 115.58 27.4 Favored 'General case' 0 N--CA 1.454 -0.231 0 N-CA-C 109.709 -0.478 . . . . 0.0 109.709 177.099 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 81.31 -8.65 57.68 Favored Glycine 0 CA--C 1.529 0.941 0 CA-C-O 119.467 -0.63 . . . . 0.0 113.854 178.702 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 49.8 p90 -151.32 169.96 20.69 Favored 'General case' 0 C--N 1.339 0.137 0 CA-C-N 118.751 1.276 . . . . 0.0 111.761 178.579 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -148.94 171.64 16.0 Favored 'General case' 0 CA--C 1.533 0.292 0 C-N-CA 123.819 0.848 . . . . 0.0 109.794 176.436 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 54' ' ' PHE . . . . . . . . . . . . . 15.9 m-85 -139.94 148.25 41.7 Favored 'General case' 0 C--O 1.233 0.211 0 C-N-CA 123.428 0.691 . . . . 0.0 110.172 179.423 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 99.3 t -138.04 137.87 44.14 Favored 'Isoleucine or valine' 0 CA--C 1.519 -0.231 0 C-N-CA 123.731 0.812 . . . . 0.0 109.001 178.416 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 56' ' ' GLN . . . . . . . . . . . . . 57.1 tp60 -117.82 130.95 56.59 Favored 'General case' 0 N--CA 1.452 -0.342 0 N-CA-C 109.166 -0.679 . . . . 0.0 109.166 -177.291 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 57' ' ' TYR . . . . . . . . . . . . . 52.5 m-85 -112.08 176.25 5.1 Favored 'General case' 0 N--CA 1.453 -0.307 0 C-N-CA 122.843 0.457 . . . . 0.0 110.943 179.701 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 58' ' ' VAL . . . . . . . . . . . . . 80.3 t -71.97 -31.44 40.52 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.309 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.418 179.12 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 59' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -155.67 170.04 22.94 Favored 'General case' 0 N--CA 1.456 -0.165 0 N-CA-C 111.906 0.336 . . . . 0.0 111.906 177.619 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 60.4 tt0 -58.85 -31.61 68.67 Favored 'General case' 0 CA--C 1.531 0.225 0 C-N-CA 123.475 0.71 . . . . 0.0 112.123 -178.041 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 25.5 tpt180 -58.59 -39.73 81.2 Favored 'General case' 0 C--N 1.339 0.123 0 CA-C-N 119.013 0.824 . . . . 0.0 110.146 -179.599 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 62' ' ' ASN . . . . . . . . . . . . . 19.0 m120 -71.59 -24.68 61.95 Favored 'General case' 0 N--CA 1.449 -0.484 0 O-C-N 122.225 -0.297 . . . . 0.0 110.968 -179.542 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -77.06 -36.72 55.69 Favored 'General case' 0 N--CA 1.454 -0.247 0 O-C-N 122.387 -0.196 . . . . 0.0 110.516 177.964 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 64' ' ' ARG . . . . . . . . . . . . . 41.3 mmt180 -68.55 -25.9 65.15 Favored 'General case' 0 N--CA 1.46 0.063 0 N-CA-C 110.222 -0.288 . . . . 0.0 110.222 178.109 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -80.67 -33.6 35.4 Favored 'General case' 0 N--CA 1.454 -0.241 0 CA-C-N 117.438 0.108 . . . . 0.0 110.747 -178.854 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -80.88 -35.45 32.58 Favored 'General case' 0 N--CA 1.451 -0.387 0 O-C-N 122.088 -0.383 . . . . 0.0 111.206 178.666 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 67' ' ' VAL . . . . . . . . . . . . . 48.9 t -64.55 -33.67 64.58 Favored 'Isoleucine or valine' 0 C--N 1.338 0.089 0 N-CA-C 109.907 -0.405 . . . . 0.0 109.907 175.452 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -91.8 -9.11 44.73 Favored 'General case' 0 N--CA 1.455 -0.206 0 N-CA-C 112.082 0.401 . . . . 0.0 112.082 178.37 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . -104.61 -12.04 29.42 Favored Glycine 0 CA--C 1.53 1.015 0 CA-C-O 119.276 -0.736 . . . . 0.0 114.21 -177.475 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 27.6 mm-40 -135.16 -19.53 1.72 Allowed 'General case' 0 CA--C 1.53 0.18 0 CA-C-N 118.623 1.212 . . . . 0.0 112.516 -174.698 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 23.7 t0 -62.17 117.33 5.89 Favored 'General case' 0 C--O 1.234 0.266 0 CA-C-N 118.955 0.798 . . . . 0.0 109.954 178.932 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . 87.98 10.53 69.09 Favored Glycine 0 C--N 1.337 0.595 0 N-CA-C 111.105 -0.798 . . . . 0.0 111.105 179.888 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 73' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -76.59 169.25 18.61 Favored 'General case' 0 N--CA 1.449 -0.494 0 N-CA-C 106.226 -1.768 . . . . 0.0 106.226 171.635 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 74' ' ' MET . . . . . . . . . . . . . 33.2 ttm -114.21 122.46 46.84 Favored 'General case' 0 N--CA 1.452 -0.357 0 N-CA-C 109.248 -0.649 . . . . 0.0 109.248 -176.633 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 75' ' ' ILE . . . . . . . . . . . . . 0.3 OUTLIER -130.12 136.24 59.18 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.383 0 N-CA-C 109.501 -0.555 . . . . 0.0 109.501 179.296 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . 54.26 18.44 1.83 Allowed 'General case' 0 CA--C 1.534 0.337 0 C-N-CA 123.302 0.641 . . . . 0.0 112.056 -173.776 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 88.71 4.3 76.13 Favored Glycine 0 CA--C 1.527 0.81 0 N-CA-C 111.903 -0.479 . . . . 0.0 111.903 -179.312 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 78' ' ' GLN . . . . . . . . . . . . . 1.0 OUTLIER -124.32 131.26 53.51 Favored 'General case' 0 N--CA 1.452 -0.369 0 CA-C-N 117.993 0.896 . . . . 0.0 110.385 -179.131 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 79' ' ' VAL . . . . . . . . . . . . . 48.4 t -63.2 140.22 19.99 Favored 'Isoleucine or valine' 0 C--O 1.228 -0.064 0 C-N-CA 124.38 1.072 . . . . 0.0 110.282 -179.02 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 32.7 mt -94.58 157.46 15.97 Favored 'General case' 0 N--CA 1.455 -0.199 0 CA-C-O 120.623 0.249 . . . . 0.0 111.198 177.041 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 81' ' ' ASP . . . . . . . . . . . . . 29.9 t70 -122.52 102.04 7.84 Favored 'General case' 0 N--CA 1.456 -0.174 0 N-CA-C 107.911 -1.144 . . . . 0.0 107.911 174.11 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 82' ' ' ILE . . . . . . . . . . . . . 63.0 mt -116.63 139.56 42.91 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.235 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.113 -171.078 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 83' ' ' ASN . . . . . . . . . . . . . 1.8 p-10 -159.71 166.51 30.36 Favored 'General case' 0 N--CA 1.453 -0.277 0 C-N-CA 123.208 0.603 . . . . 0.0 110.121 -179.71 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 84' ' ' LEU . . . . . . . . . . . . . 1.6 tp -60.83 143.92 53.75 Favored 'General case' 0 N--CA 1.452 -0.341 0 N-CA-C 109.109 -0.701 . . . . 0.0 109.109 175.626 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . -66.07 3.04 0.93 Allowed 'General case' 0 CA--C 1.535 0.401 0 N-CA-C 112.886 0.698 . . . . 0.0 112.886 -178.72 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . -136.93 5.28 2.82 Favored 'General case' 0 N--CA 1.454 -0.226 0 C-N-CA 123.047 0.539 . . . . 0.0 111.678 178.121 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 78.8 mt-10 -141.63 67.22 23.95 Favored Pre-proline 0 CA--C 1.53 0.189 0 C-N-CA 122.964 0.505 . . . . 0.0 110.208 -179.343 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 88' ' ' PRO . . . . . . . . . . . . . 64.1 Cg_endo -65.98 141.85 66.11 Favored 'Trans proline' 0 N--CA 1.451 -0.976 0 C-N-CA 122.881 2.388 . . . . 0.0 108.028 175.539 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 89' ' ' LYS . . . . . 0.431 ' HG3' ' H ' ' A' ' 90' ' ' VAL . 3.2 ptpp? -56.91 -64.58 0.83 Allowed 'General case' 0 C--N 1.34 0.181 0 N-CA-C 112.84 0.682 . . . . 0.0 112.84 -169.915 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 90' ' ' VAL . . . . . 0.431 ' H ' ' HG3' ' A' ' 89' ' ' LYS . 94.8 t -146.97 -38.58 0.11 Allowed 'Isoleucine or valine' 0 C--N 1.334 -0.069 0 CA-C-N 117.933 0.333 . . . . 0.0 110.411 179.091 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 91' ' ' ASN . . . . . . . . . . . . . 50.2 m-80 -129.34 175.89 8.38 Favored 'General case' 0 N--CA 1.452 -0.358 0 C-N-CA 123.078 0.551 . . . . 0.0 109.706 -177.16 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 92' ' ' ARG . . . . . . . . . . . . . 36.8 ttm180 -144.31 -49.4 0.28 Allowed 'General case' 0 N--CA 1.455 -0.204 0 N-CA-C 111.726 0.269 . . . . 0.0 111.726 -179.678 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . -77.13 117.51 4.85 Favored Glycine 0 CA--C 1.522 0.5 0 N-CA-C 113.881 0.312 . . . . 0.0 113.881 -169.776 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 54.1 mtmt 55.52 -13.89 0.01 OUTLIER 'General case' 0 CA--C 1.533 0.327 0 C-N-CA 127.342 2.257 . . . . 0.0 116.737 172.492 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . -161.35 164.26 30.18 Favored 'General case' 0 N--CA 1.454 -0.246 0 CA-C-N 119.827 1.194 . . . . 0.0 111.444 -179.113 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . -102.89 6.24 51.46 Favored Glycine 0 C--N 1.339 0.711 0 CA-C-O 119.172 -0.793 . . . . 0.0 111.424 177.751 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 97' ' ' VAL . . . . . . . . . . . . . 13.3 p -57.82 131.76 21.99 Favored 'Isoleucine or valine' 0 N--CA 1.457 -0.089 0 CA-C-N 118.378 1.089 . . . . 0.0 110.14 -176.43 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 98' ' ' LYS . . . . . . . . . . . . . 10.6 ptpt -127.1 29.39 5.61 Favored 'General case' 0 N--CA 1.456 -0.167 0 C-N-CA 124.087 0.955 . . . . 0.0 111.45 -169.77 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 99' ' ' ARG . . . . . 0.49 ' HE ' ' CD ' ' A' ' 103' ' ' GLU . 2.4 tpt180 -133.72 163.49 29.34 Favored 'General case' 0 N--CA 1.455 -0.183 0 C-N-CA 123.724 0.809 . . . . 0.0 109.253 -179.892 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 61.7 m -68.79 -11.58 60.53 Favored 'General case' 0 N--CA 1.455 -0.184 0 C-N-CA 122.58 0.352 . . . . 0.0 111.305 177.724 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 101' ' ' ALA . . . . . . . . . . . . . . . 50.96 14.31 0.18 Allowed 'General case' 0 CA--C 1.538 0.483 0 C-N-CA 124.455 1.102 . . . . 0.0 113.055 -175.325 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -150.02 4.12 0.54 Allowed 'General case' 0 N--CA 1.455 -0.197 0 C-N-CA 122.908 0.483 . . . . 0.0 112.128 -178.465 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 103' ' ' GLU . . . . . 0.49 ' CD ' ' HE ' ' A' ' 99' ' ' ARG . 11.2 pt-20 -76.37 -3.53 37.44 Favored 'General case' 0 CA--C 1.53 0.182 0 N-CA-C 112.315 0.487 . . . . 0.0 112.315 -176.332 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 104' ' ' MET . . . . . . . . . . . . . 72.4 mtm -105.09 8.27 34.17 Favored 'General case' 0 CA--C 1.53 0.207 0 C-N-CA 123.717 0.807 . . . . 0.0 111.271 -179.816 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 105' ' ' TYR . . . . . . . . . . . . . 51.9 m-85 -132.35 1.48 3.79 Favored 'General case' 0 N--CA 1.456 -0.13 0 C-N-CA 122.864 0.466 . . . . 0.0 111.794 -177.737 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 106' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.527 0.789 0 N-CA-C 111.389 -0.684 . . . . 0.0 111.389 178.843 . . . . . . . . 0 0 . 1 . 005 nuclear build full ' B' B ' 1' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.422 -2.625 0 O4'-C1'-N19 111.419 3.219 . 0.0 '__' . 0.0 . . . . . . . . . . 0 0 . 1 . 005 nuclear build full ' B' B ' 2' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.421 -2.698 1 O4'-C1'-N19 112.552 4.352 . 0.0 OUTLIER '7D dist 4b' 0.0 . . . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 3' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.42 -2.731 0 C5'-C4'-C3' 111.445 -2.703 . 0.098 0b . 0.0 . . . . . . . . . . 0 0 . 1 . 005 nuclear build full ' B' B ' 4' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.422 -2.588 1 O4'-C1'-N19 112.63 4.43 . 0.203 4b . 0.0 . . . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 5' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.417 -2.976 1 O4'-C1'-N19 114.33 6.13 . 0.149 6p . 0.0 . . . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.477 0.901 0 N-CA-C 110.697 -0.112 . . . . 0.0 110.697 . . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 33.2 t -65.58 159.97 23.48 Favored 'General case' 0 N--CA 1.456 -0.164 0 C-N-CA 122.364 0.266 . . . . 0.0 110.69 178.751 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 4' ' ' ASN . . . . . . . . . . . . . 4.0 p-10 -91.74 2.9 56.18 Favored 'General case' 0 C--N 1.333 -0.127 0 C-N-CA 123.03 0.532 . . . . 0.0 111.261 177.951 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 64.2 t -99.04 135.35 34.47 Favored 'Isoleucine or valine' 0 C--N 1.339 0.129 0 C-N-CA 122.747 0.419 . . . . 0.0 111.331 -176.307 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 76.3 p -149.9 9.06 0.67 Allowed 'General case' 0 CA--C 1.532 0.258 0 C-N-CA 123.83 0.852 . . . . 0.0 112.152 -177.735 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 7' ' ' ASN . . . . . . . . . . . . . 41.0 p30 -105.21 20.0 19.62 Favored 'General case' 0 CA--C 1.532 0.275 0 N-CA-C 114.6 1.333 . . . . 0.0 114.6 -172.779 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 54.3 mtmt -66.49 139.51 57.96 Favored 'General case' 0 C--N 1.339 0.152 0 N-CA-C 109.495 -0.557 . . . . 0.0 109.495 177.76 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 71.6 p -110.21 15.58 22.28 Favored 'General case' 0 C--N 1.333 -0.113 0 N-CA-C 113.152 0.797 . . . . 0.0 113.152 -173.052 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 15.7 m-20 -63.94 150.84 90.81 Favored Pre-proline 0 CA--C 1.533 0.298 0 O-C-N 122.14 -0.35 . . . . 0.0 110.087 178.075 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 11' ' ' PRO . . . . . . . . . . . . . 56.5 Cg_endo -64.62 -6.56 12.45 Favored 'Trans proline' 0 N--CA 1.456 -0.73 0 C-N-CA 123.651 2.901 . . . . 0.0 112.654 -175.209 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 3.2 tmm_? -115.32 -36.27 4.38 Favored 'General case' 0 C--O 1.226 -0.142 0 N-CA-C 109.646 -0.501 . . . . 0.0 109.646 177.593 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 50.8 m -70.44 -24.53 62.91 Favored 'General case' 0 N--CA 1.456 -0.171 0 CA-C-O 119.739 -0.172 . . . . 0.0 111.311 -179.33 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 14' ' ' MET . . . . . . . . . . . . . 14.6 ptm -90.53 2.53 55.68 Favored 'General case' 0 N--CA 1.453 -0.286 0 CA-C-N 118.184 0.447 . . . . 0.0 111.981 177.281 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 60.1 m-80 -113.69 -23.15 9.87 Favored 'General case' 0 C--N 1.339 0.117 0 C-N-CA 123.125 0.57 . . . . 0.0 110.516 173.894 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 88.9 p -84.44 1.6 44.66 Favored 'General case' 0 CA--C 1.531 0.237 0 C-N-CA 122.539 0.336 . . . . 0.0 110.464 169.496 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 29.3 ttp-105 -98.88 151.18 21.13 Favored 'General case' 0 CA--C 1.52 -0.175 0 C-N-CA 123.149 0.58 . . . . 0.0 110.132 175.897 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 83.4 t -125.05 128.08 72.78 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.37 0 C-N-CA 123.03 0.532 . . . . 0.0 109.724 178.958 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 19' ' ' PHE . . . . . 0.47 ' CZ ' H5'' ' B' ' 2' ' ' ' U' . 13.4 t80 -87.66 130.53 34.76 Favored 'General case' 0 N--CA 1.451 -0.41 0 N-CA-C 108.823 -0.806 . . . . 0.0 108.823 174.591 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 62.4 mt -118.37 84.72 0.83 Allowed 'Isoleucine or valine' 0 CA--C 1.52 -0.21 0 N-CA-C 107.737 -1.208 . . . . 0.0 107.737 179.238 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -85.67 175.05 48.77 Favored Glycine 0 CA--C 1.523 0.539 0 N-CA-C 110.827 -0.909 . . . . 0.0 110.827 178.723 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 54.8 t30 48.98 47.48 21.7 Favored 'General case' 0 N--CA 1.453 -0.301 0 C-N-CA 122.984 0.514 . . . . 0.0 110.359 -178.262 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 56.7 tp -100.28 145.65 27.86 Favored 'General case' 0 N--CA 1.454 -0.253 0 C-N-CA 123.14 0.576 . . . . 0.0 109.777 179.773 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 64.3 t30 -70.59 -36.98 73.84 Favored 'General case' 0 C--N 1.338 0.105 0 CA-C-N 117.886 0.312 . . . . 0.0 111.518 -177.57 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 48.7 p 50.72 9.45 0.05 OUTLIER 'General case' 0 N--CA 1.467 0.417 0 C-N-CA 126.406 1.882 . . . . 0.0 114.858 178.877 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 3.3 mm? -102.83 -14.4 16.6 Favored 'General case' 0 CA--C 1.531 0.23 0 C-N-CA 123.84 0.856 . . . . 0.0 111.161 176.469 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 63.5 t -126.3 -24.81 1.63 Allowed 'Isoleucine or valine' 0 C--N 1.34 0.16 0 C-N-CA 122.679 0.392 . . . . 0.0 110.608 178.75 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 47.4 t -102.33 146.59 10.15 Favored 'Isoleucine or valine' 0 C--O 1.232 0.159 0 N-CA-C 110.194 -0.299 . . . . 0.0 110.194 178.896 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 8.1 mptt -135.89 172.58 12.8 Favored 'General case' 0 C--N 1.34 0.157 0 C-N-CA 123.343 0.657 . . . . 0.0 110.207 -178.819 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 10.3 ptmt -68.09 -4.45 13.62 Favored 'General case' 0 CA--C 1.53 0.206 0 C-N-CA 123.574 0.75 . . . . 0.0 112.039 179.419 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 37.6 m -99.86 0.03 40.61 Favored 'General case' 0 CA--C 1.529 0.144 0 C-N-CA 123.385 0.674 . . . . 0.0 110.539 174.365 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 21.2 m-20 -116.05 -33.4 5.07 Favored 'General case' 0 N--CA 1.452 -0.33 0 C-N-CA 123.729 0.812 . . . . 0.0 110.819 179.8 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 72.9 t -65.49 -30.82 51.34 Favored 'Isoleucine or valine' 0 N--CA 1.457 -0.114 0 N-CA-C 108.981 -0.748 . . . . 0.0 108.981 178.809 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 24.9 pt-20 -79.34 8.78 5.53 Favored 'General case' 0 CA--C 1.53 0.206 0 N-CA-C 111.765 0.283 . . . . 0.0 111.765 178.089 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -127.03 -8.51 5.98 Favored 'General case' 0 N--CA 1.454 -0.269 0 C-N-CA 123.306 0.642 . . . . 0.0 111.017 176.183 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 77.6 mt -107.76 -26.34 3.32 Favored 'Isoleucine or valine' 0 C--N 1.339 0.138 0 C-N-CA 123.41 0.684 . . . . 0.0 110.676 178.398 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 37' ' ' PHE . . . . . . . . . . . . . 63.2 m-85 -105.81 -5.57 19.7 Favored 'General case' 0 N--CA 1.456 -0.15 0 C-N-CA 122.819 0.448 . . . . 0.0 110.94 -179.78 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 77.6 p -76.02 -14.38 60.22 Favored 'General case' 0 N--CA 1.456 -0.144 0 O-C-N 122.229 -0.294 . . . . 0.0 111.271 -179.88 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 13.5 ptmm? -80.43 -11.68 59.66 Favored 'General case' 0 N--CA 1.456 -0.149 0 C-N-CA 123.129 0.571 . . . . 0.0 112.265 179.304 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 40' ' ' TYR . . . . . . . . . . . . . 64.5 m-85 -106.23 -15.74 14.77 Favored 'General case' 0 C--O 1.232 0.136 0 C-N-CA 122.579 0.352 . . . . 0.0 111.594 178.52 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -176.24 162.24 30.97 Favored Glycine 0 C--N 1.335 0.512 0 N-CA-C 111.883 -0.487 . . . . 0.0 111.883 174.981 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 54.7 tttp -72.65 115.44 11.93 Favored 'General case' 0 N--CA 1.452 -0.342 0 N-CA-C 108.89 -0.781 . . . . 0.0 108.89 177.815 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 43' ' ' ILE . . . . . . . . . . . . . 77.1 mt -83.21 129.66 37.08 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.323 0 N-CA-C 109.681 -0.488 . . . . 0.0 109.681 -178.841 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 33.8 m -107.27 -8.38 10.7 Favored 'Isoleucine or valine' 0 C--O 1.227 -0.116 0 C-N-CA 123.178 0.591 . . . . 0.0 110.633 178.759 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . -168.94 146.33 10.2 Favored Glycine 0 CA--C 1.525 0.688 0 N-CA-C 109.965 -1.254 . . . . 0.0 109.965 177.79 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 46' ' ' CYS . . . . . . . . . . . . . 45.4 t -150.65 144.54 25.28 Favored 'General case' 0 N--CA 1.451 -0.378 0 N-CA-C 109.747 -0.464 . . . . 0.0 109.747 -179.228 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 23.1 t -153.26 148.26 26.63 Favored 'General case' 0 N--CA 1.449 -0.507 0 CA-C-O 120.875 0.369 . . . . 0.0 110.13 177.032 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 48' ' ' VAL . . . . . . . . . . . . . 92.3 t -125.74 146.68 31.08 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.222 0 N-CA-C 109.267 -0.642 . . . . 0.0 109.267 177.572 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 49' ' ' HIS . . . . . . . . . . . . . 54.4 m-70 -131.79 -164.2 1.42 Allowed 'General case' 0 N--CA 1.449 -0.489 0 C-N-CA 124.174 0.99 . . . . 0.0 108.348 -176.666 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 98.3 mttt -90.75 116.91 28.96 Favored 'General case' 0 N--CA 1.452 -0.336 0 N-CA-C 109.374 -0.602 . . . . 0.0 109.374 175.647 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 83.08 -9.79 59.7 Favored Glycine 0 CA--C 1.533 1.171 0 CA-C-O 118.903 -0.943 . . . . 0.0 113.51 178.214 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 50.4 p90 -152.62 170.23 20.74 Favored 'General case' 0 N--CA 1.461 0.082 0 CA-C-N 119.037 1.419 . . . . 0.0 111.601 179.078 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -148.96 172.23 15.05 Favored 'General case' 0 CA--C 1.53 0.202 0 C-N-CA 123.784 0.834 . . . . 0.0 110.542 176.509 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 54' ' ' PHE . . . . . . . . . . . . . 11.9 m-85 -140.41 143.97 35.93 Favored 'General case' 0 N--CA 1.454 -0.263 0 C-N-CA 123.726 0.81 . . . . 0.0 110.606 -179.947 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 93.0 t -134.58 137.83 50.6 Favored 'Isoleucine or valine' 0 CA--C 1.518 -0.274 0 C-N-CA 123.657 0.783 . . . . 0.0 109.25 178.972 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 56' ' ' GLN . . . . . . . . . . . . . 59.2 tp60 -116.92 130.86 56.98 Favored 'General case' 0 N--CA 1.451 -0.397 0 N-CA-C 109.401 -0.592 . . . . 0.0 109.401 -176.966 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 57' ' ' TYR . . . . . . . . . . . . . 38.9 m-85 -113.14 176.17 5.13 Favored 'General case' 0 N--CA 1.455 -0.219 0 C-N-CA 123.342 0.657 . . . . 0.0 110.845 179.703 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 58' ' ' VAL . . . . . . . . . . . . . 69.1 t -72.3 -30.73 36.33 Favored 'Isoleucine or valine' 0 N--CA 1.456 -0.169 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.367 178.964 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 59' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -156.83 170.19 23.04 Favored 'General case' 0 CA--C 1.53 0.179 0 CA-C-N 118.082 0.401 . . . . 0.0 112.047 178.068 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 74.2 tt0 -59.69 -30.8 69.04 Favored 'General case' 0 N--CA 1.454 -0.249 0 C-N-CA 123.332 0.653 . . . . 0.0 112.212 -177.982 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 19.4 tpp180 -59.94 -39.03 84.14 Favored 'General case' 0 CA--C 1.527 0.086 0 CA-C-N 118.978 0.808 . . . . 0.0 110.298 -179.698 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 62' ' ' ASN . . . . . . . . . . . . . 17.4 m120 -71.07 -25.53 62.66 Favored 'General case' 0 N--CA 1.451 -0.425 0 C-N-CA 120.809 -0.356 . . . . 0.0 110.814 -179.864 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -76.43 -35.52 58.48 Favored 'General case' 0 N--CA 1.452 -0.334 0 N-CA-C 110.343 -0.243 . . . . 0.0 110.343 178.532 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 64' ' ' ARG . . . . . . . . . . . . . 39.8 mmt180 -69.01 -26.73 65.15 Favored 'General case' 0 CA--C 1.526 0.047 0 N-CA-C 110.12 -0.326 . . . . 0.0 110.12 178.411 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -80.09 -33.45 38.79 Favored 'General case' 0 N--CA 1.452 -0.332 0 CA-C-N 117.54 0.154 . . . . 0.0 110.879 -179.484 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -81.31 -33.74 32.36 Favored 'General case' 0 N--CA 1.452 -0.332 0 O-C-N 122.048 -0.408 . . . . 0.0 111.121 179.87 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 67' ' ' VAL . . . . . . . . . . . . . 46.7 t -67.28 -33.42 62.69 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.238 0 N-CA-C 109.926 -0.398 . . . . 0.0 109.926 176.131 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -90.05 -10.37 45.05 Favored 'General case' 0 CA--C 1.531 0.222 0 N-CA-C 112.007 0.373 . . . . 0.0 112.007 177.773 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . -102.6 -13.51 29.97 Favored Glycine 0 CA--C 1.532 1.136 0 CA-C-O 119.191 -0.783 . . . . 0.0 113.752 -177.052 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 45.8 mm-40 -133.95 -20.03 1.98 Allowed 'General case' 0 N--CA 1.465 0.302 0 CA-C-N 118.646 1.223 . . . . 0.0 112.311 -173.73 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 21.8 t70 -61.59 118.22 6.78 Favored 'General case' 0 N--CA 1.456 -0.13 0 CA-C-N 119.131 0.878 . . . . 0.0 109.93 178.701 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . 87.28 10.65 70.75 Favored Glycine 0 CA--C 1.524 0.643 0 N-CA-C 111.205 -0.758 . . . . 0.0 111.205 179.433 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 73' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -76.48 169.72 17.72 Favored 'General case' 0 N--CA 1.449 -0.509 0 N-CA-C 106.383 -1.71 . . . . 0.0 106.383 171.475 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 74' ' ' MET . . . . . . . . . . . . . 33.7 ttm -115.29 121.74 43.8 Favored 'General case' 0 N--CA 1.448 -0.552 0 N-CA-C 109.078 -0.712 . . . . 0.0 109.078 -177.095 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 75' ' ' ILE . . . . . . . . . . . . . 0.2 OUTLIER -129.01 135.7 61.47 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.318 0 N-CA-C 109.562 -0.532 . . . . 0.0 109.562 179.286 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . 54.46 18.19 1.86 Allowed 'General case' 0 CA--C 1.533 0.316 0 C-N-CA 123.245 0.618 . . . . 0.0 112.298 -174.01 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 89.3 3.56 75.33 Favored Glycine 0 CA--C 1.527 0.82 0 N-CA-C 112.099 -0.4 . . . . 0.0 112.099 -179.256 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 78' ' ' GLN . . . . . . . . . . . . . 1.0 OUTLIER -123.73 132.22 53.77 Favored 'General case' 0 N--CA 1.45 -0.442 0 CA-C-N 117.687 0.744 . . . . 0.0 110.307 -179.105 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 79' ' ' VAL . . . . . . . . . . . . . 50.1 t -64.36 140.93 18.89 Favored 'Isoleucine or valine' 0 CA--C 1.522 -0.127 0 C-N-CA 124.4 1.08 . . . . 0.0 110.507 -178.87 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 29.3 mt -96.12 155.98 16.53 Favored 'General case' 0 N--CA 1.456 -0.153 0 CA-C-O 120.864 0.364 . . . . 0.0 111.4 177.224 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 81' ' ' ASP . . . . . . . . . . . . . 7.3 m-20 -123.07 103.14 8.39 Favored 'General case' 0 N--CA 1.453 -0.293 0 N-CA-C 107.727 -1.212 . . . . 0.0 107.727 174.684 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 82' ' ' ILE . . . . . . . . . . . . . 65.5 mt -118.59 139.13 46.98 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.355 0 C-N-CA 123.143 0.577 . . . . 0.0 110.433 -169.847 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 83' ' ' ASN . . . . . . . . . . . . . 1.1 p-10 -161.04 172.0 17.62 Favored 'General case' 0 CA--C 1.529 0.163 0 C-N-CA 123.373 0.669 . . . . 0.0 110.174 -178.564 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 84' ' ' LEU . . . . . . . . . . . . . 3.2 mm? -64.54 150.32 47.0 Favored 'General case' 0 N--CA 1.455 -0.176 0 N-CA-C 109.271 -0.64 . . . . 0.0 109.271 176.37 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . -69.98 3.76 2.49 Favored 'General case' 0 CA--C 1.534 0.342 0 N-CA-C 112.002 0.371 . . . . 0.0 112.002 177.33 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . -136.89 -2.82 2.07 Favored 'General case' 0 N--CA 1.454 -0.238 0 C-N-CA 123.054 0.542 . . . . 0.0 112.357 -179.283 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 94.3 mt-10 -139.66 70.11 37.73 Favored Pre-proline 0 N--CA 1.454 -0.229 0 N-CA-C 109.217 -0.661 . . . . 0.0 109.217 178.398 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 88' ' ' PRO . . . . . . . . . . . . . 39.9 Cg_endo -61.96 144.94 96.97 Favored 'Trans proline' 0 N--CA 1.452 -0.937 0 C-N-CA 123.092 2.528 . . . . 0.0 109.103 178.971 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 89' ' ' LYS . . . . . 0.503 ' HG3' ' H ' ' A' ' 90' ' ' VAL . 14.5 ptpt -52.73 -63.85 1.01 Allowed 'General case' 0 C--N 1.34 0.155 0 N-CA-C 112.681 0.623 . . . . 0.0 112.681 -169.873 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 90' ' ' VAL . . . . . 0.503 ' H ' ' HG3' ' A' ' 89' ' ' LYS . 66.5 t -147.25 -38.66 0.11 Allowed 'Isoleucine or valine' 0 C--O 1.232 0.141 0 N-CA-C 110.273 -0.269 . . . . 0.0 110.273 177.165 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 91' ' ' ASN . . . . . . . . . . . . . 64.2 m-80 -135.97 167.91 20.34 Favored 'General case' 0 N--CA 1.45 -0.467 0 CA-C-O 120.897 0.38 . . . . 0.0 111.198 -175.889 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 92' ' ' ARG . . . . . . . . . . . . . 67.0 ttp85 -131.04 85.66 2.29 Favored 'General case' 0 N--CA 1.455 -0.187 0 N-CA-C 106.555 -1.646 . . . . 0.0 106.555 171.424 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 93' ' ' GLY . . . . . 0.401 ' O ' " H2'" ' B' ' 1' ' ' ' U' . . . -105.44 -131.76 7.1 Favored Glycine 0 C--N 1.333 0.404 0 N-CA-C 112.225 -0.35 . . . . 0.0 112.225 -174.164 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 60.2 tttp -132.32 -25.88 1.93 Allowed 'General case' 0 N--CA 1.455 -0.218 0 C-N-CA 123.044 0.538 . . . . 0.0 111.651 179.845 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . -150.65 142.0 23.33 Favored 'General case' 0 N--CA 1.453 -0.283 0 C-N-CA 122.384 0.273 . . . . 0.0 110.529 -179.65 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . -86.55 -2.4 84.89 Favored Glycine 0 CA--C 1.525 0.672 0 N-CA-C 112.088 -0.405 . . . . 0.0 112.088 178.192 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 97' ' ' VAL . . . . . 0.469 HG12 ' H ' ' A' ' 99' ' ' ARG . 30.9 t -123.52 138.63 52.7 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.232 0 N-CA-C 109.247 -0.649 . . . . 0.0 109.247 179.218 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 98' ' ' LYS . . . . . . . . . . . . . 35.3 mmtp -118.56 28.44 8.32 Favored 'General case' 0 C--O 1.232 0.162 0 C-N-CA 123.932 0.893 . . . . 0.0 111.172 -177.577 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 99' ' ' ARG . . . . . 0.469 ' H ' HG12 ' A' ' 97' ' ' VAL . 14.9 tpt180 -136.42 174.13 10.96 Favored 'General case' 0 CA--C 1.529 0.141 0 C-N-CA 123.875 0.87 . . . . 0.0 109.873 -177.374 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 100' ' ' SER . . . . . 0.415 ' H ' ' HG3' ' A' ' 99' ' ' ARG . 75.0 m -60.4 -18.14 48.66 Favored 'General case' 0 N--CA 1.457 -0.124 0 C-N-CA 123.478 0.711 . . . . 0.0 112.172 179.146 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 101' ' ' ALA . . . . . . . . . . . . . . . 52.63 16.51 0.66 Allowed 'General case' 0 CA--C 1.533 0.301 0 C-N-CA 123.94 0.896 . . . . 0.0 112.728 -177.069 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -148.01 5.85 0.77 Allowed 'General case' 0 N--CA 1.454 -0.261 0 C-N-CA 123.03 0.532 . . . . 0.0 111.496 -178.162 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 16.9 pt-20 -73.11 -7.67 52.35 Favored 'General case' 0 CA--C 1.533 0.306 0 O-C-N 122.034 -0.417 . . . . 0.0 111.917 -177.833 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 104' ' ' MET . . . . . . . . . . . . . 71.3 mtm -99.29 5.39 46.57 Favored 'General case' 0 N--CA 1.456 -0.157 0 C-N-CA 123.629 0.771 . . . . 0.0 111.487 -179.874 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 105' ' ' TYR . . . . . . . . . . . . . 49.3 m-85 -132.33 5.43 4.09 Favored 'General case' 0 CA--C 1.531 0.232 0 C-N-CA 122.936 0.494 . . . . 0.0 111.489 -177.748 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 106' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--N 1.337 0.628 0 N-CA-C 110.734 -0.946 . . . . 0.0 110.734 -179.83 . . . . . . . . 0 0 . 1 . 006 nuclear build full ' B' B ' 1' ' ' ' U' . . . . . 0.401 " H2'" ' O ' ' A' ' 93' ' ' GLY . . . . . . . . 0 O4'--C4' 1.422 -2.566 2 O4'-C1'-N19 112.836 4.636 . 0.0 '__' . 0.0 . . . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 2' ' ' ' U' . . . . . 0.47 H5'' ' CZ ' ' A' ' 19' ' ' PHE . . . . . . . . 0 O4'--C4' 1.421 -2.671 1 O4'-C1'-N19 112.672 4.472 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 3 3 . 1 . 006 nuclear build full ' B' B ' 3' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.421 -2.655 0 C5'-C4'-C3' 111.982 -2.345 . 0.404 0b . 0.0 . . . . . . . . . . 0 0 . 1 . 006 nuclear build full ' B' B ' 4' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.42 -2.725 1 O4'-C1'-N19 112.295 4.095 . 0.181 4b . 0.0 . . . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 5' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.423 -2.503 1 O4'-C1'-N19 113.237 5.037 . 0.516 2u . 0.0 . . . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.475 0.789 0 N-CA-C 110.784 -0.08 . . . . 0.0 110.784 . . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 36.1 t -68.96 159.12 33.32 Favored 'General case' 0 N--CA 1.456 -0.132 0 C-N-CA 122.74 0.416 . . . . 0.0 110.704 179.095 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 4' ' ' ASN . . . . . . . . . . . . . 95.3 m-20 -83.87 -4.28 58.56 Favored 'General case' 0 N--CA 1.457 -0.104 0 C-N-CA 122.251 0.22 . . . . 0.0 111.116 178.526 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 94.3 t -91.97 133.76 32.39 Favored 'Isoleucine or valine' 0 N--CA 1.456 -0.161 0 CA-C-O 120.787 0.327 . . . . 0.0 111.649 -175.143 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 72.9 p -149.72 5.55 0.6 Allowed 'General case' 0 C--O 1.225 -0.226 0 C-N-CA 124.124 0.969 . . . . 0.0 111.94 -178.355 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 7' ' ' ASN . . . . . . . . . . . . . 40.3 p30 -104.39 20.07 19.12 Favored 'General case' 0 C--N 1.341 0.198 0 N-CA-C 114.333 1.234 . . . . 0.0 114.333 -172.79 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 52.7 mtmt -64.25 140.2 58.84 Favored 'General case' 0 N--CA 1.457 -0.105 0 N-CA-C 109.677 -0.49 . . . . 0.0 109.677 177.171 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 66.9 p -111.2 14.06 21.76 Favored 'General case' 0 C--N 1.332 -0.161 0 N-CA-C 112.522 0.564 . . . . 0.0 112.522 -174.925 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 12.6 m-20 -63.92 151.04 90.38 Favored Pre-proline 0 CA--C 1.533 0.306 0 O-C-N 122.108 -0.37 . . . . 0.0 110.184 179.024 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 11' ' ' PRO . . . . . . . . . . . . . 66.2 Cg_endo -67.1 1.82 2.62 Favored 'Trans proline' 0 N--CA 1.456 -0.71 0 C-N-CA 124.224 3.283 . . . . 0.0 113.076 -174.537 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -127.71 -28.14 2.76 Favored 'General case' 0 C--N 1.339 0.138 0 CA-C-N 118.017 0.371 . . . . 0.0 110.425 176.898 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 72.9 m -79.21 -25.74 42.65 Favored 'General case' 0 N--CA 1.455 -0.185 0 CA-C-O 119.434 -0.317 . . . . 0.0 111.196 -179.696 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 14' ' ' MET . . . . . . . . . . . . . 12.7 ptm -88.28 -2.73 58.77 Favored 'General case' 0 N--CA 1.454 -0.227 0 C-N-CA 119.733 -0.787 . . . . 0.0 111.595 177.341 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 69.2 m-80 -103.36 -22.79 13.63 Favored 'General case' 0 N--CA 1.455 -0.181 0 C-N-CA 122.514 0.326 . . . . 0.0 110.547 175.208 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 81.5 p -86.35 6.24 30.95 Favored 'General case' 0 CA--C 1.531 0.245 0 C-N-CA 122.955 0.502 . . . . 0.0 110.974 171.483 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 28.9 ttp-105 -101.34 154.01 19.16 Favored 'General case' 0 N--CA 1.455 -0.215 0 C-N-CA 123.691 0.796 . . . . 0.0 109.965 177.604 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 97.5 t -128.93 131.88 67.87 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.273 0 C-N-CA 123.128 0.571 . . . . 0.0 110.081 177.323 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 23.1 t80 -89.62 135.21 33.74 Favored 'General case' 0 N--CA 1.45 -0.429 0 C-N-CA 123.668 0.787 . . . . 0.0 109.433 175.183 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 64.0 mt -122.55 85.5 0.95 Allowed 'Isoleucine or valine' 0 N--CA 1.456 -0.172 0 N-CA-C 108.101 -1.074 . . . . 0.0 108.101 179.559 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -85.18 174.14 48.96 Favored Glycine 0 CA--C 1.522 0.523 0 N-CA-C 110.821 -0.911 . . . . 0.0 110.821 178.656 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 56.0 t30 48.92 48.09 20.89 Favored 'General case' 0 CA--C 1.532 0.251 0 C-N-CA 123.114 0.566 . . . . 0.0 110.969 -178.835 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 51.6 tp -97.38 143.61 27.95 Favored 'General case' 0 N--CA 1.454 -0.237 0 C-N-CA 123.016 0.527 . . . . 0.0 109.89 179.594 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 64.2 t30 -69.85 -38.81 76.58 Favored 'General case' 0 CA--C 1.529 0.172 0 C-N-CA 121.079 -0.249 . . . . 0.0 111.454 -178.179 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 30.1 p 56.7 -4.93 0.03 OUTLIER 'General case' 0 N--CA 1.468 0.465 0 C-N-CA 126.978 2.111 . . . . 0.0 115.234 179.441 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 3.8 mm? -88.92 -16.22 32.41 Favored 'General case' 0 CA--C 1.528 0.128 0 CA-C-N 118.395 0.543 . . . . 0.0 111.37 177.979 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 48.4 t -127.17 -18.32 2.57 Favored 'Isoleucine or valine' 0 CA--C 1.528 0.099 0 C-N-CA 122.917 0.487 . . . . 0.0 110.875 179.763 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 58.2 t -110.21 139.78 32.12 Favored 'Isoleucine or valine' 0 C--N 1.339 0.119 0 O-C-N 122.182 -0.324 . . . . 0.0 110.335 178.059 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 2.9 mptp? -133.34 171.87 13.47 Favored 'General case' 0 CA--C 1.521 -0.159 0 C-N-CA 124.589 1.156 . . . . 0.0 109.688 -179.541 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 7.3 ptmm? -62.72 -10.12 11.59 Favored 'General case' 0 CA--C 1.53 0.206 0 C-N-CA 124.17 0.988 . . . . 0.0 112.517 -179.0 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 53.5 p -93.07 -15.11 26.48 Favored 'General case' 0 N--CA 1.457 -0.104 0 C-N-CA 123.431 0.692 . . . . 0.0 110.705 177.175 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 44.0 m-20 -98.12 -36.0 10.22 Favored 'General case' 0 N--CA 1.451 -0.401 0 C-N-CA 124.355 1.062 . . . . 0.0 110.316 178.079 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 71.2 t -62.39 -33.15 57.69 Favored 'Isoleucine or valine' 0 N--CA 1.456 -0.145 0 N-CA-C 109.609 -0.515 . . . . 0.0 109.609 179.05 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 24.6 pt-20 -80.45 8.31 7.95 Favored 'General case' 0 C--O 1.232 0.182 0 N-CA-C 111.916 0.339 . . . . 0.0 111.916 179.26 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -126.63 -7.67 6.24 Favored 'General case' 0 CA--C 1.53 0.206 0 C-N-CA 123.145 0.578 . . . . 0.0 111.053 176.613 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 76.3 mt -109.43 -27.36 2.93 Favored 'Isoleucine or valine' 0 C--N 1.339 0.109 0 C-N-CA 123.125 0.57 . . . . 0.0 110.287 179.174 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 37' ' ' PHE . . . . . . . . . . . . . 69.0 m-85 -103.65 -8.0 20.28 Favored 'General case' 0 N--CA 1.454 -0.26 0 C-N-CA 122.625 0.37 . . . . 0.0 110.869 179.881 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 25.2 t -74.34 -13.17 60.71 Favored 'General case' 0 CA--C 1.53 0.186 0 CA-C-O 120.701 0.286 . . . . 0.0 111.125 -178.901 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 13.3 ptmm? -81.52 -11.13 59.29 Favored 'General case' 0 C--N 1.339 0.111 0 C-N-CA 122.916 0.486 . . . . 0.0 112.013 179.345 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 40' ' ' TYR . . . . . . . . . . . . . 68.5 m-85 -107.13 -15.33 14.7 Favored 'General case' 0 C--N 1.339 0.142 0 CA-C-N 117.861 0.3 . . . . 0.0 111.421 178.804 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -176.82 160.91 28.47 Favored Glycine 0 C--N 1.333 0.384 0 N-CA-C 112.033 -0.427 . . . . 0.0 112.033 174.865 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 77.3 tttt -71.57 115.76 11.13 Favored 'General case' 0 N--CA 1.453 -0.309 0 N-CA-C 108.977 -0.749 . . . . 0.0 108.977 177.977 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 43' ' ' ILE . . . . . . . . . . . . . 77.6 mt -83.58 129.32 37.72 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.201 0 N-CA-C 109.756 -0.461 . . . . 0.0 109.756 -178.954 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 34.1 m -109.6 -8.11 11.35 Favored 'Isoleucine or valine' 0 C--O 1.231 0.114 0 C-N-CA 123.051 0.541 . . . . 0.0 110.757 178.865 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . -167.21 147.93 12.48 Favored Glycine 0 CA--C 1.522 0.501 0 N-CA-C 109.878 -1.289 . . . . 0.0 109.878 177.895 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 46' ' ' CYS . . . . . . . . . . . . . 21.6 p -150.53 150.92 31.88 Favored 'General case' 0 N--CA 1.452 -0.349 0 O-C-N 122.332 -0.51 . . . . 0.0 110.056 179.876 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 91.7 p -156.47 143.65 18.95 Favored 'General case' 0 N--CA 1.451 -0.393 0 N-CA-C 109.942 -0.392 . . . . 0.0 109.942 175.929 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 48' ' ' VAL . . . . . . . . . . . . . 87.3 t -120.61 146.1 26.01 Favored 'Isoleucine or valine' 0 C--O 1.232 0.14 0 N-CA-C 109.104 -0.702 . . . . 0.0 109.104 174.144 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 49' ' ' HIS . . . . . . . . . . . . . 43.5 m-70 -135.17 -168.98 2.28 Favored 'General case' 0 N--CA 1.451 -0.425 0 C-N-CA 124.417 1.087 . . . . 0.0 108.236 -176.093 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 38.5 mtmm -84.72 117.05 23.57 Favored 'General case' 0 N--CA 1.452 -0.374 0 O-C-N 121.787 -0.571 . . . . 0.0 109.966 177.605 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 79.82 -8.84 47.85 Favored Glycine 0 CA--C 1.531 1.093 0 CA-C-O 119.186 -0.786 . . . . 0.0 113.848 177.849 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 53.6 p90 -150.38 168.56 23.76 Favored 'General case' 0 CA--C 1.529 0.143 0 CA-C-N 118.86 1.33 . . . . 0.0 111.442 178.664 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -147.63 171.77 15.09 Favored 'General case' 0 N--CA 1.456 -0.172 0 C-N-CA 124.311 1.044 . . . . 0.0 110.312 176.123 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 54' ' ' PHE . . . . . . . . . . . . . 15.3 m-85 -140.14 146.62 39.04 Favored 'General case' 0 N--CA 1.454 -0.24 0 C-N-CA 123.585 0.754 . . . . 0.0 110.53 179.268 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 99.0 t -135.19 137.88 49.57 Favored 'Isoleucine or valine' 0 CA--C 1.517 -0.29 0 C-N-CA 123.63 0.772 . . . . 0.0 109.164 178.301 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 56' ' ' GLN . . . . . . . . . . . . . 60.4 tp60 -118.04 129.8 55.78 Favored 'General case' 0 N--CA 1.445 -0.678 0 N-CA-C 109.315 -0.624 . . . . 0.0 109.315 -176.31 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 57' ' ' TYR . . . . . . . . . . . . . 44.3 m-85 -112.33 176.83 4.85 Favored 'General case' 0 N--CA 1.455 -0.214 0 C-N-CA 123.516 0.726 . . . . 0.0 110.971 -179.281 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 58' ' ' VAL . . . . . . . . . . . . . 73.6 t -72.67 -30.71 34.46 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.193 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.329 178.787 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 59' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -156.35 170.7 21.68 Favored 'General case' 0 CA--C 1.529 0.169 0 N-CA-C 112.23 0.456 . . . . 0.0 112.23 178.178 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 78.1 tt0 -60.72 -30.63 70.09 Favored 'General case' 0 N--CA 1.457 -0.092 0 C-N-CA 123.588 0.755 . . . . 0.0 112.181 -177.719 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 24.8 tpt180 -58.33 -39.54 79.71 Favored 'General case' 0 C--N 1.339 0.115 0 CA-C-N 119.039 0.836 . . . . 0.0 109.862 179.401 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 62' ' ' ASN . . . . . . . . . . . . . 20.2 m120 -71.27 -25.06 62.3 Favored 'General case' 0 N--CA 1.45 -0.432 0 C-N-CA 120.711 -0.396 . . . . 0.0 111.122 -179.598 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -74.88 -38.37 61.93 Favored 'General case' 0 N--CA 1.453 -0.277 0 N-CA-C 110.473 -0.195 . . . . 0.0 110.473 177.923 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 64' ' ' ARG . . . . . . . . . . . . . 37.7 mmt180 -68.78 -26.57 65.28 Favored 'General case' 0 N--CA 1.457 -0.084 0 O-C-N 122.381 -0.199 . . . . 0.0 110.538 179.342 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -79.32 -32.79 43.51 Favored 'General case' 0 N--CA 1.452 -0.362 0 C-N-CA 122.005 0.122 . . . . 0.0 110.913 -178.943 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -83.53 -34.06 25.34 Favored 'General case' 0 N--CA 1.453 -0.277 0 O-C-N 122.267 -0.271 . . . . 0.0 111.437 179.231 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 67' ' ' VAL . . . . . . . . . . . . . 49.7 t -65.71 -32.48 58.38 Favored 'Isoleucine or valine' 0 N--CA 1.456 -0.129 0 N-CA-C 109.962 -0.385 . . . . 0.0 109.962 175.302 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -93.49 -10.27 35.52 Favored 'General case' 0 CA--C 1.529 0.166 0 N-CA-C 112.049 0.389 . . . . 0.0 112.049 178.282 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . -101.78 -14.22 30.01 Favored Glycine 0 CA--C 1.528 0.898 0 CA-C-O 119.396 -0.669 . . . . 0.0 113.894 -177.687 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 42.2 mm-40 -132.58 -19.3 2.4 Favored 'General case' 0 N--CA 1.465 0.3 0 CA-C-N 118.548 1.174 . . . . 0.0 112.375 -174.093 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 20.9 t70 -61.59 118.3 6.88 Favored 'General case' 0 N--CA 1.454 -0.236 0 O-C-N 121.288 -0.883 . . . . 0.0 109.986 178.243 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . 87.28 10.35 71.31 Favored Glycine 0 C--N 1.336 0.567 0 N-CA-C 111.017 -0.833 . . . . 0.0 111.017 179.132 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 73' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -75.6 169.69 17.61 Favored 'General case' 0 N--CA 1.451 -0.411 0 N-CA-C 106.419 -1.697 . . . . 0.0 106.419 171.563 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 74' ' ' MET . . . . . . . . . . . . . 33.4 ttm -115.63 121.32 42.22 Favored 'General case' 0 N--CA 1.449 -0.511 0 N-CA-C 109.23 -0.656 . . . . 0.0 109.23 -177.197 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 75' ' ' ILE . . . . . . . . . . . . . 0.2 OUTLIER -128.39 135.65 62.04 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.352 0 CA-C-N 115.976 -0.556 . . . . 0.0 109.542 179.664 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . 54.81 17.9 1.95 Allowed 'General case' 0 CA--C 1.535 0.366 0 C-N-CA 123.198 0.599 . . . . 0.0 112.22 -174.413 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 89.08 5.02 73.87 Favored Glycine 0 CA--C 1.528 0.879 0 CA-C-O 119.623 -0.543 . . . . 0.0 111.998 -179.186 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 78' ' ' GLN . . . . . . . . . . . . . 1.0 OUTLIER -125.16 131.67 53.19 Favored 'General case' 0 N--CA 1.453 -0.312 0 CA-C-N 117.8 0.8 . . . . 0.0 110.251 -179.425 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 79' ' ' VAL . . . . . . . . . . . . . 50.1 t -62.94 141.74 17.68 Favored 'Isoleucine or valine' 0 N--CA 1.462 0.145 0 C-N-CA 124.402 1.081 . . . . 0.0 110.24 -178.865 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 32.3 mt -96.85 155.63 16.69 Favored 'General case' 0 C--O 1.231 0.113 0 CA-C-O 120.886 0.374 . . . . 0.0 111.059 176.612 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 81' ' ' ASP . . . . . . . . . . . . . 4.2 m-20 -123.3 99.27 6.25 Favored 'General case' 0 N--CA 1.452 -0.355 0 N-CA-C 107.741 -1.207 . . . . 0.0 107.741 176.561 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 82' ' ' ILE . . . . . . . . . . . . . 63.9 mt -113.39 141.66 28.47 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.272 0 C-N-CA 123.348 0.659 . . . . 0.0 109.967 -170.247 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 83' ' ' ASN . . . . . . . . . . . . . 52.7 t30 -154.58 157.28 38.01 Favored 'General case' 0 N--CA 1.456 -0.153 0 C-N-CA 122.664 0.386 . . . . 0.0 111.235 -175.237 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 84' ' ' LEU . . . . . . . . . . . . . 1.2 tm? -60.78 127.77 33.28 Favored 'General case' 0 N--CA 1.452 -0.34 0 N-CA-C 108.316 -0.994 . . . . 0.0 108.316 172.516 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . -63.97 0.24 0.94 Allowed 'General case' 0 CA--C 1.531 0.234 0 N-CA-C 114.76 1.393 . . . . 0.0 114.76 -172.823 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . -127.75 10.82 6.62 Favored 'General case' 0 N--CA 1.455 -0.212 0 CA-C-N 118.769 0.713 . . . . 0.0 112.132 -177.856 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 96.8 mt-10 -138.58 58.95 15.29 Favored Pre-proline 0 C--O 1.233 0.201 0 C-N-CA 122.599 0.359 . . . . 0.0 111.431 -177.479 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 88' ' ' PRO . . . . . . . . . . . . . 42.8 Cg_endo -62.01 142.85 94.11 Favored 'Trans proline' 0 N--CA 1.45 -1.033 0 C-N-CA 122.015 1.81 . . . . 0.0 108.73 177.524 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 89' ' ' LYS . . . . . 0.536 ' HG3' ' H ' ' A' ' 90' ' ' VAL . 5.6 ptpp? -141.3 -85.24 0.19 Allowed 'General case' 0 N--CA 1.454 -0.262 0 N-CA-C 111.924 0.342 . . . . 0.0 111.924 -171.574 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 90' ' ' VAL . . . . . 0.536 ' H ' ' HG3' ' A' ' 89' ' ' LYS . 7.9 m -137.62 -17.06 0.55 Allowed 'Isoleucine or valine' 0 N--CA 1.455 -0.183 0 C-N-CA 124.131 0.973 . . . . 0.0 112.039 -177.409 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 91' ' ' ASN . . . . . . . . . . . . . 39.9 m-80 -82.24 24.83 0.64 Allowed 'General case' 0 N--CA 1.453 -0.278 0 C-N-CA 123.688 0.795 . . . . 0.0 111.496 -179.879 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 92' ' ' ARG . . . . . . . . . . . . . 47.4 ttt180 -128.54 128.49 44.39 Favored 'General case' 0 N--CA 1.453 -0.325 0 N-CA-C 108.789 -0.819 . . . . 0.0 108.789 174.156 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . -167.55 -141.5 3.19 Favored Glycine 0 CA--C 1.525 0.67 0 N-CA-C 108.378 -1.889 . . . . 0.0 108.378 -179.505 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 95.1 mttt -133.1 -3.39 3.13 Favored 'General case' 0 C--O 1.233 0.2 0 CA-C-N 117.359 0.58 . . . . 0.0 111.766 177.392 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . -155.96 168.37 27.46 Favored 'General case' 0 N--CA 1.453 -0.291 0 C-N-CA 122.539 0.335 . . . . 0.0 110.576 -177.578 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . -74.59 -2.87 65.12 Favored Glycine 0 CA--C 1.529 0.963 0 CA-C-O 119.834 -0.426 . . . . 0.0 112.23 178.844 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 97' ' ' VAL . . . . . 0.474 HG22 ' H ' ' A' ' 99' ' ' ARG . 10.6 p -109.43 139.55 31.93 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.234 0 CA-C-N 117.476 0.638 . . . . 0.0 109.65 177.893 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 98' ' ' LYS . . . . . . . . . . . . . 34.9 mmtp -121.62 15.93 11.13 Favored 'General case' 0 CA--C 1.529 0.153 0 C-N-CA 123.558 0.743 . . . . 0.0 111.553 -177.256 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 99' ' ' ARG . . . . . 0.474 ' H ' HG22 ' A' ' 97' ' ' VAL . 53.0 ttt180 -103.97 171.78 7.16 Favored 'General case' 0 N--CA 1.456 -0.172 0 C-N-CA 124.235 1.014 . . . . 0.0 109.593 -179.273 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 58.2 m -63.53 -15.9 59.25 Favored 'General case' 0 CA--C 1.528 0.121 0 C-N-CA 122.446 0.298 . . . . 0.0 111.606 176.858 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 101' ' ' ALA . . . . . . . . . . . . . . . 52.41 14.1 0.35 Allowed 'General case' 0 CA--C 1.532 0.287 0 C-N-CA 124.215 1.006 . . . . 0.0 112.909 -176.968 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -149.45 2.18 0.54 Allowed 'General case' 0 CA--C 1.532 0.287 0 C-N-CA 123.208 0.603 . . . . 0.0 112.207 -178.128 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 103' ' ' GLU . . . . . 0.405 ' CD ' ' HE ' ' A' ' 99' ' ' ARG . 11.7 pt-20 -80.12 -4.01 51.16 Favored 'General case' 0 CA--C 1.529 0.157 0 O-C-N 121.986 -0.446 . . . . 0.0 112.09 -178.066 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 104' ' ' MET . . . . . . . . . . . . . 73.4 mtm -105.98 10.01 32.42 Favored 'General case' 0 CA--C 1.532 0.251 0 C-N-CA 123.776 0.831 . . . . 0.0 111.351 -179.634 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 105' ' ' TYR . . . . . . . . . . . . . 61.8 m-85 -130.77 2.82 4.46 Favored 'General case' 0 CA--C 1.529 0.146 0 C-N-CA 122.943 0.497 . . . . 0.0 111.617 -178.639 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 106' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--N 1.337 0.635 0 N-CA-C 110.516 -1.033 . . . . 0.0 110.516 179.979 . . . . . . . . 0 0 . 1 . 007 nuclear build full ' B' B ' 1' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.42 -2.745 1 C5'-C4'-C3' 109.112 -4.259 . 0.0 '__' . 0.0 . . . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 2' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.419 -2.875 1 O4'-C1'-N19 112.868 4.668 . 0.0 OUTLIER '7D dist 4b' 0.0 . . . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 3' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.418 -2.924 0 O4'-C1'-N19 110.767 2.567 . 0.103 0b . 0.0 . . . . . . . . . . 0 0 . 1 . 007 nuclear build full ' B' B ' 4' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.422 -2.589 1 O4'-C1'-N19 112.461 4.261 . 0.23 4b . 0.0 . . . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 5' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.416 -3.081 1 O4'-C1'-N19 112.577 4.377 . 0.283 2a . 0.0 . . . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.476 0.856 0 CA-C-O 120.643 0.259 . . . . 0.0 110.87 . . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 35.0 t -66.51 158.82 28.67 Favored 'General case' 0 CA--C 1.527 0.09 0 C-N-CA 122.746 0.418 . . . . 0.0 110.974 179.755 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 4' ' ' ASN . . . . . . . . . . . . . 3.4 p-10 -89.06 -0.53 57.51 Favored 'General case' 0 N--CA 1.454 -0.238 0 C-N-CA 122.953 0.501 . . . . 0.0 111.225 177.987 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 91.8 t -94.26 133.2 36.06 Favored 'Isoleucine or valine' 0 N--CA 1.456 -0.151 0 C-N-CA 122.691 0.397 . . . . 0.0 110.921 -177.005 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 65.7 p -146.98 9.78 1.0 Allowed 'General case' 0 CA--C 1.529 0.154 0 C-N-CA 123.485 0.714 . . . . 0.0 111.701 -179.85 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 7' ' ' ASN . . . . . . . . . . . . . 62.8 t-20 -122.04 107.66 12.47 Favored 'General case' 0 C--O 1.231 0.128 0 CA-C-N 118.931 0.787 . . . . 0.0 111.484 -177.727 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 53.0 mtmt -149.96 164.52 35.25 Favored 'General case' 0 CA--C 1.528 0.111 0 C-N-CA 125.849 1.66 . . . . 0.0 107.98 173.903 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 78.9 p -124.27 21.29 8.79 Favored 'General case' 0 N--CA 1.462 0.138 0 N-CA-C 112.378 0.51 . . . . 0.0 112.378 -177.231 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 23.1 m-20 -65.13 149.75 96.43 Favored Pre-proline 0 C--O 1.232 0.168 0 N-CA-C 110.217 -0.29 . . . . 0.0 110.217 177.908 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 11' ' ' PRO . . . . . . . . . . . . . 74.4 Cg_endo -67.49 1.77 2.86 Favored 'Trans proline' 0 N--CA 1.457 -0.642 0 C-N-CA 124.076 3.184 . . . . 0.0 113.252 -173.756 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -133.58 -31.84 1.18 Allowed 'General case' 0 N--CA 1.457 -0.1 0 CA-C-N 118.315 0.507 . . . . 0.0 110.731 177.343 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 18.3 m -75.23 -22.2 58.06 Favored 'General case' 0 N--CA 1.456 -0.167 0 O-C-N 122.205 -0.31 . . . . 0.0 111.776 -177.641 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 14' ' ' MET . . . . . . . . . . . . . 15.8 ptm -91.05 -0.92 57.84 Favored 'General case' 0 CA--C 1.533 0.303 0 CA-C-N 118.593 0.633 . . . . 0.0 111.759 176.107 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 38.9 m-80 -106.17 -18.04 14.13 Favored 'General case' 0 CA--C 1.531 0.241 0 C-N-CA 122.817 0.447 . . . . 0.0 110.652 177.299 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 77.8 p -90.21 12.6 17.57 Favored 'General case' 0 N--CA 1.454 -0.236 0 C-N-CA 123.703 0.801 . . . . 0.0 110.948 170.736 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 36.6 ttm180 -106.04 154.19 20.97 Favored 'General case' 0 C--O 1.232 0.169 0 C-N-CA 124.459 1.104 . . . . 0.0 110.271 -179.108 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 87.5 t -130.06 132.43 65.4 Favored 'Isoleucine or valine' 0 N--CA 1.456 -0.155 0 CA-C-O 120.752 0.31 . . . . 0.0 110.295 177.42 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 25.6 t80 -93.16 132.53 37.22 Favored 'General case' 0 N--CA 1.452 -0.372 0 C-N-CA 123.97 0.908 . . . . 0.0 109.011 175.622 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 63.1 mt -120.69 85.59 0.93 Allowed 'Isoleucine or valine' 0 N--CA 1.454 -0.229 0 N-CA-C 108.039 -1.097 . . . . 0.0 108.039 -179.374 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -84.34 174.53 50.66 Favored Glycine 0 CA--C 1.523 0.59 0 N-CA-C 110.75 -0.94 . . . . 0.0 110.75 178.423 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 62.3 t30 48.62 47.79 20.34 Favored 'General case' 0 CA--C 1.53 0.187 0 C-N-CA 123.143 0.577 . . . . 0.0 111.207 -179.002 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 52.7 tp -99.72 145.05 28.09 Favored 'General case' 0 N--CA 1.453 -0.296 0 N-CA-C 109.269 -0.641 . . . . 0.0 109.269 179.499 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 64.8 t30 -68.71 -39.73 80.33 Favored 'General case' 0 N--CA 1.456 -0.16 0 O-C-N 122.326 -0.234 . . . . 0.0 111.019 -178.232 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 27.7 p 55.18 -0.83 0.03 OUTLIER 'General case' 0 N--CA 1.465 0.298 0 C-N-CA 126.904 2.081 . . . . 0.0 115.503 178.521 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 79.2 mt -89.45 -20.69 23.6 Favored 'General case' 0 N--CA 1.453 -0.314 0 C-N-CA 123.558 0.743 . . . . 0.0 111.748 175.634 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 60.9 t -120.87 -26.67 2.17 Favored 'Isoleucine or valine' 0 N--CA 1.462 0.127 0 C-N-CA 122.776 0.43 . . . . 0.0 111.374 -178.516 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 51.4 t -101.46 146.44 9.79 Favored 'Isoleucine or valine' 0 CA--C 1.527 0.087 0 CA-C-N 117.989 0.359 . . . . 0.0 110.092 179.602 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 8.1 mptt -134.98 171.46 14.39 Favored 'General case' 0 C--O 1.227 -0.098 0 C-N-CA 123.432 0.693 . . . . 0.0 110.294 -178.332 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 5.8 ptmm? -65.35 -6.75 10.85 Favored 'General case' 0 CA--C 1.529 0.147 0 C-N-CA 123.902 0.881 . . . . 0.0 112.01 178.818 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 40.9 m -98.72 -0.15 43.37 Favored 'General case' 0 CA--C 1.529 0.163 0 C-N-CA 123.509 0.723 . . . . 0.0 110.704 175.255 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 21.7 m-20 -115.84 -34.27 4.85 Favored 'General case' 0 N--CA 1.453 -0.312 0 C-N-CA 124.026 0.93 . . . . 0.0 110.343 179.939 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 84.7 t -65.37 -31.02 52.02 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.202 0 N-CA-C 108.819 -0.808 . . . . 0.0 108.819 178.643 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 25.4 pt-20 -79.6 8.61 6.17 Favored 'General case' 0 CA--C 1.532 0.257 0 N-CA-C 111.844 0.312 . . . . 0.0 111.844 177.875 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -126.97 -8.14 6.02 Favored 'General case' 0 N--CA 1.455 -0.217 0 C-N-CA 123.331 0.652 . . . . 0.0 111.147 176.911 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 74.6 mt -108.91 -27.56 2.91 Favored 'Isoleucine or valine' 0 C--N 1.339 0.124 0 C-N-CA 123.284 0.634 . . . . 0.0 110.375 178.671 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 37' ' ' PHE . . . . . . . . . . . . . 57.4 m-85 -102.83 -8.82 20.46 Favored 'General case' 0 N--CA 1.453 -0.307 0 C-N-CA 122.66 0.384 . . . . 0.0 110.784 -179.84 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 69.1 p -72.63 -15.15 61.73 Favored 'General case' 0 C--N 1.335 -0.058 0 C-N-CA 122.646 0.378 . . . . 0.0 111.535 -178.749 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 18.5 ptmt -80.02 -11.69 59.76 Favored 'General case' 0 N--CA 1.457 -0.125 0 C-N-CA 123.054 0.541 . . . . 0.0 112.342 179.011 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 40' ' ' TYR . . . . . . . . . . . . . 70.1 m-85 -105.68 -16.06 14.79 Favored 'General case' 0 C--O 1.233 0.208 0 C-N-CA 122.426 0.29 . . . . 0.0 111.308 178.125 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -175.74 161.66 30.53 Favored Glycine 0 CA--C 1.524 0.611 0 N-CA-C 111.864 -0.494 . . . . 0.0 111.864 174.319 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 78.1 tttt -71.65 114.83 10.14 Favored 'General case' 0 N--CA 1.452 -0.35 0 N-CA-C 108.72 -0.844 . . . . 0.0 108.72 177.52 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 43' ' ' ILE . . . . . . . . . . . . . 75.8 mt -84.05 129.84 36.91 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.26 0 N-CA-C 109.515 -0.55 . . . . 0.0 109.515 -178.536 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 33.6 m -108.89 -6.01 10.92 Favored 'Isoleucine or valine' 0 C--O 1.231 0.119 0 C-N-CA 123.293 0.637 . . . . 0.0 110.766 178.923 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . -170.0 146.25 9.82 Favored Glycine 0 CA--C 1.526 0.761 0 N-CA-C 109.961 -1.256 . . . . 0.0 109.961 177.517 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 46' ' ' CYS . . . . . . . . . . . . . 42.5 t -151.1 146.26 26.04 Favored 'General case' 0 N--CA 1.451 -0.395 0 CA-C-N 116.914 0.357 . . . . 0.0 110.254 -179.135 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 92.5 p -152.06 150.65 30.17 Favored 'General case' 0 N--CA 1.451 -0.395 0 CA-C-O 121.022 0.439 . . . . 0.0 110.096 177.204 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 48' ' ' VAL . . . . . . . . . . . . . 97.5 t -128.42 149.14 32.97 Favored 'Isoleucine or valine' 0 N--CA 1.456 -0.136 0 N-CA-C 108.617 -0.882 . . . . 0.0 108.617 175.534 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 49' ' ' HIS . . . . . . . . . . . . . 48.6 m-70 -136.02 -160.18 1.03 Allowed 'General case' 0 N--CA 1.451 -0.422 0 N-CA-C 107.961 -1.126 . . . . 0.0 107.961 -176.468 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 29.3 mmmt -97.15 117.81 32.18 Favored 'General case' 0 N--CA 1.456 -0.172 0 O-C-N 121.668 -0.645 . . . . 0.0 109.801 175.969 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 83.85 -9.39 62.95 Favored Glycine 0 CA--C 1.531 1.069 0 C-N-CA 123.627 0.632 . . . . 0.0 113.188 179.4 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 44.7 p90 -153.92 170.14 21.75 Favored 'General case' 0 C--O 1.232 0.138 0 CA-C-N 118.566 1.183 . . . . 0.0 111.919 179.488 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -148.75 172.32 14.8 Favored 'General case' 0 CA--C 1.531 0.224 0 C-N-CA 124.085 0.954 . . . . 0.0 110.06 176.256 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 54' ' ' PHE . . . . . . . . . . . . . 7.6 m-85 -139.67 148.88 43.01 Favored 'General case' 0 N--CA 1.455 -0.193 0 C-N-CA 123.325 0.65 . . . . 0.0 110.647 179.034 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 99.4 t -135.67 149.18 28.04 Favored 'Isoleucine or valine' 0 CA--C 1.519 -0.238 0 C-N-CA 123.938 0.895 . . . . 0.0 108.862 177.558 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 56' ' ' GLN . . . . . . . . . . . . . 65.1 tp60 -129.28 131.68 47.03 Favored 'General case' 0 N--CA 1.451 -0.4 0 N-CA-C 109.2 -0.667 . . . . 0.0 109.2 -178.689 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 57' ' ' TYR . . . . . . . . . . . . . 45.0 m-85 -114.74 176.29 5.12 Favored 'General case' 0 N--CA 1.457 -0.103 0 C-N-CA 123.467 0.707 . . . . 0.0 110.801 -179.003 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 58' ' ' VAL . . . . . . . . . . . . . 72.1 t -72.12 -31.23 39.05 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.357 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.056 178.116 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 59' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -155.78 168.53 26.91 Favored 'General case' 0 N--CA 1.454 -0.27 0 N-CA-C 112.302 0.482 . . . . 0.0 112.302 178.133 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 76.7 tt0 -58.19 -31.49 67.35 Favored 'General case' 0 CA--C 1.529 0.165 0 C-N-CA 123.952 0.901 . . . . 0.0 112.249 -178.678 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 19.2 tpp180 -59.13 -38.76 80.43 Favored 'General case' 0 C--O 1.23 0.065 0 CA-C-N 118.864 0.757 . . . . 0.0 110.124 -179.694 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 62' ' ' ASN . . . . . . . . . . . . . 19.4 m120 -71.29 -24.95 62.25 Favored 'General case' 0 N--CA 1.451 -0.405 0 C-N-CA 121.058 -0.257 . . . . 0.0 110.868 179.839 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -76.13 -37.21 58.32 Favored 'General case' 0 N--CA 1.455 -0.211 0 N-CA-C 110.045 -0.354 . . . . 0.0 110.045 178.473 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 64' ' ' ARG . . . . . . . . . . . . . 39.6 mmt180 -67.49 -28.12 67.58 Favored 'General case' 0 C--O 1.23 0.054 0 N-CA-C 109.86 -0.422 . . . . 0.0 109.86 178.283 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -77.81 -33.09 52.63 Favored 'General case' 0 N--CA 1.453 -0.315 0 CA-C-N 117.524 0.147 . . . . 0.0 110.873 -178.833 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -83.5 -34.95 25.22 Favored 'General case' 0 N--CA 1.452 -0.336 0 N-CA-C 111.632 0.234 . . . . 0.0 111.632 179.693 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 67' ' ' VAL . . . . . . . . . . . . . 51.8 t -65.58 -30.7 50.96 Favored 'Isoleucine or valine' 0 C--O 1.227 -0.088 0 N-CA-C 110.019 -0.363 . . . . 0.0 110.019 175.805 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -95.51 -10.07 30.74 Favored 'General case' 0 CA--C 1.531 0.219 0 N-CA-C 112.156 0.428 . . . . 0.0 112.156 177.917 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . -101.71 -14.03 30.68 Favored Glycine 0 CA--C 1.529 0.949 0 CA-C-O 119.175 -0.791 . . . . 0.0 113.87 -177.673 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 41.0 mm-40 -132.37 -18.96 2.49 Favored 'General case' 0 N--CA 1.463 0.188 0 CA-C-N 118.654 1.227 . . . . 0.0 112.116 -174.194 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 20.6 t70 -61.59 117.95 6.43 Favored 'General case' 0 N--CA 1.455 -0.188 0 O-C-N 121.337 -0.852 . . . . 0.0 110.008 178.579 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . 87.4 9.7 72.16 Favored Glycine 0 C--N 1.338 0.649 0 N-CA-C 111.271 -0.732 . . . . 0.0 111.271 179.636 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 73' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -75.19 169.67 17.56 Favored 'General case' 0 N--CA 1.451 -0.407 0 N-CA-C 106.555 -1.646 . . . . 0.0 106.555 171.175 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 74' ' ' MET . . . . . . . . . . . . . 34.3 ttm -115.28 121.56 43.26 Favored 'General case' 0 N--CA 1.448 -0.563 0 N-CA-C 109.404 -0.591 . . . . 0.0 109.404 -177.12 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 75' ' ' ILE . . . . . . . . . . . . . 0.2 OUTLIER -129.14 136.35 59.8 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.286 0 N-CA-C 109.396 -0.594 . . . . 0.0 109.396 179.544 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . 54.31 17.88 1.67 Allowed 'General case' 0 CA--C 1.532 0.262 0 C-N-CA 123.146 0.578 . . . . 0.0 112.143 -174.088 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 88.68 4.53 75.93 Favored Glycine 0 CA--C 1.527 0.808 0 CA-C-O 119.64 -0.533 . . . . 0.0 112.079 -179.369 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 78' ' ' GLN . . . . . . . . . . . . . 1.0 OUTLIER -124.05 131.57 53.57 Favored 'General case' 0 N--CA 1.452 -0.366 0 CA-C-N 117.711 0.756 . . . . 0.0 110.151 -179.371 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 79' ' ' VAL . . . . . . . . . . . . . 51.2 t -63.59 140.92 18.87 Favored 'Isoleucine or valine' 0 N--CA 1.46 0.069 0 C-N-CA 123.985 0.914 . . . . 0.0 110.542 -178.915 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 31.0 mt -94.92 157.39 15.93 Favored 'General case' 0 C--O 1.23 0.042 0 CA-C-O 120.896 0.379 . . . . 0.0 111.437 177.354 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 81' ' ' ASP . . . . . . . . . . . . . 38.6 t70 -124.05 101.01 7.0 Favored 'General case' 0 N--CA 1.453 -0.287 0 N-CA-C 107.796 -1.187 . . . . 0.0 107.796 175.887 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 82' ' ' ILE . . . . . . . . . . . . . 62.6 mt -114.96 138.79 44.1 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.238 0 C-N-CA 122.725 0.41 . . . . 0.0 110.397 -170.83 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 83' ' ' ASN . . . . . . . . . . . . . 6.1 t30 -154.01 158.02 39.96 Favored 'General case' 0 N--CA 1.454 -0.231 0 C-N-CA 123.15 0.58 . . . . 0.0 109.594 -175.863 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 84' ' ' LEU . . . . . . . . . . . . . 9.7 tp -61.5 143.49 55.84 Favored 'General case' 0 N--CA 1.45 -0.442 0 O-C-N 121.697 -0.627 . . . . 0.0 109.832 174.886 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . -70.93 -2.18 14.32 Favored 'General case' 0 CA--C 1.532 0.288 0 N-CA-C 113.159 0.8 . . . . 0.0 113.159 -177.098 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . -129.16 8.31 5.56 Favored 'General case' 0 N--CA 1.457 -0.112 0 CA-C-N 118.475 0.579 . . . . 0.0 112.523 -175.818 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 96.6 mt-10 -138.44 54.38 6.87 Favored Pre-proline 0 CA--C 1.529 0.139 0 C-N-CA 122.683 0.393 . . . . 0.0 111.182 -179.462 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 88' ' ' PRO . . . . . . . . . . . . . 55.7 Cg_endo -63.0 153.84 71.03 Favored 'Trans proline' 0 N--CA 1.451 -1.026 0 C-N-CA 122.429 2.086 . . . . 0.0 109.358 177.715 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 89' ' ' LYS . . . . . 0.431 ' HG3' ' H ' ' A' ' 90' ' ' VAL . 15.3 ptpt -130.64 -102.62 0.29 Allowed 'General case' 0 N--CA 1.451 -0.397 0 CA-C-N 115.973 -0.558 . . . . 0.0 111.473 -172.929 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 90' ' ' VAL . . . . . 0.431 ' H ' ' HG3' ' A' ' 89' ' ' LYS . 5.0 m -135.93 -16.86 0.7 Allowed 'Isoleucine or valine' 0 C--N 1.333 -0.122 0 C-N-CA 123.414 0.685 . . . . 0.0 112.44 -175.59 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 91' ' ' ASN . . . . . . . . . . . . . 21.0 m120 -77.67 -5.21 49.66 Favored 'General case' 0 N--CA 1.454 -0.26 0 N-CA-C 112.356 0.502 . . . . 0.0 112.356 -176.136 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 92' ' ' ARG . . . . . . . . . . . . . 64.8 ttp85 -77.9 87.23 4.1 Favored 'General case' 0 N--CA 1.454 -0.228 0 N-CA-C 109.447 -0.575 . . . . 0.0 109.447 179.152 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . -105.23 -138.99 9.63 Favored Glycine 0 N--CA 1.449 -0.44 0 N-CA-C 109.414 -1.474 . . . . 0.0 109.414 177.039 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 95.1 mttt -140.1 -18.18 0.92 Allowed 'General case' 0 CA--C 1.528 0.117 0 N-CA-C 112.868 0.692 . . . . 0.0 112.868 179.174 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . -157.98 153.98 26.99 Favored 'General case' 0 N--CA 1.453 -0.298 0 CA-C-N 118.178 0.445 . . . . 0.0 110.59 -179.839 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . -83.65 -10.81 80.92 Favored Glycine 0 CA--C 1.526 0.737 0 N-CA-C 111.635 -0.586 . . . . 0.0 111.635 177.258 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 97' ' ' VAL . . . . . 0.463 HG22 ' H ' ' A' ' 99' ' ' ARG . 13.1 p -108.17 140.36 26.93 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.194 0 N-CA-C 108.893 -0.78 . . . . 0.0 108.893 176.35 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 98' ' ' LYS . . . . . . . . . . . . . 71.9 mmtt -110.46 24.81 12.5 Favored 'General case' 0 C--O 1.231 0.083 0 C-N-CA 123.388 0.675 . . . . 0.0 110.777 -176.806 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 99' ' ' ARG . . . . . 0.463 ' H ' HG22 ' A' ' 97' ' ' VAL . 16.6 tpp180 -138.89 170.47 15.93 Favored 'General case' 0 N--CA 1.452 -0.35 0 C-N-CA 124.063 0.945 . . . . 0.0 109.96 -177.017 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 74.5 m -64.89 -14.24 59.06 Favored 'General case' 0 N--CA 1.456 -0.175 0 C-N-CA 123.386 0.674 . . . . 0.0 112.185 178.868 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 101' ' ' ALA . . . . . . . . . . . . . . . 53.12 15.76 0.66 Allowed 'General case' 0 CA--C 1.533 0.326 0 C-N-CA 123.829 0.851 . . . . 0.0 112.596 -175.764 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -148.94 15.68 0.94 Allowed 'General case' 0 CA--C 1.531 0.215 0 C-N-CA 123.564 0.745 . . . . 0.0 110.822 -178.337 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 20.9 pt-20 -69.62 -5.44 24.7 Favored 'General case' 0 CA--C 1.531 0.222 0 N-CA-C 112.531 0.567 . . . . 0.0 112.531 -176.565 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 104' ' ' MET . . . . . . . . . . . . . 73.8 mtm -105.16 7.15 33.62 Favored 'General case' 0 CA--C 1.528 0.107 0 C-N-CA 123.515 0.726 . . . . 0.0 111.17 178.839 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 105' ' ' TYR . . . . . . . . . . . . . 59.1 m-85 -133.73 4.08 3.57 Favored 'General case' 0 CA--C 1.53 0.209 0 C-N-CA 123.196 0.598 . . . . 0.0 111.77 -177.988 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 106' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--N 1.34 0.758 0 N-CA-C 110.494 -1.043 . . . . 0.0 110.494 179.766 . . . . . . . . 0 0 . 1 . 008 nuclear build full ' B' B ' 1' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.421 -2.671 0 O4'-C1'-N19 111.905 3.705 . 0.0 '__' . 0.0 . . . . . . . . . . 0 0 . 1 . 008 nuclear build full ' B' B ' 2' ' ' ' U' . . . . . 0.446 " H4'" " H5'" ' B' ' 3' ' ' ' U' . . . . . . . . 0 O4'--C4' 1.421 -2.666 1 O4'-C1'-N19 112.645 4.445 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 3 3 . 1 . 008 nuclear build full ' B' B ' 3' ' ' ' U' . . . . . 0.446 " H5'" " H4'" ' B' ' 2' ' ' ' U' . . . . . . . . 0 O4'--C4' 1.422 -2.612 0 C5'-C4'-C3' 110.919 -3.054 . 0.26 0b . 0.0 . . . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 4' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.421 -2.665 1 O4'-C1'-N19 112.795 4.595 . 0.146 4b . 0.0 . . . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 5' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.423 -2.47 2 O4'-C1'-N19 115.583 7.383 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.474 0.76 0 CA-C-O 120.361 0.124 . . . . 0.0 110.848 . . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 36.7 t -67.84 160.45 28.33 Favored 'General case' 0 N--CA 1.457 -0.103 0 C-N-CA 123.233 0.613 . . . . 0.0 110.743 179.669 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 4' ' ' ASN . . . . . . . . . . . . . 88.9 m-20 -86.34 -4.39 59.16 Favored 'General case' 0 CA--C 1.53 0.192 0 C-N-CA 122.837 0.455 . . . . 0.0 110.979 178.871 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 84.8 t -88.98 131.09 37.19 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.277 0 CA-C-O 120.681 0.277 . . . . 0.0 111.425 -175.782 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 67.3 p -146.28 10.25 1.12 Allowed 'General case' 0 C--O 1.225 -0.19 0 CA-C-N 115.726 -0.67 . . . . 0.0 111.45 179.355 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 7' ' ' ASN . . . . . . . . . . . . . 61.4 t-20 -115.95 102.55 9.76 Favored 'General case' 0 C--O 1.232 0.154 0 CA-C-N 119.458 1.026 . . . . 0.0 111.127 -178.37 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 55.0 mtmt -145.02 149.4 35.05 Favored 'General case' 0 C--N 1.333 -0.118 0 C-N-CA 124.863 1.265 . . . . 0.0 108.425 175.992 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 69.3 p -117.01 15.81 15.09 Favored 'General case' 0 C--N 1.33 -0.267 0 N-CA-C 112.619 0.6 . . . . 0.0 112.619 -173.965 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 14.2 m-20 -63.57 148.63 93.7 Favored Pre-proline 0 N--CA 1.454 -0.237 0 N-CA-C 109.877 -0.416 . . . . 0.0 109.877 177.498 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 11' ' ' PRO . . . . . . . . . . . . . 64.0 Cg_endo -66.11 -2.38 6.78 Favored 'Trans proline' 0 N--CA 1.455 -0.775 0 C-N-CA 124.45 3.434 . . . . 0.0 113.221 -172.159 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -127.25 -33.07 2.42 Favored 'General case' 0 N--CA 1.461 0.094 0 CA-C-N 118.197 0.453 . . . . 0.0 110.246 178.051 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 22.6 m -72.92 -27.59 61.96 Favored 'General case' 0 N--CA 1.453 -0.317 0 O-C-N 121.901 -0.5 . . . . 0.0 111.173 -178.265 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 14' ' ' MET . . . . . . . . . . . . . 16.1 ptm -86.3 -2.85 58.76 Favored 'General case' 0 CA--C 1.531 0.236 0 CA-C-N 118.326 0.512 . . . . 0.0 111.758 177.993 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 64.8 m-80 -104.74 -17.64 14.55 Favored 'General case' 0 CA--C 1.53 0.202 0 C-N-CA 123.048 0.539 . . . . 0.0 109.835 171.586 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 18.0 m -85.92 2.69 45.07 Favored 'General case' 0 N--CA 1.455 -0.217 0 C-N-CA 123.616 0.766 . . . . 0.0 110.846 171.652 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 30.1 ttp-105 -104.85 151.72 23.48 Favored 'General case' 0 N--CA 1.454 -0.262 0 C-N-CA 123.928 0.891 . . . . 0.0 109.287 178.176 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 82.3 t -126.09 129.96 72.19 Favored 'Isoleucine or valine' 0 N--CA 1.449 -0.498 0 C-N-CA 123.234 0.613 . . . . 0.0 109.608 178.518 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 19.2 t80 -92.46 133.85 35.51 Favored 'General case' 0 N--CA 1.451 -0.39 0 CA-C-N 115.234 -0.894 . . . . 0.0 108.981 175.949 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 58.7 mt -121.52 83.89 0.83 Allowed 'Isoleucine or valine' 0 CA--C 1.52 -0.187 0 N-CA-C 107.865 -1.161 . . . . 0.0 107.865 -178.69 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -85.92 173.47 47.0 Favored Glycine 0 CA--C 1.523 0.582 0 N-CA-C 111.045 -0.822 . . . . 0.0 111.045 178.968 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 6.7 t30 51.16 43.5 29.14 Favored 'General case' 0 CA--C 1.531 0.239 0 C-N-CA 123.115 0.566 . . . . 0.0 110.364 179.894 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 60.0 tp -97.37 146.9 24.72 Favored 'General case' 0 CA--C 1.529 0.172 0 C-N-CA 124.265 1.026 . . . . 0.0 109.416 -179.723 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 64.2 t30 -68.97 -42.77 76.13 Favored 'General case' 0 N--CA 1.455 -0.211 0 O-C-N 122.147 -0.346 . . . . 0.0 110.789 -177.91 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 33.5 p 57.32 -4.08 0.04 OUTLIER 'General case' 0 N--CA 1.465 0.296 0 C-N-CA 126.958 2.103 . . . . 0.0 115.155 179.66 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 68.2 mt -83.43 -22.59 32.61 Favored 'General case' 0 N--CA 1.453 -0.324 0 O-C-N 121.894 -0.504 . . . . 0.0 111.97 174.923 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 62.1 t -121.02 -25.46 2.48 Favored 'Isoleucine or valine' 0 CA--C 1.529 0.139 0 C-N-CA 122.777 0.431 . . . . 0.0 111.747 -177.679 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 59.3 t -99.68 146.34 8.95 Favored 'Isoleucine or valine' 0 N--CA 1.461 0.118 0 CA-C-N 118.218 0.463 . . . . 0.0 110.66 179.948 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 8.2 mptt -135.61 171.45 14.43 Favored 'General case' 0 CA--C 1.521 -0.152 0 C-N-CA 123.536 0.735 . . . . 0.0 109.839 -178.764 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 7.3 ptmm? -65.21 -8.1 15.87 Favored 'General case' 0 C--N 1.332 -0.195 0 C-N-CA 124.27 1.028 . . . . 0.0 112.291 179.755 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 47.7 p -94.3 -13.22 26.69 Favored 'General case' 0 C--N 1.333 -0.124 0 C-N-CA 123.631 0.772 . . . . 0.0 110.498 176.149 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 42.8 m-20 -100.65 -35.06 9.62 Favored 'General case' 0 N--CA 1.452 -0.334 0 C-N-CA 124.491 1.117 . . . . 0.0 110.785 178.314 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 93.2 t -65.3 -31.71 55.06 Favored 'Isoleucine or valine' 0 N--CA 1.456 -0.152 0 N-CA-C 109.235 -0.654 . . . . 0.0 109.235 179.541 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 26.5 pt-20 -80.67 9.28 6.38 Favored 'General case' 0 CA--C 1.531 0.219 0 C-N-CA 122.33 0.252 . . . . 0.0 111.652 178.061 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -127.4 -7.1 5.82 Favored 'General case' 0 CA--C 1.532 0.258 0 C-N-CA 123.474 0.71 . . . . 0.0 111.049 176.143 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 74.4 mt -111.48 -27.76 2.74 Favored 'Isoleucine or valine' 0 C--N 1.34 0.178 0 C-N-CA 123.047 0.539 . . . . 0.0 110.501 178.901 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 37' ' ' PHE . . . . . . . . . . . . . 65.2 m-85 -104.24 -5.62 21.71 Favored 'General case' 0 N--CA 1.454 -0.234 0 C-N-CA 122.76 0.424 . . . . 0.0 110.988 179.513 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 68.5 p -76.68 -14.32 59.97 Favored 'General case' 0 CA--C 1.53 0.178 0 C-N-CA 122.684 0.394 . . . . 0.0 111.611 179.855 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 13.1 ptmm? -82.51 -10.91 58.81 Favored 'General case' 0 CA--C 1.528 0.121 0 C-N-CA 123.078 0.551 . . . . 0.0 112.119 178.813 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 40' ' ' TYR . . . . . . . . . . . . . 83.9 m-85 -106.07 -14.86 15.04 Favored 'General case' 0 C--O 1.233 0.187 0 C-N-CA 122.677 0.391 . . . . 0.0 111.41 177.556 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -176.78 164.27 33.73 Favored Glycine 0 C--N 1.335 0.491 0 N-CA-C 112.303 -0.319 . . . . 0.0 112.303 174.521 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 79.1 tttt -74.65 112.99 11.4 Favored 'General case' 0 N--CA 1.451 -0.386 0 N-CA-C 109.132 -0.692 . . . . 0.0 109.132 177.658 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 43' ' ' ILE . . . . . . . . . . . . . 76.7 mt -83.45 128.62 38.61 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.192 0 N-CA-C 109.66 -0.496 . . . . 0.0 109.66 -178.153 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 34.5 m -107.16 -8.53 10.68 Favored 'Isoleucine or valine' 0 C--O 1.23 0.051 0 C-N-CA 123.368 0.667 . . . . 0.0 110.608 178.883 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . -169.71 147.29 10.77 Favored Glycine 0 CA--C 1.527 0.791 0 N-CA-C 110.383 -1.087 . . . . 0.0 110.383 177.685 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 46' ' ' CYS . . . . . . . . . . . . . 54.1 t -152.3 144.21 23.71 Favored 'General case' 0 N--CA 1.451 -0.42 0 N-CA-C 109.668 -0.493 . . . . 0.0 109.668 178.401 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 32.5 t -151.1 134.54 16.22 Favored 'General case' 0 N--CA 1.451 -0.395 0 N-CA-C 109.615 -0.513 . . . . 0.0 109.615 177.112 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 48' ' ' VAL . . . . . . . . . . . . . 86.9 t -109.84 147.92 13.85 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.19 0 N-CA-C 109.262 -0.644 . . . . 0.0 109.262 178.223 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 49' ' ' HIS . . . . . . . . . . . . . 54.2 m-70 -134.26 -168.34 2.12 Favored 'General case' 0 N--CA 1.451 -0.423 0 N-CA-C 107.973 -1.121 . . . . 0.0 107.973 -177.353 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 98.0 mttt -86.71 118.8 26.35 Favored 'General case' 0 N--CA 1.454 -0.256 0 O-C-N 121.718 -0.613 . . . . 0.0 109.885 177.529 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 80.89 -9.52 52.16 Favored Glycine 0 CA--C 1.531 1.073 0 C-N-CA 123.636 0.636 . . . . 0.0 113.692 178.789 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 51.7 p90 -153.36 169.84 22.13 Favored 'General case' 0 N--CA 1.456 -0.174 0 CA-C-N 118.664 1.232 . . . . 0.0 111.632 179.291 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -147.98 172.21 14.57 Favored 'General case' 0 CA--C 1.531 0.24 0 C-N-CA 123.794 0.838 . . . . 0.0 110.428 177.001 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 54' ' ' PHE . . . . . . . . . . . . . 13.4 m-85 -138.93 147.31 42.13 Favored 'General case' 0 N--CA 1.454 -0.236 0 C-N-CA 123.802 0.841 . . . . 0.0 110.26 179.072 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 94.7 t -137.7 135.51 46.02 Favored 'Isoleucine or valine' 0 CA--C 1.519 -0.226 0 C-N-CA 123.887 0.875 . . . . 0.0 109.214 178.593 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 56' ' ' GLN . . . . . . . . . . . . . 66.9 tp60 -114.57 130.79 56.81 Favored 'General case' 0 N--CA 1.452 -0.37 0 N-CA-C 109.295 -0.632 . . . . 0.0 109.295 -178.666 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 57' ' ' TYR . . . . . . . . . . . . . 45.7 m-85 -111.33 173.66 6.23 Favored 'General case' 0 N--CA 1.455 -0.22 0 C-N-CA 123.385 0.674 . . . . 0.0 110.37 178.392 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 58' ' ' VAL . . . . . . . . . . . . . 62.8 t -70.5 -32.06 48.63 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.19 0 N-CA-C 110.083 -0.34 . . . . 0.0 110.083 178.438 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 59' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -154.98 166.56 33.19 Favored 'General case' 0 CA--C 1.53 0.194 0 CA-C-O 120.962 0.41 . . . . 0.0 112.093 178.86 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 77.0 tt0 -57.83 -29.69 65.14 Favored 'General case' 0 CA--C 1.529 0.172 0 C-N-CA 123.702 0.801 . . . . 0.0 112.641 -178.616 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 35.9 tpt85 -60.12 -37.5 80.23 Favored 'General case' 0 CA--C 1.528 0.123 0 CA-C-N 119.071 0.85 . . . . 0.0 110.075 179.909 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 62' ' ' ASN . . . . . . . . . . . . . 19.0 m120 -74.33 -25.09 59.33 Favored 'General case' 0 N--CA 1.452 -0.369 0 C-N-CA 120.822 -0.351 . . . . 0.0 111.104 178.871 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -76.6 -36.71 57.35 Favored 'General case' 0 N--CA 1.455 -0.224 0 N-CA-C 110.327 -0.249 . . . . 0.0 110.327 178.112 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 64' ' ' ARG . . . . . . . . . . . . . 31.6 mmt180 -69.86 -25.97 63.98 Favored 'General case' 0 N--CA 1.457 -0.078 0 C-N-CA 122.538 0.335 . . . . 0.0 110.374 178.629 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -79.29 -33.65 43.17 Favored 'General case' 0 N--CA 1.453 -0.3 0 O-C-N 122.49 -0.131 . . . . 0.0 111.083 179.225 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -80.29 -35.08 36.31 Favored 'General case' 0 N--CA 1.451 -0.392 0 O-C-N 122.092 -0.38 . . . . 0.0 111.103 179.812 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 67' ' ' VAL . . . . . . . . . . . . . 49.9 t -66.59 -33.56 64.29 Favored 'Isoleucine or valine' 0 N--CA 1.456 -0.156 0 N-CA-C 110.0 -0.37 . . . . 0.0 110.0 176.154 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -90.44 -9.46 47.39 Favored 'General case' 0 N--CA 1.453 -0.307 0 O-C-N 122.212 -0.305 . . . . 0.0 111.795 178.224 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . -105.04 -11.69 29.34 Favored Glycine 0 CA--C 1.531 1.073 0 CA-C-O 119.065 -0.853 . . . . 0.0 113.792 -177.256 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 28.3 mm-40 -135.33 -20.59 1.62 Allowed 'General case' 0 CA--C 1.53 0.185 0 CA-C-N 118.735 1.267 . . . . 0.0 112.554 -174.544 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 22.8 t0 -61.88 116.85 5.2 Favored 'General case' 0 N--CA 1.455 -0.2 0 O-C-N 120.909 -1.119 . . . . 0.0 109.974 178.992 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . 88.33 9.91 69.09 Favored Glycine 0 C--N 1.34 0.794 0 N-CA-C 111.141 -0.783 . . . . 0.0 111.141 179.837 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 73' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -76.29 169.51 18.09 Favored 'General case' 0 N--CA 1.452 -0.353 0 N-CA-C 106.381 -1.711 . . . . 0.0 106.381 172.133 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 74' ' ' MET . . . . . . . . . . . . . 31.5 ttm -114.72 121.03 42.09 Favored 'General case' 0 N--CA 1.45 -0.471 0 N-CA-C 109.245 -0.65 . . . . 0.0 109.245 -177.116 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 75' ' ' ILE . . . . . . . . . . . . . 0.2 OUTLIER -128.29 136.89 58.92 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.239 0 CA-C-N 115.983 -0.553 . . . . 0.0 109.979 179.621 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . 54.27 19.11 2.07 Favored 'General case' 0 CA--C 1.532 0.274 0 C-N-CA 123.097 0.559 . . . . 0.0 111.916 -173.666 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 88.05 5.07 77.45 Favored Glycine 0 CA--C 1.527 0.834 0 CA-C-O 119.835 -0.425 . . . . 0.0 112.099 -179.325 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 78' ' ' GLN . . . . . . . . . . . . . 1.0 OUTLIER -125.97 134.54 51.48 Favored 'General case' 0 CA--C 1.534 0.364 0 CA-C-N 117.841 0.82 . . . . 0.0 110.812 -179.397 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 79' ' ' VAL . . . . . . . . . . . . . 65.6 t -63.22 141.42 18.15 Favored 'Isoleucine or valine' 0 C--O 1.228 -0.069 0 C-N-CA 124.715 1.206 . . . . 0.0 110.884 -178.833 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 29.9 mt -97.5 157.23 16.12 Favored 'General case' 0 C--N 1.333 -0.151 0 CA-C-O 120.709 0.29 . . . . 0.0 111.54 176.064 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 81' ' ' ASP . . . . . . . . . . . . . 31.0 t70 -123.04 103.77 8.8 Favored 'General case' 0 N--CA 1.452 -0.365 0 N-CA-C 107.971 -1.122 . . . . 0.0 107.971 174.474 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 82' ' ' ILE . . . . . . . . . . . . . 64.0 mt -119.85 139.85 45.79 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.181 0 CA-C-N 116.381 -0.372 . . . . 0.0 110.511 -170.007 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 83' ' ' ASN . . . . . . . . . . . . . 1.6 p-10 -161.33 170.45 20.11 Favored 'General case' 0 CA--C 1.527 0.084 0 C-N-CA 123.543 0.737 . . . . 0.0 110.343 179.674 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 84' ' ' LEU . . . . . 0.439 ' H ' HD22 ' A' ' 84' ' ' LEU . 3.2 mm? -61.2 149.62 37.02 Favored 'General case' 0 C--O 1.227 -0.115 0 N-CA-C 108.977 -0.749 . . . . 0.0 108.977 176.025 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . -71.18 4.95 2.4 Favored 'General case' 0 CA--C 1.534 0.333 0 N-CA-C 111.92 0.341 . . . . 0.0 111.92 178.147 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . -138.19 -4.16 1.72 Allowed 'General case' 0 CA--C 1.531 0.237 0 N-CA-C 112.472 0.545 . . . . 0.0 112.472 -178.92 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 80.5 mm-40 -138.18 69.49 48.43 Favored Pre-proline 0 N--CA 1.454 -0.258 0 N-CA-C 109.407 -0.59 . . . . 0.0 109.407 179.74 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 88' ' ' PRO . . . . . . . . . . . . . 56.1 Cg_endo -64.17 143.62 84.48 Favored 'Trans proline' 0 N--CA 1.45 -1.061 0 C-N-CA 123.221 2.614 . . . . 0.0 108.422 176.735 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 2.3 ptpp? -56.76 -55.23 36.91 Favored 'General case' 0 CA--C 1.527 0.081 0 N-CA-C 113.276 0.843 . . . . 0.0 113.276 -169.581 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 90' ' ' VAL . . . . . . . . . . . . . 8.3 p -156.79 -37.41 0.04 OUTLIER 'Isoleucine or valine' 0 N--CA 1.456 -0.155 0 CA-C-N 117.986 0.357 . . . . 0.0 111.532 -178.863 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 91' ' ' ASN . . . . . . . . . . . . . 31.7 m120 -139.71 163.27 33.03 Favored 'General case' 0 N--CA 1.45 -0.45 0 CA-C-N 116.365 -0.379 . . . . 0.0 110.379 177.815 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 92' ' ' ARG . . . . . . . . . . . . . 46.1 ttp85 -98.69 -44.48 6.4 Favored 'General case' 0 N--CA 1.455 -0.221 0 N-CA-C 109.533 -0.543 . . . . 0.0 109.533 174.159 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . 58.11 -158.35 16.23 Favored Glycine 0 CA--C 1.523 0.58 0 C-N-CA 123.57 0.605 . . . . 0.0 113.03 176.634 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 37.5 ttpt -142.57 -29.92 0.56 Allowed 'General case' 0 N--CA 1.452 -0.356 0 C-N-CA 123.371 0.669 . . . . 0.0 111.413 178.263 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . -154.16 143.15 21.13 Favored 'General case' 0 N--CA 1.452 -0.358 0 C-N-CA 122.667 0.387 . . . . 0.0 110.448 179.7 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . -83.19 -12.15 79.58 Favored Glycine 0 CA--C 1.526 0.758 0 N-CA-C 111.79 -0.524 . . . . 0.0 111.79 177.708 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 97' ' ' VAL . . . . . . . . . . . . . 50.0 t -102.3 128.82 54.61 Favored 'Isoleucine or valine' 0 C--N 1.338 0.073 0 N-CA-C 108.767 -0.827 . . . . 0.0 108.767 178.318 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 98' ' ' LYS . . . . . . . . . . . . . 61.1 mttm -129.68 12.99 5.89 Favored 'General case' 0 C--O 1.231 0.11 0 C-N-CA 122.828 0.451 . . . . 0.0 112.044 -174.626 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 99' ' ' ARG . . . . . . . . . . . . . 2.1 mpp_? -117.9 170.94 8.41 Favored 'General case' 0 N--CA 1.457 -0.107 0 C-N-CA 124.847 1.259 . . . . 0.0 109.388 178.435 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 9.1 t -72.03 -12.64 61.32 Favored 'General case' 0 N--CA 1.455 -0.22 0 CA-C-N 116.403 -0.362 . . . . 0.0 110.981 178.909 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 101' ' ' ALA . . . . . . . . . . . . . . . 55.71 9.01 0.37 Allowed 'General case' 0 CA--C 1.534 0.346 0 C-N-CA 124.483 1.113 . . . . 0.0 113.128 -174.911 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -147.87 6.59 0.81 Allowed 'General case' 0 CA--C 1.533 0.311 0 C-N-CA 123.449 0.7 . . . . 0.0 111.367 179.022 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 12.1 pt-20 -74.6 -7.55 53.53 Favored 'General case' 0 CA--C 1.527 0.089 0 O-C-N 122.141 -0.35 . . . . 0.0 111.913 -176.581 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 104' ' ' MET . . . . . . . . . . . . . 3.9 mpp? -91.61 2.16 56.65 Favored 'General case' 0 N--CA 1.453 -0.294 0 C-N-CA 122.978 0.511 . . . . 0.0 110.819 177.034 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 105' ' ' TYR . . . . . . . . . . . . . 31.7 m-85 -133.76 4.51 3.59 Favored 'General case' 0 CA--C 1.532 0.255 0 C-N-CA 123.133 0.573 . . . . 0.0 111.572 -176.282 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 106' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.525 0.664 0 N-CA-C 111.353 -0.699 . . . . 0.0 111.353 -179.82 . . . . . . . . 0 0 . 1 . 009 nuclear build full ' B' B ' 1' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.423 -2.472 1 C5'-C4'-C3' 108.245 -4.836 . 0.0 '__' . 0.0 . . . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 2' ' ' ' U' . . . . . 0.401 " H4'" " H5'" ' B' ' 3' ' ' ' U' . . . . . . . . 0 O4'--C4' 1.421 -2.64 1 O4'-C1'-N19 112.593 4.393 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 3 3 . 1 . 009 nuclear build full ' B' B ' 3' ' ' ' U' . . . . . 0.401 " H5'" " H4'" ' B' ' 2' ' ' ' U' . . . . . . . . 0 O4'--C4' 1.421 -2.683 0 C5'-C4'-C3' 111.659 -2.561 . 0.462 0b . 0.0 . . . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 4' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.423 -2.499 1 O4'-C1'-N19 112.776 4.576 . 0.123 4b . 0.0 . . . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 5' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.42 -2.782 1 O4'-C1'-N19 113.425 5.225 . 0.173 2u . 0.0 . . . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.475 0.779 0 CA-C-O 120.607 0.241 . . . . 0.0 110.736 . . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 45.8 m -71.0 159.67 34.34 Favored 'General case' 0 CA--C 1.528 0.113 0 C-N-CA 123.019 0.528 . . . . 0.0 110.511 178.54 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 4' ' ' ASN . . . . . . . . . . . . . 53.3 p-10 -85.83 6.67 27.07 Favored 'General case' 0 CA--C 1.531 0.217 0 N-CA-C 112.006 0.373 . . . . 0.0 112.006 -179.479 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 94.7 t -96.51 131.61 42.87 Favored 'Isoleucine or valine' 0 N--CA 1.456 -0.163 0 C-N-CA 122.987 0.515 . . . . 0.0 110.745 -177.864 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 40.0 p -146.54 12.01 1.15 Allowed 'General case' 0 CA--C 1.529 0.162 0 C-N-CA 123.315 0.646 . . . . 0.0 111.714 179.325 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 7' ' ' ASN . . . . . . . . . . . . . 62.2 t-20 -118.84 115.1 23.71 Favored 'General case' 0 C--O 1.231 0.121 0 CA-C-N 119.137 0.88 . . . . 0.0 111.764 -177.865 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 67.4 mttm -150.99 164.52 36.2 Favored 'General case' 0 CA--C 1.53 0.176 0 C-N-CA 126.194 1.797 . . . . 0.0 107.611 174.487 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 75.9 p -126.97 17.76 7.25 Favored 'General case' 0 N--CA 1.462 0.152 0 N-CA-C 112.421 0.526 . . . . 0.0 112.421 -179.712 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 16.0 m-20 -70.55 152.58 95.34 Favored Pre-proline 0 CA--C 1.533 0.316 0 N-CA-C 109.957 -0.386 . . . . 0.0 109.957 178.19 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 11' ' ' PRO . . . . . . . . . . . . . 67.7 Cg_endo -67.38 -0.47 5.07 Favored 'Trans proline' 0 N--CA 1.457 -0.66 0 C-N-CA 124.2 3.267 . . . . 0.0 113.471 -174.477 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -128.73 -28.71 2.44 Favored 'General case' 0 C--O 1.227 -0.117 0 CA-C-N 118.499 0.59 . . . . 0.0 110.758 176.43 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 33.5 m -74.63 -27.74 60.57 Favored 'General case' 0 N--CA 1.453 -0.312 0 CA-C-O 119.479 -0.295 . . . . 0.0 111.392 -179.883 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 14' ' ' MET . . . . . . . . . . . . . 11.0 ptm -92.11 -4.53 54.2 Favored 'General case' 0 N--CA 1.455 -0.187 0 CA-C-N 118.537 0.608 . . . . 0.0 112.442 178.821 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 72.5 m-80 -104.58 -19.57 13.95 Favored 'General case' 0 N--CA 1.454 -0.235 0 C-N-CA 122.423 0.289 . . . . 0.0 110.906 177.025 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 14.9 m -85.86 15.35 4.95 Favored 'General case' 0 CA--C 1.529 0.168 0 C-N-CA 123.17 0.588 . . . . 0.0 110.64 170.722 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 35.5 ttm180 -111.96 155.82 23.11 Favored 'General case' 0 N--CA 1.456 -0.146 0 C-N-CA 124.472 1.109 . . . . 0.0 110.163 -176.164 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 75.0 t -131.59 133.13 62.02 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.214 0 N-CA-C 109.949 -0.389 . . . . 0.0 109.949 177.155 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 35.6 t80 -94.12 135.63 35.28 Favored 'General case' 0 N--CA 1.45 -0.443 0 N-CA-C 108.949 -0.76 . . . . 0.0 108.949 175.443 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 59.3 mt -122.45 82.44 0.76 Allowed 'Isoleucine or valine' 0 N--CA 1.457 -0.1 0 N-CA-C 107.897 -1.149 . . . . 0.0 107.897 -179.376 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -84.48 175.18 50.83 Favored Glycine 0 CA--C 1.521 0.436 0 N-CA-C 110.759 -0.936 . . . . 0.0 110.759 178.796 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 61.3 t30 48.62 46.37 21.2 Favored 'General case' 0 CA--C 1.531 0.221 0 C-N-CA 122.708 0.403 . . . . 0.0 110.771 -178.057 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 59.4 tp -98.79 144.77 27.65 Favored 'General case' 0 N--CA 1.454 -0.236 0 C-N-CA 123.114 0.566 . . . . 0.0 109.627 179.244 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 63.8 t30 -67.91 -39.15 83.6 Favored 'General case' 0 CA--C 1.528 0.13 0 C-N-CA 120.964 -0.294 . . . . 0.0 111.075 -178.112 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 35.8 p 54.14 4.86 0.06 Allowed 'General case' 0 N--CA 1.467 0.385 0 C-N-CA 126.19 1.796 . . . . 0.0 115.287 179.527 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 7.3 mp -98.87 -15.05 19.34 Favored 'General case' 0 CA--C 1.53 0.209 0 C-N-CA 123.353 0.661 . . . . 0.0 111.383 177.256 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 62.5 t -126.33 -23.71 1.79 Allowed 'Isoleucine or valine' 0 CA--C 1.528 0.11 0 C-N-CA 122.526 0.331 . . . . 0.0 110.587 179.443 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 49.7 t -102.96 145.65 11.98 Favored 'Isoleucine or valine' 0 N--CA 1.462 0.136 0 N-CA-C 110.084 -0.339 . . . . 0.0 110.084 178.515 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 8.0 mptt -135.49 172.26 13.27 Favored 'General case' 0 N--CA 1.457 -0.095 0 C-N-CA 123.304 0.642 . . . . 0.0 110.143 -178.308 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 9.5 ptmt -67.27 -4.52 10.88 Favored 'General case' 0 CA--C 1.528 0.111 0 C-N-CA 123.584 0.754 . . . . 0.0 112.125 178.159 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 32.2 m -98.76 0.61 44.81 Favored 'General case' 0 CA--C 1.531 0.216 0 C-N-CA 123.377 0.671 . . . . 0.0 110.749 173.979 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 20.0 m-20 -117.06 -32.86 4.9 Favored 'General case' 0 N--CA 1.452 -0.365 0 C-N-CA 123.897 0.879 . . . . 0.0 110.925 179.906 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 77.5 t -62.59 -31.94 53.73 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.175 0 N-CA-C 109.375 -0.602 . . . . 0.0 109.375 177.511 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 24.1 pt-20 -77.76 5.43 9.45 Favored 'General case' 0 CA--C 1.531 0.249 0 N-CA-C 112.179 0.437 . . . . 0.0 112.179 178.635 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -125.19 -8.29 7.07 Favored 'General case' 0 N--CA 1.455 -0.201 0 C-N-CA 122.815 0.446 . . . . 0.0 111.183 177.223 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 81.1 mt -108.75 -27.64 2.9 Favored 'Isoleucine or valine' 0 CA--C 1.527 0.085 0 C-N-CA 123.276 0.63 . . . . 0.0 110.942 179.756 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 37' ' ' PHE . . . . . . . . . . . . . 62.6 m-85 -104.12 -9.69 18.54 Favored 'General case' 0 N--CA 1.453 -0.312 0 C-N-CA 122.535 0.334 . . . . 0.0 110.841 179.915 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 23.3 t -75.13 -8.17 55.82 Favored 'General case' 0 CA--C 1.528 0.134 0 O-C-N 121.995 -0.44 . . . . 0.0 111.119 -178.63 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 13.1 ptmm? -85.07 -11.29 55.62 Favored 'General case' 0 CA--C 1.528 0.103 0 C-N-CA 122.779 0.432 . . . . 0.0 112.011 178.25 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 40' ' ' TYR . . . . . . . . . . . . . 67.9 m-85 -105.83 -15.5 14.92 Favored 'General case' 0 C--N 1.34 0.162 0 C-N-CA 122.518 0.327 . . . . 0.0 111.46 178.495 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -176.33 162.61 31.44 Favored Glycine 0 C--N 1.333 0.413 0 N-CA-C 111.317 -0.713 . . . . 0.0 111.317 174.737 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 56.0 tttp -72.99 114.95 11.71 Favored 'General case' 0 N--CA 1.451 -0.42 0 N-CA-C 108.644 -0.872 . . . . 0.0 108.644 178.225 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 43' ' ' ILE . . . . . . . . . . . . . 70.2 mt -82.55 130.37 35.88 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.301 0 N-CA-C 109.765 -0.457 . . . . 0.0 109.765 -179.001 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 32.5 m -108.96 -5.66 10.89 Favored 'Isoleucine or valine' 0 N--CA 1.458 -0.072 0 C-N-CA 123.201 0.6 . . . . 0.0 110.653 178.823 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . -171.09 145.66 9.07 Favored Glycine 0 CA--C 1.524 0.654 0 N-CA-C 109.824 -1.31 . . . . 0.0 109.824 177.466 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 46' ' ' CYS . . . . . . . . . . . . . 24.9 p -148.63 152.88 37.5 Favored 'General case' 0 N--CA 1.452 -0.353 0 CA-C-N 116.976 0.388 . . . . 0.0 110.057 -179.55 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 20.2 t -159.85 151.89 20.55 Favored 'General case' 0 N--CA 1.452 -0.329 0 CA-C-O 120.692 0.282 . . . . 0.0 110.417 176.218 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 48' ' ' VAL . . . . . . . . . . . . . 94.5 t -128.6 146.32 34.18 Favored 'Isoleucine or valine' 0 CA--C 1.522 -0.128 0 C-N-CA 123.4 0.68 . . . . 0.0 109.203 176.205 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 49' ' ' HIS . . . . . . . . . . . . . 53.0 m-70 -134.31 -163.98 1.44 Allowed 'General case' 0 N--CA 1.449 -0.489 0 C-N-CA 124.399 1.08 . . . . 0.0 108.13 -176.295 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 65.5 mttp -90.7 116.95 28.96 Favored 'General case' 0 N--CA 1.454 -0.261 0 N-CA-C 109.631 -0.507 . . . . 0.0 109.631 177.139 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 81.27 -9.32 54.99 Favored Glycine 0 CA--C 1.531 1.033 0 CA-C-O 119.292 -0.727 . . . . 0.0 113.531 178.548 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 46.4 p90 -150.53 170.16 19.79 Favored 'General case' 0 CA--C 1.528 0.115 0 CA-C-N 118.783 1.291 . . . . 0.0 111.661 178.149 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -148.01 172.86 13.56 Favored 'General case' 0 N--CA 1.453 -0.276 0 C-N-CA 123.95 0.9 . . . . 0.0 110.12 175.324 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 54' ' ' PHE . . . . . . . . . . . . . 13.6 m-85 -140.1 149.3 42.91 Favored 'General case' 0 N--CA 1.454 -0.237 0 C-N-CA 123.539 0.736 . . . . 0.0 110.909 -179.319 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 90.0 t -137.67 146.92 26.73 Favored 'Isoleucine or valine' 0 CA--C 1.519 -0.248 0 C-N-CA 124.084 0.954 . . . . 0.0 109.092 177.448 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 56' ' ' GLN . . . . . . . . . . . . . 68.3 tp60 -126.77 133.67 50.78 Favored 'General case' 0 N--CA 1.447 -0.62 0 N-CA-C 109.241 -0.651 . . . . 0.0 109.241 179.989 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 57' ' ' TYR . . . . . . . . . . . . . 52.4 m-85 -115.94 175.02 5.73 Favored 'General case' 0 N--CA 1.454 -0.269 0 C-N-CA 123.43 0.692 . . . . 0.0 110.62 -179.506 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 58' ' ' VAL . . . . . . . . . . . . . 74.9 t -69.39 -31.62 50.13 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.217 0 CA-C-N 116.236 -0.438 . . . . 0.0 109.933 177.82 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 59' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -155.61 166.97 31.91 Favored 'General case' 0 N--CA 1.452 -0.359 0 N-CA-C 112.167 0.432 . . . . 0.0 112.167 178.519 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 86.0 tt0 -57.47 -30.67 65.24 Favored 'General case' 0 CA--C 1.53 0.179 0 C-N-CA 123.905 0.882 . . . . 0.0 112.703 -179.216 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 26.8 tpt180 -59.2 -39.29 82.15 Favored 'General case' 0 N--CA 1.461 0.094 0 CA-C-N 119.307 0.958 . . . . 0.0 109.666 179.556 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 62' ' ' ASN . . . . . . . . . . . . . 19.7 m120 -71.48 -24.43 61.99 Favored 'General case' 0 N--CA 1.45 -0.429 0 C-N-CA 120.599 -0.441 . . . . 0.0 111.025 -179.747 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -75.07 -38.49 61.28 Favored 'General case' 0 N--CA 1.454 -0.255 0 N-CA-C 110.191 -0.3 . . . . 0.0 110.191 177.55 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 64' ' ' ARG . . . . . . . . . . . . . 36.1 mmt180 -69.19 -25.0 64.12 Favored 'General case' 0 CA--C 1.528 0.133 0 N-CA-C 110.397 -0.223 . . . . 0.0 110.397 179.25 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -80.67 -32.88 35.89 Favored 'General case' 0 N--CA 1.454 -0.262 0 O-C-N 122.519 -0.113 . . . . 0.0 110.933 -179.548 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -81.72 -34.37 30.58 Favored 'General case' 0 N--CA 1.453 -0.31 0 O-C-N 122.164 -0.335 . . . . 0.0 111.022 179.089 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 67' ' ' VAL . . . . . . . . . . . . . 45.6 t -64.87 -34.84 73.05 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.203 0 N-CA-C 109.96 -0.385 . . . . 0.0 109.96 175.05 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -90.41 -10.02 45.4 Favored 'General case' 0 CA--C 1.532 0.277 0 N-CA-C 111.867 0.321 . . . . 0.0 111.867 178.794 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . -101.71 -14.3 29.93 Favored Glycine 0 CA--C 1.53 1.019 0 CA-C-O 119.181 -0.788 . . . . 0.0 113.814 -177.418 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 41.8 mm-40 -133.62 -19.85 2.08 Favored 'General case' 0 C--N 1.34 0.185 0 CA-C-N 118.721 1.261 . . . . 0.0 112.603 -173.467 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 21.5 t0 -61.96 116.69 5.1 Favored 'General case' 0 N--CA 1.456 -0.173 0 O-C-N 121.381 -0.825 . . . . 0.0 110.011 179.052 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . 89.32 9.7 66.78 Favored Glycine 0 C--N 1.338 0.66 0 N-CA-C 111.252 -0.739 . . . . 0.0 111.252 -179.92 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 73' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -75.91 168.97 19.05 Favored 'General case' 0 N--CA 1.452 -0.356 0 N-CA-C 106.493 -1.669 . . . . 0.0 106.493 171.976 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 74' ' ' MET . . . . . . . . . . . . . 34.7 ttm -114.78 122.85 47.64 Favored 'General case' 0 N--CA 1.448 -0.536 0 N-CA-C 109.227 -0.657 . . . . 0.0 109.227 -176.93 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 75' ' ' ILE . . . . . . . . . . . . . 0.2 OUTLIER -130.44 135.95 59.5 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.393 0 N-CA-C 109.368 -0.604 . . . . 0.0 109.368 179.839 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . 54.8 17.33 1.72 Allowed 'General case' 0 CA--C 1.533 0.308 0 C-N-CA 122.977 0.511 . . . . 0.0 112.296 -174.595 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 89.54 4.9 72.72 Favored Glycine 0 CA--C 1.527 0.789 0 CA-C-O 119.644 -0.531 . . . . 0.0 111.962 -179.388 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 78' ' ' GLN . . . . . . . . . . . . . 1.0 OUTLIER -124.92 131.37 53.44 Favored 'General case' 0 N--CA 1.451 -0.38 0 CA-C-N 117.883 0.842 . . . . 0.0 110.255 -179.38 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 79' ' ' VAL . . . . . . . . . . . . . 47.5 t -63.12 139.81 20.65 Favored 'Isoleucine or valine' 0 CA--C 1.523 -0.086 0 C-N-CA 124.296 1.038 . . . . 0.0 110.144 -179.212 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 31.2 mt -93.62 156.72 16.55 Favored 'General case' 0 C--O 1.232 0.153 0 CA-C-O 120.691 0.282 . . . . 0.0 110.836 177.17 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 81' ' ' ASP . . . . . . . . . . . . . 33.4 t70 -123.6 102.55 7.92 Favored 'General case' 0 N--CA 1.451 -0.376 0 N-CA-C 108.221 -1.029 . . . . 0.0 108.221 174.338 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 82' ' ' ILE . . . . . . . . . . . . . 61.0 mt -117.48 138.75 47.14 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.285 0 C-N-CA 123.255 0.622 . . . . 0.0 110.397 -169.917 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 83' ' ' ASN . . . . . . . . . . . . . 2.1 p-10 -156.85 164.83 37.63 Favored 'General case' 0 N--CA 1.455 -0.219 0 CA-C-O 121.135 0.493 . . . . 0.0 111.192 179.273 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 84' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -58.99 132.05 52.87 Favored 'General case' 0 N--CA 1.452 -0.334 0 N-CA-C 108.425 -0.954 . . . . 0.0 108.425 174.924 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . -62.99 1.68 0.4 Allowed 'General case' 0 CA--C 1.532 0.288 0 N-CA-C 114.264 1.209 . . . . 0.0 114.264 -175.002 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . -130.19 4.5 4.81 Favored 'General case' 0 CA--C 1.532 0.253 0 CA-C-N 118.491 0.587 . . . . 0.0 111.623 179.299 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 61.3 mt-10 -141.18 67.85 26.74 Favored Pre-proline 0 C--O 1.233 0.188 0 C-N-CA 123.197 0.599 . . . . 0.0 109.843 179.199 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 88' ' ' PRO . . . . . . . . . . . . . 43.1 Cg_endo -62.62 149.86 89.7 Favored 'Trans proline' 0 N--CA 1.452 -0.913 0 C-N-CA 123.352 2.701 . . . . 0.0 109.652 176.223 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 89' ' ' LYS . . . . . 0.477 ' HG3' ' H ' ' A' ' 90' ' ' VAL . 15.5 ptpt -82.57 -100.74 0.04 OUTLIER 'General case' 0 N--CA 1.454 -0.254 0 CA-C-N 115.525 -0.761 . . . . 0.0 111.158 -174.544 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 90' ' ' VAL . . . . . 0.477 ' H ' ' HG3' ' A' ' 89' ' ' LYS . 79.5 t -144.77 -32.84 0.13 Allowed 'Isoleucine or valine' 0 C--N 1.333 -0.139 0 C-N-CA 123.298 0.639 . . . . 0.0 111.353 -174.354 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 91' ' ' ASN . . . . . . . . . . . . . 45.0 m-80 -94.46 8.98 40.2 Favored 'General case' 0 CA--C 1.532 0.257 0 N-CA-C 112.638 0.607 . . . . 0.0 112.638 -175.343 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 92' ' ' ARG . . . . . . . . . . . . . 5.3 tmm_? -72.04 83.43 0.97 Allowed 'General case' 0 C--N 1.34 0.178 0 N-CA-C 108.523 -0.917 . . . . 0.0 108.523 177.409 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . -173.17 45.38 0.16 Allowed Glycine 0 CA--C 1.522 0.53 0 C-N-CA 121.205 -0.522 . . . . 0.0 113.789 -177.929 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 94' ' ' LYS . . . . . 0.516 ' H ' " H2'" ' B' ' 1' ' ' ' U' . 87.6 mttt 60.9 -3.34 0.16 Allowed 'General case' 0 N--CA 1.463 0.208 0 N-CA-C 114.772 1.397 . . . . 0.0 114.772 176.94 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . -157.11 161.7 39.41 Favored 'General case' 0 N--CA 1.453 -0.312 0 CA-C-N 118.199 0.454 . . . . 0.0 110.927 -177.958 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . 164.02 -16.02 0.11 Allowed Glycine 0 C--N 1.336 0.549 0 CA-C-N 116.347 -0.388 . . . . 0.0 112.272 178.432 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 97' ' ' VAL . . . . . . . . . . . . . 9.9 p -136.09 137.65 48.3 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.334 0 N-CA-C 109.323 -0.621 . . . . 0.0 109.323 174.724 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 98' ' ' LYS . . . . . . . . . . . . . 35.8 mmtp -120.07 14.32 12.27 Favored 'General case' 0 CA--C 1.529 0.154 0 C-N-CA 123.209 0.603 . . . . 0.0 111.955 -177.934 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 99' ' ' ARG . . . . . . . . . . . . . 39.1 ptt180 -141.6 169.57 17.35 Favored 'General case' 0 N--CA 1.454 -0.263 0 C-N-CA 123.66 0.784 . . . . 0.0 110.66 -178.865 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 57.9 m -70.33 -12.42 61.57 Favored 'General case' 0 N--CA 1.456 -0.15 0 C-N-CA 122.579 0.351 . . . . 0.0 111.497 178.249 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 101' ' ' ALA . . . . . . . . . . . . . . . 52.7 12.0 0.23 Allowed 'General case' 0 CA--C 1.533 0.307 0 C-N-CA 124.683 1.193 . . . . 0.0 113.08 -175.66 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -146.92 8.42 0.96 Allowed 'General case' 0 CA--C 1.533 0.289 0 C-N-CA 123.679 0.792 . . . . 0.0 111.195 -179.151 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 12.0 pt-20 -78.17 -1.92 35.07 Favored 'General case' 0 CA--C 1.53 0.199 0 C-N-CA 123.234 0.614 . . . . 0.0 112.229 -177.228 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 104' ' ' MET . . . . . . . . . . . . . 24.7 ptp -125.81 8.49 7.51 Favored 'General case' 0 N--CA 1.453 -0.307 0 C-N-CA 123.372 0.669 . . . . 0.0 112.267 -178.65 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 105' ' ' TYR . . . . . . . . . . . . . 35.6 m-85 -126.06 -7.03 6.59 Favored 'General case' 0 CA--C 1.53 0.193 0 C-N-CA 122.961 0.504 . . . . 0.0 111.095 178.94 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 106' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.526 0.721 0 N-CA-C 111.267 -0.733 . . . . 0.0 111.267 179.716 . . . . . . . . 0 0 . 1 . 010 nuclear build full ' B' B ' 1' ' ' ' U' . . . . . 0.516 " H2'" ' H ' ' A' ' 94' ' ' LYS . . . . . . . . 0 O4'--C4' 1.423 -2.5 1 O4'-C1'-N19 112.775 4.575 . 0.0 '__' . 0.0 . . . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 2' ' ' ' U' . . . . . 0.424 " H4'" " H5'" ' B' ' 3' ' ' ' U' . . . . . . . . 0 O4'--C4' 1.422 -2.623 0 O4'-C1'-N19 111.786 3.586 . 0.199 4b . 0.0 . . . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 3' ' ' ' U' . . . . . 0.424 " H5'" " H4'" ' B' ' 2' ' ' ' U' . . . . . . . . 0 O4'--C4' 1.421 -2.68 0 C5'-C4'-C3' 111.441 -2.706 . 0.479 0b . 0.0 . . . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 4' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.42 -2.725 0 O4'-C1'-N19 112.132 3.932 . 0.062 4b . 0.0 . . . . . . . . . . 0 0 . 1 . 010 nuclear build full ' B' B ' 5' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.415 -3.148 1 O4'-C1'-N19 112.575 4.375 . 0.548 2h . 0.0 . . . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.475 0.811 0 CA-C-O 120.565 0.222 . . . . 0.0 110.91 . . . . . . . . . 0 0 . 1 . 011 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 38.4 t -66.73 159.51 27.71 Favored 'General case' 0 N--CA 1.462 0.128 0 C-N-CA 122.614 0.366 . . . . 0.0 110.652 179.099 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 4' ' ' ASN . . . . . . . . . . . . . 3.0 p-10 -89.6 2.1 55.12 Favored 'General case' 0 CA--C 1.53 0.207 0 C-N-CA 123.104 0.562 . . . . 0.0 111.112 179.259 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 99.2 t -97.22 136.46 27.92 Favored 'Isoleucine or valine' 0 C--O 1.232 0.144 0 C-N-CA 123.101 0.561 . . . . 0.0 111.136 -176.933 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 46.2 p -146.35 3.43 0.89 Allowed 'General case' 0 C--O 1.227 -0.112 0 C-N-CA 123.497 0.719 . . . . 0.0 112.028 -179.744 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 7' ' ' ASN . . . . . . . . . . . . . 62.4 t-20 -100.43 108.34 20.31 Favored 'General case' 0 N--CA 1.455 -0.197 0 CA-C-N 119.251 0.932 . . . . 0.0 110.514 -178.33 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 68.8 mttm -145.17 156.47 43.89 Favored 'General case' 0 N--CA 1.461 0.092 0 C-N-CA 124.718 1.207 . . . . 0.0 108.998 179.452 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 64.7 p -133.02 18.57 4.11 Favored 'General case' 0 C--N 1.333 -0.15 0 N-CA-C 112.352 0.501 . . . . 0.0 112.352 -176.307 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 9.6 m-20 -78.16 159.42 75.54 Favored Pre-proline 0 N--CA 1.456 -0.17 0 O-C-N 122.165 -0.334 . . . . 0.0 111.061 -179.891 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 11' ' ' PRO . . . . . . . . . . . . . 49.3 Cg_exo -58.95 -9.11 7.09 Favored 'Trans proline' 0 N--CA 1.457 -0.656 0 C-N-CA 124.442 3.428 . . . . 0.0 114.442 -173.983 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 95.6 mtt180 -128.69 -36.92 1.8 Allowed 'General case' 0 CA--C 1.519 -0.24 0 C-N-CA 122.883 0.473 . . . . 0.0 110.585 176.359 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 19.5 m -67.17 -13.18 61.71 Favored 'General case' 0 N--CA 1.455 -0.221 0 CA-C-O 119.141 -0.456 . . . . 0.0 112.122 -176.806 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 14' ' ' MET . . . . . . . . . . . . . 9.6 ptm -108.44 0.76 21.23 Favored 'General case' 0 CA--C 1.531 0.247 0 CA-C-N 118.873 0.761 . . . . 0.0 112.567 174.509 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 72.6 m-80 -109.71 -21.42 12.41 Favored 'General case' 0 CA--C 1.528 0.11 0 C-N-CA 123.004 0.522 . . . . 0.0 110.034 176.153 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 93.6 p -83.67 -1.75 54.69 Favored 'General case' 0 N--CA 1.456 -0.171 0 C-N-CA 123.331 0.652 . . . . 0.0 110.469 170.955 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 30.6 ttp-105 -93.12 150.07 20.78 Favored 'General case' 0 N--CA 1.452 -0.353 0 N-CA-C 109.623 -0.51 . . . . 0.0 109.623 176.315 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 94.5 t -125.82 128.84 72.41 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.435 0 C-N-CA 123.117 0.567 . . . . 0.0 109.567 178.228 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 27.8 t80 -89.03 133.74 34.23 Favored 'General case' 0 N--CA 1.449 -0.49 0 CA-C-N 115.174 -0.921 . . . . 0.0 108.985 175.76 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 63.0 mt -121.09 84.42 0.85 Allowed 'Isoleucine or valine' 0 N--CA 1.454 -0.227 0 N-CA-C 107.823 -1.177 . . . . 0.0 107.823 -179.335 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -83.99 173.76 50.72 Favored Glycine 0 CA--C 1.523 0.555 0 N-CA-C 110.912 -0.875 . . . . 0.0 110.912 178.497 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 58.3 t30 48.73 47.91 20.53 Favored 'General case' 0 CA--C 1.532 0.268 0 C-N-CA 123.433 0.693 . . . . 0.0 110.693 -178.571 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 57.3 tp -99.03 144.85 27.71 Favored 'General case' 0 CA--C 1.531 0.24 0 N-CA-C 109.285 -0.635 . . . . 0.0 109.285 179.842 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 63.6 t30 -68.71 -37.51 79.56 Favored 'General case' 0 CA--C 1.53 0.204 0 O-C-N 122.104 -0.373 . . . . 0.0 111.166 -177.315 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 48.7 p 51.44 8.12 0.05 OUTLIER 'General case' 0 N--CA 1.465 0.29 0 C-N-CA 126.415 1.886 . . . . 0.0 115.237 179.326 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 6.7 mp -101.4 -14.95 17.36 Favored 'General case' 0 CA--C 1.53 0.206 0 C-N-CA 123.439 0.696 . . . . 0.0 111.288 176.668 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 61.8 t -126.78 -23.65 1.71 Allowed 'Isoleucine or valine' 0 C--O 1.231 0.079 0 C-N-CA 122.833 0.453 . . . . 0.0 110.571 179.423 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 61.0 t -103.4 146.06 11.64 Favored 'Isoleucine or valine' 0 N--CA 1.462 0.175 0 N-CA-C 110.146 -0.316 . . . . 0.0 110.146 178.976 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 8.1 mptt -135.28 171.62 14.17 Favored 'General case' 0 C--N 1.338 0.098 0 C-N-CA 123.449 0.7 . . . . 0.0 110.297 -178.678 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 10.5 ptmt -67.07 -4.39 9.83 Favored 'General case' 0 CA--C 1.528 0.113 0 C-N-CA 123.926 0.891 . . . . 0.0 112.255 -179.95 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 60.3 p -97.21 -11.95 23.6 Favored 'General case' 0 CA--C 1.528 0.118 0 C-N-CA 123.728 0.811 . . . . 0.0 111.081 174.616 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 42.9 m-20 -103.1 -34.41 8.88 Favored 'General case' 0 N--CA 1.453 -0.294 0 C-N-CA 124.298 1.039 . . . . 0.0 111.227 179.7 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 90.5 t -65.38 -31.27 53.13 Favored 'Isoleucine or valine' 0 N--CA 1.456 -0.161 0 N-CA-C 109.325 -0.62 . . . . 0.0 109.325 -179.926 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 25.2 pt-20 -78.54 7.32 6.91 Favored 'General case' 0 CA--C 1.531 0.212 0 N-CA-C 111.89 0.33 . . . . 0.0 111.89 177.656 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -126.34 -7.33 6.42 Favored 'General case' 0 N--CA 1.454 -0.234 0 C-N-CA 123.045 0.538 . . . . 0.0 110.963 176.565 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 76.8 mt -108.58 -26.31 3.3 Favored 'Isoleucine or valine' 0 C--N 1.339 0.128 0 C-N-CA 123.221 0.608 . . . . 0.0 110.793 178.406 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 37' ' ' PHE . . . . . . . . . . . . . 60.9 m-85 -104.86 -8.4 18.72 Favored 'General case' 0 N--CA 1.454 -0.256 0 C-N-CA 122.449 0.299 . . . . 0.0 110.726 -179.858 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 73.4 p -72.57 -14.06 61.54 Favored 'General case' 0 CA--C 1.527 0.063 0 C-N-CA 122.562 0.345 . . . . 0.0 111.298 -179.025 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 13.4 ptmm? -80.94 -11.71 59.52 Favored 'General case' 0 CA--C 1.531 0.238 0 C-N-CA 123.567 0.747 . . . . 0.0 112.343 179.253 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 40' ' ' TYR . . . . . . . . . . . . . 65.9 m-85 -107.22 -16.05 14.5 Favored 'General case' 0 C--N 1.338 0.106 0 C-N-CA 122.172 0.189 . . . . 0.0 111.33 178.721 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -174.9 160.89 30.14 Favored Glycine 0 C--N 1.336 0.53 0 N-CA-C 111.966 -0.454 . . . . 0.0 111.966 175.45 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 77.1 tttt -71.44 115.12 10.24 Favored 'General case' 0 N--CA 1.45 -0.452 0 N-CA-C 108.804 -0.813 . . . . 0.0 108.804 177.612 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 43' ' ' ILE . . . . . . . . . . . . . 76.1 mt -84.56 126.71 40.25 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.344 0 N-CA-C 109.856 -0.424 . . . . 0.0 109.856 -178.616 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 33.9 m -104.05 -7.08 9.54 Favored 'Isoleucine or valine' 0 N--CA 1.458 -0.054 0 C-N-CA 123.191 0.596 . . . . 0.0 110.9 178.701 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . -172.92 147.5 9.77 Favored Glycine 0 C--N 1.335 0.514 0 N-CA-C 110.191 -1.164 . . . . 0.0 110.191 177.422 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 46' ' ' CYS . . . . . . . . . . . . . 51.7 t -151.9 146.26 25.51 Favored 'General case' 0 N--CA 1.45 -0.438 0 O-C-N 122.418 -0.46 . . . . 0.0 110.108 -179.64 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 22.7 t -153.5 149.35 27.62 Favored 'General case' 0 N--CA 1.451 -0.392 0 N-CA-C 109.806 -0.442 . . . . 0.0 109.806 176.39 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 48' ' ' VAL . . . . . . . . . . . . . 91.6 t -124.21 146.66 29.35 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.26 0 N-CA-C 109.006 -0.738 . . . . 0.0 109.006 178.119 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 49' ' ' HIS . . . . . . . . . . . . . 50.8 m-70 -131.77 -166.2 1.69 Allowed 'General case' 0 N--CA 1.452 -0.373 0 N-CA-C 108.014 -1.106 . . . . 0.0 108.014 -176.383 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 65.4 mttp -88.64 118.17 28.12 Favored 'General case' 0 N--CA 1.455 -0.224 0 N-CA-C 109.661 -0.496 . . . . 0.0 109.661 176.433 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 80.79 -7.8 57.83 Favored Glycine 0 CA--C 1.528 0.897 0 CA-C-O 119.094 -0.837 . . . . 0.0 113.9 178.283 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 52.0 p90 -154.15 170.22 21.7 Favored 'General case' 0 CA--C 1.531 0.231 0 CA-C-N 118.925 1.363 . . . . 0.0 111.375 179.076 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -149.13 172.58 14.56 Favored 'General case' 0 N--CA 1.453 -0.276 0 C-N-CA 123.556 0.743 . . . . 0.0 110.37 177.474 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 54' ' ' PHE . . . . . . . . . . . . . 11.5 m-85 -140.06 145.3 37.51 Favored 'General case' 0 N--CA 1.455 -0.211 0 C-N-CA 123.529 0.731 . . . . 0.0 110.456 179.617 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 96.2 t -136.43 138.23 46.99 Favored 'Isoleucine or valine' 0 CA--C 1.519 -0.237 0 C-N-CA 123.759 0.823 . . . . 0.0 108.787 178.622 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 56' ' ' GLN . . . . . . . . . . . . . 58.3 tp60 -117.79 130.51 56.33 Favored 'General case' 0 N--CA 1.453 -0.283 0 N-CA-C 109.576 -0.527 . . . . 0.0 109.576 -176.747 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 57' ' ' TYR . . . . . . . . . . . . . 42.8 m-85 -111.75 178.4 4.33 Favored 'General case' 0 N--CA 1.457 -0.123 0 C-N-CA 123.196 0.598 . . . . 0.0 110.687 178.855 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 58' ' ' VAL . . . . . . . . . . . . . 73.3 t -74.8 -31.51 26.33 Favored 'Isoleucine or valine' 0 N--CA 1.456 -0.149 0 CA-C-N 116.479 -0.328 . . . . 0.0 110.643 178.537 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 59' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -154.82 170.59 21.3 Favored 'General case' 0 CA--C 1.53 0.203 0 N-CA-C 112.411 0.523 . . . . 0.0 112.411 178.528 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 71.0 tt0 -60.9 -29.68 69.73 Favored 'General case' 0 CA--C 1.529 0.167 0 C-N-CA 123.021 0.528 . . . . 0.0 111.975 -177.366 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 20.3 tpp85 -60.17 -38.14 82.32 Favored 'General case' 0 C--N 1.339 0.14 0 CA-C-N 118.868 0.758 . . . . 0.0 110.082 -179.873 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 62' ' ' ASN . . . . . . . . . . . . . 19.5 m120 -71.41 -25.81 62.5 Favored 'General case' 0 N--CA 1.45 -0.45 0 O-C-N 122.11 -0.369 . . . . 0.0 110.789 179.113 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -76.28 -36.41 58.42 Favored 'General case' 0 N--CA 1.45 -0.431 0 N-CA-C 110.127 -0.323 . . . . 0.0 110.127 178.521 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 64' ' ' ARG . . . . . . . . . . . . . 28.5 mmt180 -66.86 -28.75 68.59 Favored 'General case' 0 C--O 1.227 -0.088 0 N-CA-C 110.253 -0.277 . . . . 0.0 110.253 177.838 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -78.37 -33.24 49.05 Favored 'General case' 0 N--CA 1.453 -0.278 0 O-C-N 122.525 -0.11 . . . . 0.0 110.899 -178.818 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -83.41 -34.94 25.39 Favored 'General case' 0 N--CA 1.454 -0.226 0 O-C-N 122.226 -0.296 . . . . 0.0 111.635 179.908 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 67' ' ' VAL . . . . . . . . . . . . . 53.0 t -65.25 -32.51 58.58 Favored 'Isoleucine or valine' 0 C--O 1.227 -0.105 0 N-CA-C 109.774 -0.454 . . . . 0.0 109.774 175.631 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -92.91 -10.38 36.74 Favored 'General case' 0 N--CA 1.453 -0.289 0 N-CA-C 112.277 0.473 . . . . 0.0 112.277 178.13 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . -101.86 -13.58 31.54 Favored Glycine 0 CA--C 1.532 1.094 0 CA-C-O 119.346 -0.697 . . . . 0.0 113.738 -177.485 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 47.5 mm-40 -133.79 -19.58 2.05 Favored 'General case' 0 CA--C 1.53 0.177 0 CA-C-N 118.666 1.233 . . . . 0.0 112.597 -174.275 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 20.6 t70 -61.49 118.16 6.64 Favored 'General case' 0 N--CA 1.453 -0.312 0 O-C-N 121.181 -0.949 . . . . 0.0 110.113 178.305 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . 86.78 10.83 71.9 Favored Glycine 0 C--N 1.336 0.533 0 N-CA-C 110.957 -0.857 . . . . 0.0 110.957 178.97 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 73' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -75.93 169.8 17.47 Favored 'General case' 0 N--CA 1.45 -0.465 0 N-CA-C 106.276 -1.75 . . . . 0.0 106.276 171.266 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 74' ' ' MET . . . . . . . . . . . . . 33.2 ttm -114.92 120.75 40.99 Favored 'General case' 0 N--CA 1.45 -0.464 0 N-CA-C 109.403 -0.591 . . . . 0.0 109.403 -177.276 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 75' ' ' ILE . . . . . . . . . . . . . 0.2 OUTLIER -128.49 136.03 61.01 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.277 0 N-CA-C 109.645 -0.502 . . . . 0.0 109.645 179.453 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . 54.47 17.78 1.72 Allowed 'General case' 0 CA--C 1.533 0.318 0 C-N-CA 123.129 0.572 . . . . 0.0 112.185 -174.024 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 88.88 4.31 75.57 Favored Glycine 0 CA--C 1.527 0.79 0 CA-C-O 119.816 -0.436 . . . . 0.0 112.232 -179.009 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 78' ' ' GLN . . . . . . . . . . . . . 1.0 OUTLIER -123.98 131.59 53.59 Favored 'General case' 0 N--CA 1.452 -0.331 0 CA-C-N 117.694 0.747 . . . . 0.0 110.418 -179.357 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 79' ' ' VAL . . . . . . . . . . . . . 48.5 t -63.93 141.41 18.21 Favored 'Isoleucine or valine' 0 C--O 1.23 0.042 0 C-N-CA 124.038 0.935 . . . . 0.0 110.462 -178.901 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 29.5 mt -95.68 156.35 16.36 Favored 'General case' 0 N--CA 1.454 -0.268 0 CA-C-O 120.926 0.394 . . . . 0.0 111.587 177.143 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 81' ' ' ASP . . . . . . . . . . . . . 4.3 m-20 -123.4 98.24 5.77 Favored 'General case' 0 N--CA 1.456 -0.139 0 N-CA-C 107.875 -1.157 . . . . 0.0 107.875 176.497 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 82' ' ' ILE . . . . . . . . . . . . . 64.6 mt -113.69 139.76 37.55 Favored 'Isoleucine or valine' 0 CA--C 1.53 0.177 0 C-N-CA 123.087 0.555 . . . . 0.0 110.556 -170.056 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 83' ' ' ASN . . . . . . . . . . . . . 11.2 t30 -157.66 165.67 34.85 Favored 'General case' 0 N--CA 1.456 -0.139 0 C-N-CA 123.329 0.652 . . . . 0.0 109.541 -175.991 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 84' ' ' LEU . . . . . . . . . . . . . 97.7 mt -63.02 151.5 39.61 Favored 'General case' 0 N--CA 1.456 -0.163 0 N-CA-C 109.436 -0.579 . . . . 0.0 109.436 173.208 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . -76.43 2.15 14.45 Favored 'General case' 0 CA--C 1.533 0.312 0 N-CA-C 113.037 0.754 . . . . 0.0 113.037 -178.375 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . -134.08 4.37 3.5 Favored 'General case' 0 C--O 1.232 0.134 0 N-CA-C 112.692 0.627 . . . . 0.0 112.692 -176.603 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 80.9 mm-40 -136.17 52.97 7.07 Favored Pre-proline 0 CA--C 1.531 0.241 0 CA-C-N 118.116 0.416 . . . . 0.0 111.735 -176.389 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 88' ' ' PRO . . . . . . . . . . . . . 57.7 Cg_endo -63.3 145.24 92.81 Favored 'Trans proline' 0 N--CA 1.453 -0.874 0 C-N-CA 122.471 2.114 . . . . 0.0 108.384 178.236 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 89' ' ' LYS . . . . . 0.512 ' HG3' ' H ' ' A' ' 90' ' ' VAL . 5.4 ptpp? -141.74 -70.93 0.35 Allowed 'General case' 0 CA--C 1.529 0.138 0 N-CA-C 114.275 1.213 . . . . 0.0 114.275 -169.645 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 90' ' ' VAL . . . . . 0.512 ' H ' ' HG3' ' A' ' 89' ' ' LYS . 7.0 m -139.34 -24.04 0.35 Allowed 'Isoleucine or valine' 0 C--N 1.334 -0.075 0 N-CA-C 112.626 0.602 . . . . 0.0 112.626 -173.213 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 91' ' ' ASN . . . . . . . . . . . . . 2.7 p30 -94.09 20.4 7.99 Favored 'General case' 0 C--N 1.33 -0.25 0 C-N-CA 123.367 0.667 . . . . 0.0 112.123 -176.64 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 92' ' ' ARG . . . . . . . . . . . . . 66.1 ttp85 -108.11 127.03 53.45 Favored 'General case' 0 N--CA 1.453 -0.295 0 N-CA-C 108.063 -1.088 . . . . 0.0 108.063 174.031 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . -158.84 -141.48 3.15 Favored Glycine 0 CA--C 1.52 0.395 0 N-CA-C 109.955 -1.258 . . . . 0.0 109.955 -177.571 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 59.5 tptt -136.65 -18.76 1.41 Allowed 'General case' 0 N--CA 1.453 -0.316 0 N-CA-C 111.915 0.339 . . . . 0.0 111.915 -178.412 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . -146.95 -178.6 6.28 Favored 'General case' 0 N--CA 1.451 -0.386 0 C-N-CA 122.918 0.487 . . . . 0.0 110.776 -174.919 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . -68.59 -4.63 40.04 Favored Glycine 0 CA--C 1.529 0.929 0 CA-C-O 119.779 -0.456 . . . . 0.0 112.247 179.307 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 97' ' ' VAL . . . . . 0.458 HG12 ' H ' ' A' ' 99' ' ' ARG . 65.5 t -74.97 138.77 20.33 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.288 0 CA-C-N 117.694 0.747 . . . . 0.0 109.398 178.015 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 98' ' ' LYS . . . . . . . . . . . . . 74.5 mmtt -121.58 20.32 11.09 Favored 'General case' 0 CA--C 1.53 0.188 0 C-N-CA 123.204 0.602 . . . . 0.0 111.499 -175.692 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 99' ' ' ARG . . . . . 0.458 ' H ' HG12 ' A' ' 97' ' ' VAL . 90.1 mtt180 -113.96 173.12 6.59 Favored 'General case' 0 N--CA 1.457 -0.124 0 C-N-CA 124.023 0.929 . . . . 0.0 111.061 -179.474 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 6.3 t -67.17 -11.89 58.55 Favored 'General case' 0 N--CA 1.454 -0.263 0 C-N-CA 123.493 0.717 . . . . 0.0 111.754 -178.004 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 101' ' ' ALA . . . . . . . . . . . . . . . 56.86 10.01 0.69 Allowed 'General case' 0 CA--C 1.534 0.347 0 C-N-CA 124.363 1.065 . . . . 0.0 112.53 -174.654 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -146.22 3.82 0.92 Allowed 'General case' 0 CA--C 1.532 0.255 0 C-N-CA 123.8 0.84 . . . . 0.0 111.293 178.496 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 12.8 pt-20 -83.68 -3.71 57.99 Favored 'General case' 0 C--N 1.34 0.186 0 C-N-CA 122.622 0.369 . . . . 0.0 111.563 -177.907 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 104' ' ' MET . . . . . . . . . . . . . 73.9 mtm -110.84 9.66 22.49 Favored 'General case' 0 CA--C 1.531 0.238 0 C-N-CA 123.836 0.855 . . . . 0.0 111.481 -178.744 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 105' ' ' TYR . . . . . . . . . . . . . 65.0 m-85 -127.66 3.93 6.12 Favored 'General case' 0 C--O 1.232 0.134 0 C-N-CA 122.84 0.456 . . . . 0.0 111.461 -177.598 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 106' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--N 1.338 0.682 0 N-CA-C 111.253 -0.739 . . . . 0.0 111.253 179.885 . . . . . . . . 0 0 . 1 . 011 nuclear build full ' B' B ' 1' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.42 -2.751 2 C5'-C4'-C3' 108.807 -4.462 . 0.0 '__' . 0.0 . . . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 2' ' ' ' U' . . . . . 0.406 " H4'" " H5'" ' B' ' 3' ' ' ' U' . . . . . . . . 0 O4'--C4' 1.421 -2.684 1 O4'-C1'-N19 112.344 4.144 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 3 3 . 1 . 011 nuclear build full ' B' B ' 3' ' ' ' U' . . . . . 0.406 " H5'" " H4'" ' B' ' 2' ' ' ' U' . . . . . . . . 0 O4'--C4' 1.421 -2.683 0 C5'-C4'-C3' 111.797 -2.469 . 0.305 0b . 0.0 . . . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 4' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.423 -2.503 1 O4'-C1'-N19 112.576 4.376 . 0.19 4b . 0.0 . . . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 5' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.416 -3.125 1 O4'-C1'-N19 113.127 4.927 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.474 0.748 0 N-CA-C 110.966 -0.013 . . . . 0.0 110.966 . . . . . . . . . 0 0 . 1 . 012 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 50.2 m -65.4 159.81 23.34 Favored 'General case' 0 CA--C 1.527 0.065 0 C-N-CA 122.81 0.444 . . . . 0.0 110.789 -179.967 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 4' ' ' ASN . . . . . . . . . . . . . 61.9 t30 -90.28 0.08 57.39 Favored 'General case' 0 CA--C 1.533 0.323 0 C-N-CA 122.42 0.288 . . . . 0.0 111.279 -179.063 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 97.0 t -93.71 134.3 31.85 Favored 'Isoleucine or valine' 0 N--CA 1.456 -0.16 0 O-C-N 122.115 -0.365 . . . . 0.0 111.489 -175.5 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 72.2 p -150.84 6.02 0.51 Allowed 'General case' 0 CA--C 1.533 0.322 0 C-N-CA 123.64 0.776 . . . . 0.0 111.959 -177.43 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 7' ' ' ASN . . . . . . . . . . . . . 42.2 p30 -102.67 22.26 13.97 Favored 'General case' 0 C--O 1.231 0.116 0 N-CA-C 114.087 1.143 . . . . 0.0 114.087 -173.216 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 54.4 mtmt -67.52 148.31 51.65 Favored 'General case' 0 N--CA 1.457 -0.111 0 CA-C-N 118.229 0.468 . . . . 0.0 110.177 177.179 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 74.6 p -123.75 21.53 9.17 Favored 'General case' 0 N--CA 1.463 0.216 0 N-CA-C 112.725 0.639 . . . . 0.0 112.725 -172.937 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 12.4 m-20 -68.99 157.78 88.21 Favored Pre-proline 0 N--CA 1.456 -0.155 0 O-C-N 122.046 -0.409 . . . . 0.0 110.709 179.355 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 11' ' ' PRO . . . . . . . . . . . . . 31.4 Cg_exo -61.67 -0.6 1.58 Allowed 'Trans proline' 0 N--CA 1.456 -0.721 0 C-N-CA 124.046 3.164 . . . . 0.0 114.289 -174.911 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 0.7 OUTLIER -137.67 -26.08 0.98 Allowed 'General case' 0 N--CA 1.455 -0.187 0 CA-C-N 118.365 0.53 . . . . 0.0 110.89 -179.48 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 94.2 p -74.45 -27.86 60.79 Favored 'General case' 0 N--CA 1.457 -0.085 0 O-C-N 121.718 -0.614 . . . . 0.0 110.886 -179.183 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 14' ' ' MET . . . . . . . . . . . . . 18.1 ptm -86.05 3.08 43.96 Favored 'General case' 0 N--CA 1.455 -0.206 0 C-N-CA 120.603 -0.439 . . . . 0.0 112.094 176.07 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 50.2 m-80 -110.44 -25.23 10.16 Favored 'General case' 0 CA--C 1.531 0.218 0 C-N-CA 122.913 0.485 . . . . 0.0 110.186 175.139 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 86.9 p -84.0 1.2 44.88 Favored 'General case' 0 N--CA 1.454 -0.239 0 C-N-CA 122.622 0.369 . . . . 0.0 110.663 169.731 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 30.3 ttp-105 -95.97 150.31 20.6 Favored 'General case' 0 N--CA 1.455 -0.196 0 C-N-CA 123.152 0.581 . . . . 0.0 109.852 175.48 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 64.7 t -124.87 129.24 73.54 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.438 0 C-N-CA 123.119 0.567 . . . . 0.0 109.763 178.388 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 29.0 t80 -90.11 132.61 35.34 Favored 'General case' 0 N--CA 1.449 -0.482 0 N-CA-C 108.914 -0.772 . . . . 0.0 108.914 174.806 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 58.1 mt -120.84 83.46 0.79 Allowed 'Isoleucine or valine' 0 CA--C 1.52 -0.183 0 N-CA-C 107.667 -1.234 . . . . 0.0 107.667 -179.521 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -84.24 176.48 51.61 Favored Glycine 0 N--CA 1.448 -0.557 0 N-CA-C 110.423 -1.071 . . . . 0.0 110.423 178.165 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 49.1 t30 48.9 50.54 17.51 Favored 'General case' 0 N--CA 1.453 -0.323 0 N-CA-C 110.039 -0.356 . . . . 0.0 110.039 -177.692 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 50.0 tp -102.05 143.3 32.06 Favored 'General case' 0 N--CA 1.454 -0.243 0 N-CA-C 109.851 -0.426 . . . . 0.0 109.851 179.852 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 64.1 t30 -70.77 -37.53 73.36 Favored 'General case' 0 C--N 1.34 0.177 0 CA-C-N 117.742 0.246 . . . . 0.0 111.653 -178.061 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 24.1 p 54.1 -2.66 0.02 OUTLIER 'General case' 0 N--CA 1.468 0.425 0 C-N-CA 127.22 2.208 . . . . 0.0 115.472 179.898 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 7.3 mp -90.29 -15.99 30.16 Favored 'General case' 0 N--CA 1.453 -0.292 0 C-N-CA 123.143 0.577 . . . . 0.0 111.492 177.996 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 57.1 t -127.36 -17.66 2.64 Favored 'Isoleucine or valine' 0 CA--C 1.53 0.177 0 C-N-CA 122.667 0.387 . . . . 0.0 110.567 179.194 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 49.8 t -115.3 132.22 65.27 Favored 'Isoleucine or valine' 0 CA--C 1.521 -0.152 0 C-N-CA 122.2 0.2 . . . . 0.0 110.679 178.67 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 73.9 mmtt -123.08 176.72 5.89 Favored 'General case' 0 CA--C 1.52 -0.21 0 C-N-CA 124.018 0.927 . . . . 0.0 110.99 -176.564 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 5.3 ptmm? -69.89 -6.0 29.78 Favored 'General case' 0 N--CA 1.461 0.108 0 CA-C-N 115.207 -0.906 . . . . 0.0 111.866 -179.703 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 39.1 m -101.51 1.0 37.61 Favored 'General case' 0 N--CA 1.455 -0.176 0 C-N-CA 123.856 0.862 . . . . 0.0 110.382 174.67 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 20.8 m-20 -116.6 -32.51 5.17 Favored 'General case' 0 N--CA 1.449 -0.484 0 C-N-CA 123.769 0.828 . . . . 0.0 110.548 179.607 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 70.7 t -64.93 -31.8 55.47 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.195 0 N-CA-C 108.832 -0.803 . . . . 0.0 108.832 177.753 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 25.6 pt-20 -79.66 9.89 4.59 Favored 'General case' 0 CA--C 1.531 0.225 0 N-CA-C 111.858 0.318 . . . . 0.0 111.858 178.063 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -128.06 -7.92 5.42 Favored 'General case' 0 CA--C 1.531 0.239 0 C-N-CA 123.574 0.75 . . . . 0.0 110.891 176.406 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 75.2 mt -109.38 -26.15 3.33 Favored 'Isoleucine or valine' 0 C--N 1.338 0.107 0 C-N-CA 123.236 0.614 . . . . 0.0 110.332 178.642 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 37' ' ' PHE . . . . . . . . . . . . . 59.9 m-85 -104.1 -8.01 19.8 Favored 'General case' 0 N--CA 1.452 -0.34 0 C-N-CA 122.597 0.359 . . . . 0.0 110.865 179.661 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 67.6 p -73.12 -14.71 61.43 Favored 'General case' 0 C--O 1.231 0.113 0 C-N-CA 122.577 0.351 . . . . 0.0 111.462 -179.281 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 13.3 ptmm? -80.08 -11.71 59.74 Favored 'General case' 0 CA--C 1.528 0.12 0 C-N-CA 123.294 0.637 . . . . 0.0 112.231 179.058 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 40' ' ' TYR . . . . . . . . . . . . . 64.5 m-85 -106.98 -16.0 14.55 Favored 'General case' 0 C--O 1.231 0.081 0 C-N-CA 122.564 0.346 . . . . 0.0 111.725 178.447 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -175.26 162.75 32.46 Favored Glycine 0 CA--C 1.525 0.701 0 N-CA-C 112.111 -0.395 . . . . 0.0 112.111 175.073 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 77.1 tttt -73.16 114.5 11.41 Favored 'General case' 0 N--CA 1.454 -0.262 0 N-CA-C 108.832 -0.803 . . . . 0.0 108.832 177.373 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 43' ' ' ILE . . . . . . . . . . . . . 76.1 mt -83.88 127.97 39.27 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.192 0 N-CA-C 109.577 -0.527 . . . . 0.0 109.577 -178.651 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 33.4 m -106.56 -5.41 10.13 Favored 'Isoleucine or valine' 0 C--O 1.232 0.154 0 C-N-CA 123.215 0.606 . . . . 0.0 110.684 178.759 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . -170.51 146.23 9.64 Favored Glycine 0 C--N 1.337 0.617 0 N-CA-C 110.019 -1.232 . . . . 0.0 110.019 176.995 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 46' ' ' CYS . . . . . . . . . . . . . 43.3 t -149.7 143.36 25.42 Favored 'General case' 0 N--CA 1.451 -0.386 0 CA-C-N 117.133 0.466 . . . . 0.0 109.759 -179.706 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 96.2 p -151.13 148.17 27.95 Favored 'General case' 0 N--CA 1.45 -0.469 0 N-CA-C 109.902 -0.407 . . . . 0.0 109.902 177.441 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 48' ' ' VAL . . . . . . . . . . . . . 87.5 t -125.15 147.05 29.88 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.241 0 N-CA-C 109.165 -0.68 . . . . 0.0 109.165 175.623 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 49' ' ' HIS . . . . . . . . . . . . . 46.5 m-70 -135.34 -170.53 2.61 Favored 'General case' 0 N--CA 1.452 -0.329 0 N-CA-C 108.107 -1.072 . . . . 0.0 108.107 -176.441 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 50' ' ' LYS . . . . . 0.524 ' HD2' ' H ' ' A' ' 50' ' ' LYS . 0.0 OUTLIER -83.12 120.41 25.73 Favored 'General case' 0 N--CA 1.454 -0.252 0 O-C-N 121.822 -0.549 . . . . 0.0 110.005 177.475 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 77.44 -8.75 31.8 Favored Glycine 0 CA--C 1.531 1.052 0 CA-C-O 119.235 -0.758 . . . . 0.0 113.685 177.766 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 55.6 p90 -150.96 167.43 27.62 Favored 'General case' 0 CA--C 1.528 0.121 0 CA-C-N 119.001 1.401 . . . . 0.0 111.438 179.344 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -146.27 171.42 14.99 Favored 'General case' 0 CA--C 1.53 0.193 0 C-N-CA 123.65 0.78 . . . . 0.0 110.286 175.911 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 54' ' ' PHE . . . . . . . . . . . . . 15.0 m-85 -138.71 144.82 39.71 Favored 'General case' 0 N--CA 1.455 -0.212 0 C-N-CA 123.434 0.694 . . . . 0.0 110.586 179.725 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 97.5 t -135.72 136.73 50.07 Favored 'Isoleucine or valine' 0 CA--C 1.518 -0.25 0 C-N-CA 123.644 0.778 . . . . 0.0 109.11 178.664 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 56' ' ' GLN . . . . . . . . . . . . . 59.3 tp60 -116.42 129.98 56.52 Favored 'General case' 0 N--CA 1.451 -0.396 0 C-N-CA 122.822 0.449 . . . . 0.0 109.884 -176.739 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 57' ' ' TYR . . . . . . . . . . . . . 48.0 m-85 -111.62 175.96 5.21 Favored 'General case' 0 C--O 1.232 0.143 0 C-N-CA 122.963 0.505 . . . . 0.0 110.882 178.887 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 58' ' ' VAL . . . . . . . . . . . . . 77.6 t -73.08 -30.41 31.6 Favored 'Isoleucine or valine' 0 CA--C 1.529 0.16 0 CA-C-N 116.026 -0.534 . . . . 0.0 110.309 178.797 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 59' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -157.19 169.35 24.97 Favored 'General case' 0 N--CA 1.456 -0.141 0 N-CA-C 112.202 0.445 . . . . 0.0 112.202 178.053 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 66.4 tt0 -59.64 -29.89 68.34 Favored 'General case' 0 N--CA 1.457 -0.106 0 C-N-CA 123.579 0.752 . . . . 0.0 112.438 -177.902 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 25.5 tpt180 -59.12 -40.13 84.46 Favored 'General case' 0 C--N 1.339 0.131 0 CA-C-N 118.957 0.798 . . . . 0.0 110.101 179.729 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 62' ' ' ASN . . . . . . . . . . . . . 17.6 m120 -71.88 -25.5 61.96 Favored 'General case' 0 N--CA 1.449 -0.481 0 O-C-N 122.145 -0.347 . . . . 0.0 110.861 -179.891 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 63' ' ' ALA . . . . . 0.46 ' HB1' ' CD2' ' A' ' 84' ' ' LEU . . . -78.33 -36.3 46.5 Favored 'General case' 0 N--CA 1.454 -0.252 0 N-CA-C 110.379 -0.23 . . . . 0.0 110.379 179.08 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 64' ' ' ARG . . . . . . . . . . . . . 41.0 mmt180 -67.68 -26.84 66.39 Favored 'General case' 0 CA--C 1.523 -0.065 0 C-N-CA 122.518 0.327 . . . . 0.0 110.175 176.907 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -79.19 -33.12 44.19 Favored 'General case' 0 N--CA 1.452 -0.342 0 N-CA-C 110.719 -0.104 . . . . 0.0 110.719 -179.738 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -81.78 -34.78 30.19 Favored 'General case' 0 N--CA 1.451 -0.405 0 CA-C-N 117.765 0.257 . . . . 0.0 111.509 179.46 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 67' ' ' VAL . . . . . . . . . . . . . 47.7 t -64.84 -34.59 71.27 Favored 'Isoleucine or valine' 0 CA--C 1.524 -0.037 0 O-C-N 122.012 -0.43 . . . . 0.0 109.927 175.59 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -90.42 -10.58 43.3 Favored 'General case' 0 CA--C 1.53 0.179 0 N-CA-C 112.015 0.376 . . . . 0.0 112.015 178.94 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . -101.74 -14.4 29.61 Favored Glycine 0 CA--C 1.528 0.897 0 CA-C-O 119.113 -0.826 . . . . 0.0 113.646 -177.313 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 43.3 mm-40 -133.66 -19.82 2.07 Favored 'General case' 0 C--N 1.34 0.154 0 CA-C-N 118.601 1.201 . . . . 0.0 112.772 -173.6 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 22.7 t70 -61.67 118.7 7.44 Favored 'General case' 0 N--CA 1.456 -0.166 0 CA-C-N 119.187 0.903 . . . . 0.0 109.553 178.507 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . 86.08 10.8 74.29 Favored Glycine 0 C--N 1.336 0.544 0 N-CA-C 110.93 -0.868 . . . . 0.0 110.93 179.066 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 73' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -76.09 169.09 18.84 Favored 'General case' 0 N--CA 1.449 -0.499 0 N-CA-C 106.525 -1.658 . . . . 0.0 106.525 171.136 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 74' ' ' MET . . . . . . . . . . . . . 34.2 ttm -114.75 120.48 40.21 Favored 'General case' 0 N--CA 1.447 -0.576 0 N-CA-C 109.16 -0.682 . . . . 0.0 109.16 -177.253 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 75' ' ' ILE . . . . . . . . . . . . . 0.2 OUTLIER -127.23 134.92 64.86 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.419 0 N-CA-C 109.396 -0.594 . . . . 0.0 109.396 179.715 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . 54.45 18.09 1.82 Allowed 'General case' 0 CA--C 1.532 0.262 0 C-N-CA 123.389 0.676 . . . . 0.0 112.152 -174.748 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 89.88 4.2 72.68 Favored Glycine 0 CA--C 1.527 0.833 0 CA-C-O 119.811 -0.438 . . . . 0.0 112.359 -179.294 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 78' ' ' GLN . . . . . . . . . . . . . 1.0 OUTLIER -124.28 130.21 52.12 Favored 'General case' 0 N--CA 1.451 -0.399 0 CA-C-N 117.671 0.735 . . . . 0.0 110.086 -178.847 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 79' ' ' VAL . . . . . . . . . . . . . 46.0 t -63.19 141.51 18.03 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.176 0 C-N-CA 124.232 1.013 . . . . 0.0 110.409 -179.126 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 32.3 mt -96.6 156.23 16.43 Favored 'General case' 0 C--N 1.335 -0.065 0 CA-C-O 120.952 0.406 . . . . 0.0 111.192 177.257 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 81' ' ' ASP . . . . . . . . . . . . . 12.0 m-20 -122.1 106.18 10.94 Favored 'General case' 0 N--CA 1.455 -0.192 0 N-CA-C 107.679 -1.23 . . . . 0.0 107.679 174.128 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 82' ' ' ILE . . . . . . . . . . . . . 62.1 mt -121.54 137.65 54.48 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.175 0 C-N-CA 122.967 0.507 . . . . 0.0 110.921 -170.9 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 83' ' ' ASN . . . . . . . . . . . . . 2.3 p-10 -158.17 167.1 30.75 Favored 'General case' 0 CA--C 1.531 0.234 0 C-N-CA 124.279 1.032 . . . . 0.0 109.068 179.307 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 84' ' ' LEU . . . . . 0.46 ' CD2' ' HB1' ' A' ' 63' ' ' ALA . 49.8 mt -64.16 151.84 42.26 Favored 'General case' 0 CA--C 1.519 -0.229 0 O-C-N 121.857 -0.527 . . . . 0.0 109.847 176.816 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . -68.93 2.5 2.59 Favored 'General case' 0 CA--C 1.532 0.283 0 CA-C-N 116.46 -0.336 . . . . 0.0 111.86 -179.379 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . -128.42 9.36 6.07 Favored 'General case' 0 N--CA 1.454 -0.247 0 C-N-CA 123.253 0.621 . . . . 0.0 111.491 179.471 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 93.7 mt-10 -136.99 68.78 57.48 Favored Pre-proline 0 CA--C 1.532 0.255 0 O-C-N 122.265 -0.272 . . . . 0.0 111.133 -178.932 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 88' ' ' PRO . . . . . . . . . . . . . 96.0 Cg_endo -75.11 38.11 0.52 Allowed 'Trans proline' 0 N--CA 1.453 -0.904 0 C-N-CA 124.215 3.276 . . . . 0.0 110.479 172.314 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 89' ' ' LYS . . . . . 0.49 ' HG3' ' H ' ' A' ' 90' ' ' VAL . 12.9 ptpt -41.24 -53.49 3.18 Favored 'General case' 0 C--N 1.339 0.125 0 C-N-CA 125.078 1.351 . . . . 0.0 113.186 -174.435 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 90' ' ' VAL . . . . . 0.49 ' H ' ' HG3' ' A' ' 89' ' ' LYS . 47.1 t -150.5 -31.05 0.08 OUTLIER 'Isoleucine or valine' 0 N--CA 1.456 -0.158 0 C-N-CA 124.32 1.048 . . . . 0.0 110.328 -175.97 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 91' ' ' ASN . . . . . . . . . . . . . 11.0 m120 -75.87 5.77 5.98 Favored 'General case' 0 N--CA 1.451 -0.408 0 N-CA-C 113.043 0.757 . . . . 0.0 113.043 -170.048 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 92' ' ' ARG . . . . . . . . . . . . . 17.6 tpt180 -70.47 -29.45 66.0 Favored 'General case' 0 C--N 1.34 0.177 0 CA-C-N 118.515 0.598 . . . . 0.0 110.346 178.678 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . 46.91 -134.25 11.6 Favored Glycine 0 C--N 1.337 0.631 0 N-CA-C 110.879 -0.888 . . . . 0.0 110.879 -179.982 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 29.0 tptp -154.36 -45.55 0.09 Allowed 'General case' 0 N--CA 1.452 -0.363 0 N-CA-C 111.877 0.325 . . . . 0.0 111.877 178.19 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . -153.85 169.15 24.08 Favored 'General case' 0 N--CA 1.455 -0.185 0 CA-C-O 120.674 0.273 . . . . 0.0 111.319 -174.773 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . -70.98 -10.46 68.33 Favored Glycine 0 CA--C 1.522 0.513 0 CA-C-N 116.2 -0.455 . . . . 0.0 112.197 179.408 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 97' ' ' VAL . . . . . . . . . . . . . 11.2 p -112.51 132.56 60.9 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.253 0 N-CA-C 108.853 -0.795 . . . . 0.0 108.853 173.956 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 98' ' ' LYS . . . . . . . . . . . . . 91.0 mttt -128.78 19.51 6.1 Favored 'General case' 0 CA--C 1.531 0.228 0 C-N-CA 123.22 0.608 . . . . 0.0 110.746 -176.257 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 99' ' ' ARG . . . . . . . . . . . . . 18.9 tpt180 -104.54 174.52 5.84 Favored 'General case' 0 CA--C 1.529 0.165 0 C-N-CA 124.412 1.085 . . . . 0.0 109.37 -179.234 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 67.8 m -61.72 -16.82 52.5 Favored 'General case' 0 CA--C 1.528 0.121 0 N-CA-C 112.334 0.494 . . . . 0.0 112.334 177.444 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 101' ' ' ALA . . . . . . . . . . . . . . . 52.5 16.16 0.59 Allowed 'General case' 0 CA--C 1.536 0.409 0 C-N-CA 124.148 0.979 . . . . 0.0 112.382 -176.62 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -147.97 14.25 1.03 Allowed 'General case' 0 N--CA 1.451 -0.389 0 C-N-CA 123.358 0.663 . . . . 0.0 111.261 -179.058 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 20.4 pt-20 -70.16 -2.08 12.03 Favored 'General case' 0 CA--C 1.531 0.227 0 N-CA-C 112.599 0.592 . . . . 0.0 112.599 -177.133 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 104' ' ' MET . . . . . . . . . . . . . 75.3 mtm -110.33 6.5 22.44 Favored 'General case' 0 CA--C 1.531 0.227 0 C-N-CA 123.806 0.842 . . . . 0.0 111.545 178.342 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 105' ' ' TYR . . . . . . . . . . . . . 48.8 m-85 -134.68 2.15 3.15 Favored 'General case' 0 CA--C 1.529 0.148 0 C-N-CA 122.795 0.438 . . . . 0.0 111.651 -177.778 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 106' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--N 1.337 0.619 0 N-CA-C 110.827 -0.909 . . . . 0.0 110.827 -179.604 . . . . . . . . 0 0 . 1 . 012 nuclear build full ' B' B ' 1' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.422 -2.56 1 C5'-C4'-C3' 109.122 -4.252 . 0.0 '__' . 0.0 . . . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 2' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.419 -2.832 1 O4'-C1'-N19 112.505 4.305 . 0.01 4b . 0.0 . . . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 3' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.416 -3.075 0 O4'-C1'-N19 110.856 2.656 . 0.159 0b . 0.0 . . . . . . . . . . 0 0 . 1 . 012 nuclear build full ' B' B ' 4' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.423 -2.482 1 O4'-C1'-N19 112.262 4.062 . 0.28 4b . 0.0 . . . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 5' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.416 -3.081 1 O4'-C1'-N19 112.689 4.489 . 0.57 2h . 0.0 . . . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.472 0.652 0 N-CA-C 110.694 -0.113 . . . . 0.0 110.694 . . . . . . . . . 0 0 . 1 . 013 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 40.2 t -66.23 157.87 30.35 Favored 'General case' 0 C--N 1.333 -0.109 0 C-N-CA 122.574 0.349 . . . . 0.0 110.909 179.368 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 4' ' ' ASN . . . . . . . . . . . . . 2.7 p-10 -88.54 1.48 54.83 Favored 'General case' 0 CA--C 1.529 0.149 0 C-N-CA 122.812 0.445 . . . . 0.0 111.268 178.907 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 91.0 t -95.51 133.01 38.09 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.213 0 C-N-CA 122.884 0.474 . . . . 0.0 110.816 -177.566 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 62.3 p -146.69 10.74 1.08 Allowed 'General case' 0 CA--C 1.53 0.205 0 C-N-CA 123.485 0.714 . . . . 0.0 112.165 179.816 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 7' ' ' ASN . . . . . . . . . . . . . 63.2 t-20 -120.49 107.39 12.81 Favored 'General case' 0 CA--C 1.53 0.199 0 CA-C-N 119.193 0.906 . . . . 0.0 111.793 -179.032 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 55.1 mtmt -148.35 163.99 35.43 Favored 'General case' 0 N--CA 1.46 0.066 0 C-N-CA 125.644 1.578 . . . . 0.0 107.654 173.508 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 82.2 p -127.47 22.28 6.49 Favored 'General case' 0 C--O 1.233 0.196 0 N-CA-C 112.966 0.728 . . . . 0.0 112.966 -175.504 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 13.4 m-20 -66.68 153.87 92.7 Favored Pre-proline 0 N--CA 1.455 -0.187 0 N-CA-C 109.851 -0.425 . . . . 0.0 109.851 177.871 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 11' ' ' PRO . . . . . . . . . . . . . 73.8 Cg_endo -67.11 8.33 0.37 Allowed 'Trans proline' 0 N--CA 1.454 -0.845 0 C-N-CA 123.757 2.971 . . . . 0.0 112.994 -177.303 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -139.7 -29.87 0.72 Allowed 'General case' 0 C--N 1.339 0.14 0 CA-C-N 118.017 0.371 . . . . 0.0 111.488 178.005 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 82.2 p -74.33 -33.04 63.04 Favored 'General case' 0 N--CA 1.454 -0.229 0 CA-C-N 117.968 0.349 . . . . 0.0 111.137 -177.253 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 14' ' ' MET . . . . . . . . . . . . . 16.6 ptm -85.9 -3.25 58.87 Favored 'General case' 0 N--CA 1.454 -0.259 0 C-N-CA 120.589 -0.444 . . . . 0.0 112.041 178.633 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 37.0 m-80 -103.13 -17.46 15.37 Favored 'General case' 0 CA--C 1.533 0.294 0 C-N-CA 122.77 0.428 . . . . 0.0 109.905 175.527 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 15.6 m -91.04 15.02 12.38 Favored 'General case' 0 CA--C 1.531 0.222 0 C-N-CA 123.462 0.705 . . . . 0.0 110.669 172.696 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 36.6 ttm180 -113.32 156.64 23.01 Favored 'General case' 0 CA--C 1.523 -0.085 0 C-N-CA 124.708 1.203 . . . . 0.0 110.115 -175.77 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 64.8 t -130.27 134.09 63.05 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.176 0 CA-C-O 120.791 0.329 . . . . 0.0 110.309 177.022 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 22.3 t80 -94.19 131.72 39.47 Favored 'General case' 0 N--CA 1.451 -0.378 0 C-N-CA 123.878 0.871 . . . . 0.0 108.917 175.259 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 60.1 mt -120.09 84.3 0.83 Allowed 'Isoleucine or valine' 0 CA--C 1.521 -0.16 0 N-CA-C 108.002 -1.11 . . . . 0.0 108.002 -179.592 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -82.69 172.05 51.65 Favored Glycine 0 CA--C 1.524 0.644 0 N-CA-C 111.107 -0.797 . . . . 0.0 111.107 178.774 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 53.8 t30 49.55 49.39 20.02 Favored 'General case' 0 CA--C 1.533 0.311 0 C-N-CA 123.202 0.601 . . . . 0.0 111.237 -179.617 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 53.2 tp -98.55 144.87 27.4 Favored 'General case' 0 N--CA 1.455 -0.188 0 C-N-CA 123.121 0.568 . . . . 0.0 110.171 179.524 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 65.3 t30 -70.07 -39.81 75.4 Favored 'General case' 0 N--CA 1.457 -0.113 0 O-C-N 122.168 -0.332 . . . . 0.0 111.418 -177.963 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 18.2 p 56.46 -1.79 0.04 OUTLIER 'General case' 0 CA--C 1.532 0.265 0 C-N-CA 126.89 2.076 . . . . 0.0 115.389 -179.941 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 7.9 mp -90.78 -16.84 27.67 Favored 'General case' 0 CA--C 1.53 0.184 0 C-N-CA 123.019 0.527 . . . . 0.0 111.274 177.628 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 56.6 t -127.29 -17.89 2.62 Favored 'Isoleucine or valine' 0 CA--C 1.53 0.197 0 C-N-CA 122.754 0.422 . . . . 0.0 110.649 179.822 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 55.0 t -115.02 131.5 67.07 Favored 'Isoleucine or valine' 0 C--N 1.341 0.213 0 O-C-N 122.277 -0.264 . . . . 0.0 110.842 178.589 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 73.5 mmtt -122.64 177.76 5.3 Favored 'General case' 0 CA--C 1.522 -0.1 0 C-N-CA 123.934 0.894 . . . . 0.0 110.699 -177.536 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 10.9 ptmt -71.05 -5.64 32.89 Favored 'General case' 0 C--N 1.333 -0.11 0 C-N-CA 123.833 0.853 . . . . 0.0 112.026 -179.801 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 46.2 m -100.9 0.79 39.09 Favored 'General case' 0 C--N 1.333 -0.15 0 C-N-CA 123.967 0.907 . . . . 0.0 110.498 173.833 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 28.4 m-20 -116.26 -33.42 4.99 Favored 'General case' 0 N--CA 1.452 -0.328 0 C-N-CA 123.866 0.866 . . . . 0.0 110.649 179.69 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 75.6 t -64.69 -31.17 52.59 Favored 'Isoleucine or valine' 0 N--CA 1.456 -0.148 0 N-CA-C 108.95 -0.759 . . . . 0.0 108.95 177.951 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 25.5 pt-20 -79.8 8.09 7.43 Favored 'General case' 0 CA--C 1.532 0.27 0 O-C-N 122.14 -0.35 . . . . 0.0 111.823 178.221 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -126.08 -7.79 6.55 Favored 'General case' 0 N--CA 1.454 -0.227 0 C-N-CA 123.42 0.688 . . . . 0.0 111.025 176.315 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 79.3 mt -108.63 -27.93 2.84 Favored 'Isoleucine or valine' 0 C--N 1.338 0.1 0 C-N-CA 123.062 0.545 . . . . 0.0 110.508 178.607 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 37' ' ' PHE . . . . . . . . . . . . . 58.9 m-85 -102.47 -8.25 21.24 Favored 'General case' 0 N--CA 1.453 -0.29 0 C-N-CA 122.703 0.401 . . . . 0.0 110.933 -179.87 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 66.5 p -72.2 -14.77 61.88 Favored 'General case' 0 C--O 1.23 0.059 0 C-N-CA 122.421 0.288 . . . . 0.0 111.41 -178.758 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 13.2 ptmm? -81.5 -10.39 59.49 Favored 'General case' 0 C--O 1.233 0.2 0 C-N-CA 123.237 0.615 . . . . 0.0 112.189 179.296 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 40' ' ' TYR . . . . . . . . . . . . . 72.1 m-85 -107.09 -14.69 14.86 Favored 'General case' 0 C--O 1.233 0.191 0 C-N-CA 122.728 0.411 . . . . 0.0 111.426 177.914 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -176.37 161.2 29.31 Favored Glycine 0 C--N 1.335 0.516 0 N-CA-C 112.03 -0.428 . . . . 0.0 112.03 174.158 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 78.0 tttt -71.66 114.12 9.42 Favored 'General case' 0 N--CA 1.45 -0.44 0 N-CA-C 108.886 -0.783 . . . . 0.0 108.886 177.34 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 43' ' ' ILE . . . . . . . . . . . . . 72.8 mt -83.3 129.97 36.57 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.344 0 N-CA-C 109.664 -0.495 . . . . 0.0 109.664 -178.199 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 33.5 m -109.61 -6.72 11.2 Favored 'Isoleucine or valine' 0 N--CA 1.457 -0.098 0 C-N-CA 123.223 0.609 . . . . 0.0 110.668 178.753 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . -168.19 145.75 9.9 Favored Glycine 0 C--N 1.338 0.639 0 N-CA-C 109.994 -1.242 . . . . 0.0 109.994 176.946 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 46' ' ' CYS . . . . . . . . . . . . . 49.1 t -150.37 144.46 25.49 Favored 'General case' 0 N--CA 1.453 -0.32 0 N-CA-C 109.864 -0.421 . . . . 0.0 109.864 -179.542 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 22.7 t -153.94 148.22 25.93 Favored 'General case' 0 N--CA 1.453 -0.287 0 N-CA-C 109.986 -0.375 . . . . 0.0 109.986 177.196 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 48' ' ' VAL . . . . . . . . . . . . . 83.6 t -125.45 147.06 30.21 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.264 0 N-CA-C 109.204 -0.665 . . . . 0.0 109.204 177.184 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 49' ' ' HIS . . . . . . . . . . . . . 45.0 m-70 -133.41 -166.92 1.84 Allowed 'General case' 0 N--CA 1.45 -0.438 0 N-CA-C 107.915 -1.143 . . . . 0.0 107.915 -177.407 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 29.7 mmmt -89.78 119.32 30.07 Favored 'General case' 0 N--CA 1.457 -0.108 0 O-C-N 121.807 -0.558 . . . . 0.0 110.088 176.402 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 83.04 -12.99 46.99 Favored Glycine 0 CA--C 1.53 0.987 0 C-N-CA 123.718 0.675 . . . . 0.0 113.107 179.059 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 53.7 p90 -149.93 169.04 22.09 Favored 'General case' 0 CA--C 1.527 0.075 0 CA-C-N 118.541 1.171 . . . . 0.0 111.601 179.659 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -148.11 171.05 16.49 Favored 'General case' 0 N--CA 1.456 -0.164 0 C-N-CA 123.964 0.906 . . . . 0.0 109.881 176.458 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 54' ' ' PHE . . . . . . . . . . . . . 13.1 m-85 -139.65 146.93 40.32 Favored 'General case' 0 N--CA 1.451 -0.388 0 C-N-CA 123.364 0.665 . . . . 0.0 110.653 -179.495 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 97.8 t -135.56 146.71 29.41 Favored 'Isoleucine or valine' 0 CA--C 1.518 -0.282 0 N-CA-C 108.756 -0.831 . . . . 0.0 108.756 178.101 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 56' ' ' GLN . . . . . . . . . . . . . 68.3 tp60 -126.24 132.23 51.76 Favored 'General case' 0 N--CA 1.449 -0.477 0 N-CA-C 109.043 -0.725 . . . . 0.0 109.043 -178.776 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 57' ' ' TYR . . . . . . . . . . . . . 42.7 m-85 -114.5 175.45 5.48 Favored 'General case' 0 N--CA 1.454 -0.256 0 C-N-CA 123.577 0.751 . . . . 0.0 110.453 -179.825 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 58' ' ' VAL . . . . . . . . . . . . . 60.2 t -71.04 -30.1 39.77 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.415 0 CA-C-N 115.857 -0.611 . . . . 0.0 110.346 178.493 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 59' ' ' ASN . . . . . . . . . . . . . 0.0 OUTLIER -156.49 165.85 35.11 Favored 'General case' 0 N--CA 1.454 -0.233 0 N-CA-C 112.42 0.526 . . . . 0.0 112.42 178.063 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 82.9 tt0 -57.2 -29.81 64.02 Favored 'General case' 0 CA--C 1.528 0.13 0 C-N-CA 123.935 0.894 . . . . 0.0 112.742 -179.674 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 19.5 tpp180 -60.06 -37.73 80.74 Favored 'General case' 0 CA--C 1.529 0.147 0 CA-C-N 119.398 0.999 . . . . 0.0 109.897 179.811 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 62' ' ' ASN . . . . . . . . . . . . . 18.1 m120 -72.29 -24.74 61.38 Favored 'General case' 0 N--CA 1.45 -0.445 0 C-N-CA 120.738 -0.385 . . . . 0.0 110.956 179.125 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -75.04 -39.04 61.27 Favored 'General case' 0 N--CA 1.455 -0.219 0 N-CA-C 110.161 -0.311 . . . . 0.0 110.161 178.048 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 64' ' ' ARG . . . . . . . . . . . . . 24.1 mmt180 -66.96 -27.85 67.8 Favored 'General case' 0 C--O 1.23 0.05 0 N-CA-C 110.331 -0.248 . . . . 0.0 110.331 178.386 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -77.23 -33.79 56.04 Favored 'General case' 0 N--CA 1.452 -0.352 0 CA-C-N 117.401 0.092 . . . . 0.0 111.084 -179.261 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -83.13 -34.18 26.11 Favored 'General case' 0 N--CA 1.452 -0.35 0 O-C-N 122.237 -0.289 . . . . 0.0 111.626 179.854 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 67' ' ' VAL . . . . . . . . . . . . . 51.2 t -64.62 -33.95 66.59 Favored 'Isoleucine or valine' 0 C--O 1.23 0.054 0 N-CA-C 110.105 -0.332 . . . . 0.0 110.105 175.675 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -93.03 -10.04 37.6 Favored 'General case' 0 N--CA 1.455 -0.202 0 N-CA-C 112.186 0.439 . . . . 0.0 112.186 178.054 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . -101.2 -14.69 30.07 Favored Glycine 0 CA--C 1.529 0.925 0 CA-C-O 119.139 -0.812 . . . . 0.0 113.753 -177.504 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 45.8 mm-40 -131.85 -16.59 2.9 Favored 'General case' 0 N--CA 1.463 0.198 0 CA-C-N 118.775 1.288 . . . . 0.0 112.695 -175.011 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 25.4 t70 -60.73 119.78 8.81 Favored 'General case' 0 N--CA 1.453 -0.283 0 O-C-N 121.067 -1.021 . . . . 0.0 109.998 177.505 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . 78.64 19.28 73.86 Favored Glycine 0 CA--C 1.529 0.949 0 CA-C-O 119.931 -0.371 . . . . 0.0 112.922 177.857 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 73' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -79.97 -20.11 46.3 Favored 'General case' 0 N--CA 1.467 0.375 0 N-CA-C 113.506 0.928 . . . . 0.0 113.506 -175.118 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 74' ' ' MET . . . . . . . . . . . . . 58.1 ttm 73.34 121.51 0.04 OUTLIER 'General case' 0 C--N 1.327 -0.387 0 C-N-CA 127.058 2.143 . . . . 0.0 111.694 177.735 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 75' ' ' ILE . . . . . . . . . . . . . 0.3 OUTLIER -136.73 139.76 44.29 Favored 'Isoleucine or valine' 0 N--CA 1.446 -0.658 0 CA-C-N 115.092 -0.958 . . . . 0.0 109.44 -176.805 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . 55.28 15.53 1.37 Allowed 'General case' 0 CA--C 1.533 0.324 0 N-CA-C 112.407 0.521 . . . . 0.0 112.407 -175.318 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 91.67 4.4 67.74 Favored Glycine 0 CA--C 1.528 0.885 0 CA-C-O 119.684 -0.509 . . . . 0.0 111.879 -179.429 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 78' ' ' GLN . . . . . . . . . . . . . 1.0 OUTLIER -124.92 131.73 53.39 Favored 'General case' 0 N--CA 1.453 -0.28 0 CA-C-N 117.755 0.778 . . . . 0.0 109.866 -179.376 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 79' ' ' VAL . . . . . . . . . . . . . 38.7 t -65.35 139.34 21.52 Favored 'Isoleucine or valine' 0 CA--C 1.523 -0.085 0 C-N-CA 123.743 0.817 . . . . 0.0 110.453 -176.86 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 26.8 mt -94.62 156.35 16.46 Favored 'General case' 0 N--CA 1.456 -0.137 0 CA-C-O 120.816 0.341 . . . . 0.0 110.603 176.749 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 81' ' ' ASP . . . . . . . . . . . . . 6.1 m-20 -125.32 95.78 4.59 Favored 'General case' 0 N--CA 1.453 -0.304 0 N-CA-C 107.615 -1.254 . . . . 0.0 107.615 177.101 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 82' ' ' ILE . . . . . . . . . . . . . 67.0 mt -109.96 139.11 34.63 Favored 'Isoleucine or valine' 0 N--CA 1.456 -0.172 0 C-N-CA 123.273 0.629 . . . . 0.0 109.899 -170.614 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 83' ' ' ASN . . . . . . . . . . . . . 6.7 t30 -154.12 158.13 39.95 Favored 'General case' 0 CA--C 1.53 0.21 0 N-CA-C 109.783 -0.451 . . . . 0.0 109.783 -175.853 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 84' ' ' LEU . . . . . . . . . . . . . 17.6 tp -60.46 139.69 57.6 Favored 'General case' 0 N--CA 1.45 -0.45 0 N-CA-C 109.174 -0.676 . . . . 0.0 109.174 174.408 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . -71.46 1.71 6.01 Favored 'General case' 0 CA--C 1.531 0.225 0 N-CA-C 113.5 0.926 . . . . 0.0 113.5 -175.216 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . -132.15 2.32 3.93 Favored 'General case' 0 CA--C 1.53 0.211 0 CA-C-N 118.883 0.765 . . . . 0.0 112.825 -176.544 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 80.9 mm-40 -138.65 62.3 28.03 Favored Pre-proline 0 C--O 1.232 0.179 0 CA-C-N 118.101 0.41 . . . . 0.0 110.514 -177.968 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 88' ' ' PRO . . . . . . . . . . . . . 61.0 Cg_endo -66.79 156.24 66.9 Favored 'Trans proline' 0 N--CA 1.454 -0.826 0 C-N-CA 122.878 2.385 . . . . 0.0 109.965 177.7 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 89' ' ' LYS . . . . . 0.47 ' HG3' ' H ' ' A' ' 90' ' ' VAL . 14.3 ptpt -145.17 -97.38 0.1 Allowed 'General case' 0 N--CA 1.454 -0.273 0 C-N-CA 122.788 0.435 . . . . 0.0 111.078 -173.973 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 90' ' ' VAL . . . . . 0.47 ' H ' ' HG3' ' A' ' 89' ' ' LYS . 4.0 m -122.28 -13.94 7.01 Favored 'Isoleucine or valine' 0 C--O 1.231 0.094 0 C-N-CA 124.303 1.041 . . . . 0.0 111.402 -178.189 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 91' ' ' ASN . . . . . . . . . . . . . 23.4 m120 -79.94 15.0 1.57 Allowed 'General case' 0 N--CA 1.455 -0.215 0 C-N-CA 123.48 0.712 . . . . 0.0 112.236 -177.047 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 92' ' ' ARG . . . . . . . . . . . . . 39.3 ttt180 -125.44 127.4 46.46 Favored 'General case' 0 N--CA 1.451 -0.382 0 CA-C-O 121.407 0.622 . . . . 0.0 109.485 175.193 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . -161.25 -141.08 3.03 Favored Glycine 0 CA--C 1.522 0.489 0 N-CA-C 107.42 -2.272 . . . . 0.0 107.42 178.7 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 96.9 mttt -134.44 -28.92 1.25 Allowed 'General case' 0 C--O 1.231 0.121 0 CA-C-N 117.75 0.775 . . . . 0.0 111.416 176.013 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . -163.8 179.3 7.19 Favored 'General case' 0 N--CA 1.453 -0.323 0 C-N-CA 123.24 0.616 . . . . 0.0 110.003 179.378 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . -69.48 -11.16 64.58 Favored Glycine 0 CA--C 1.527 0.843 0 N-CA-C 111.416 -0.674 . . . . 0.0 111.416 176.008 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 97' ' ' VAL . . . . . . . . . . . . . 13.6 p -104.6 141.06 20.9 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.245 0 N-CA-C 109.125 -0.695 . . . . 0.0 109.125 174.693 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 98' ' ' LYS . . . . . . . . . . . . . 8.3 mptt -115.13 29.99 7.66 Favored 'General case' 0 CA--C 1.529 0.145 0 C-N-CA 123.452 0.701 . . . . 0.0 111.553 -175.196 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 99' ' ' ARG . . . . . . . . . . . . . 21.4 tpt180 -136.23 170.48 15.96 Favored 'General case' 0 CA--C 1.529 0.141 0 C-N-CA 123.893 0.877 . . . . 0.0 109.121 179.234 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 67.0 m -61.87 -15.1 39.77 Favored 'General case' 0 C--O 1.232 0.135 0 N-CA-C 112.503 0.557 . . . . 0.0 112.503 179.305 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 101' ' ' ALA . . . . . . . . . . . . . . . 53.0 17.1 0.83 Allowed 'General case' 0 CA--C 1.533 0.303 0 C-N-CA 123.989 0.916 . . . . 0.0 112.209 -176.486 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -148.86 14.23 0.92 Allowed 'General case' 0 N--CA 1.454 -0.267 0 C-N-CA 123.654 0.781 . . . . 0.0 110.946 -178.558 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 20.5 pt-20 -68.36 -4.97 16.35 Favored 'General case' 0 CA--C 1.531 0.221 0 N-CA-C 112.459 0.54 . . . . 0.0 112.459 -175.989 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 104' ' ' MET . . . . . . . . . . . . . 73.5 mtm -105.84 6.54 31.7 Favored 'General case' 0 CA--C 1.533 0.295 0 C-N-CA 123.449 0.7 . . . . 0.0 111.472 178.903 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 105' ' ' TYR . . . . . . . . . . . . . 61.1 m-85 -133.52 -2.09 3.08 Favored 'General case' 0 CA--C 1.53 0.183 0 C-N-CA 122.814 0.446 . . . . 0.0 111.879 -177.599 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 106' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--N 1.339 0.735 0 N-CA-C 111.445 -0.662 . . . . 0.0 111.445 179.066 . . . . . . . . 0 0 . 1 . 013 nuclear build full ' B' B ' 1' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.423 -2.469 1 C5'-C4'-C3' 108.139 -4.907 . 0.0 '__' . 0.0 . . . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 2' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.42 -2.783 1 O4'-C1'-N19 112.92 4.72 . 0.01 4b . 0.0 . . . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 3' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.421 -2.65 0 C5'-C4'-C3' 111.565 -2.624 . 0.105 0b . 0.0 . . . . . . . . . . 0 0 . 1 . 013 nuclear build full ' B' B ' 4' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.423 -2.499 1 O4'-C1'-N19 112.336 4.136 . 0.137 4b . 0.0 . . . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 5' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.423 -2.505 1 O4'-C1'-N19 113.184 4.984 . 0.6 2u . 0.0 . . . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.471 0.602 0 CA-C-O 120.509 0.195 . . . . 0.0 110.771 . . . . . . . . . 0 0 . 1 . 014 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 52.0 m -68.73 159.97 31.25 Favored 'General case' 0 C--N 1.339 0.129 0 C-N-CA 122.688 0.395 . . . . 0.0 110.779 179.447 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 4' ' ' ASN . . . . . . . . . . . . . 52.8 p-10 -88.92 6.02 41.3 Favored 'General case' 0 CA--C 1.532 0.271 0 C-N-CA 122.756 0.422 . . . . 0.0 111.989 -179.935 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 96.9 t -94.67 134.0 33.64 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.18 0 C-N-CA 123.116 0.567 . . . . 0.0 110.56 -178.223 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 60.7 p -146.66 5.13 0.9 Allowed 'General case' 0 C--N 1.339 0.114 0 C-N-CA 123.205 0.602 . . . . 0.0 111.86 179.265 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 7' ' ' ASN . . . . . . . . . . . . . 62.3 t-20 -103.16 111.65 24.13 Favored 'General case' 0 N--CA 1.455 -0.182 0 O-C-N 121.338 -0.851 . . . . 0.0 110.893 -177.14 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 65.5 mttp -147.86 156.67 42.95 Favored 'General case' 0 N--CA 1.462 0.151 0 C-N-CA 124.646 1.179 . . . . 0.0 108.879 178.0 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 75.1 p -132.12 14.13 4.69 Favored 'General case' 0 C--N 1.333 -0.121 0 CA-C-N 117.856 0.298 . . . . 0.0 111.695 -178.434 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 10.0 m-20 -67.84 154.03 94.22 Favored Pre-proline 0 N--CA 1.455 -0.199 0 C-N-CA 122.877 0.471 . . . . 0.0 110.504 178.977 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 11' ' ' PRO . . . . . . . . . . . . . 72.0 Cg_endo -68.54 12.25 0.25 Allowed 'Trans proline' 0 N--CA 1.457 -0.647 0 C-N-CA 124.442 3.428 . . . . 0.0 113.012 -176.504 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -144.23 -32.89 0.42 Allowed 'General case' 0 C--N 1.339 0.118 0 CA-C-N 117.94 0.336 . . . . 0.0 110.782 174.468 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 14.9 m -77.39 -17.91 57.78 Favored 'General case' 0 N--CA 1.458 -0.068 0 N-CA-C 112.404 0.52 . . . . 0.0 112.404 -176.515 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 14' ' ' MET . . . . . . . . . . . . . 11.3 ptm -95.52 1.45 53.92 Favored 'General case' 0 N--CA 1.457 -0.098 0 CA-C-N 118.793 0.724 . . . . 0.0 111.417 174.486 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 16.6 m120 -108.13 -19.76 13.38 Favored 'General case' 0 N--CA 1.455 -0.222 0 C-N-CA 122.69 0.396 . . . . 0.0 110.481 -179.976 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 70.2 p -86.97 5.06 39.11 Favored 'General case' 0 N--CA 1.456 -0.173 0 C-N-CA 123.412 0.685 . . . . 0.0 110.996 170.911 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 30.2 ttp-105 -100.06 154.43 18.42 Favored 'General case' 0 N--CA 1.456 -0.158 0 C-N-CA 123.576 0.75 . . . . 0.0 110.299 177.671 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 88.1 t -128.09 130.89 69.78 Favored 'Isoleucine or valine' 0 N--CA 1.449 -0.507 0 C-N-CA 123.168 0.587 . . . . 0.0 110.095 177.87 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 16.1 t80 -86.93 133.5 33.59 Favored 'General case' 0 N--CA 1.452 -0.372 0 C-N-CA 123.917 0.887 . . . . 0.0 109.052 175.08 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 64.0 mt -122.0 83.36 0.8 Allowed 'Isoleucine or valine' 0 N--CA 1.455 -0.184 0 N-CA-C 107.797 -1.186 . . . . 0.0 107.797 178.21 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -84.73 173.31 49.14 Favored Glycine 0 CA--C 1.523 0.548 0 N-CA-C 110.998 -0.841 . . . . 0.0 110.998 178.04 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 59.1 t30 48.6 49.15 18.94 Favored 'General case' 0 CA--C 1.532 0.253 0 C-N-CA 123.072 0.549 . . . . 0.0 110.858 -178.666 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 59.4 tp -101.19 146.25 27.75 Favored 'General case' 0 CA--C 1.529 0.148 0 N-CA-C 109.381 -0.6 . . . . 0.0 109.381 179.219 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 64.0 t30 -70.22 -37.25 74.99 Favored 'General case' 0 N--CA 1.455 -0.191 0 O-C-N 122.205 -0.309 . . . . 0.0 111.424 -177.338 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 49.7 p 51.95 7.52 0.05 Allowed 'General case' 0 N--CA 1.465 0.317 0 C-N-CA 126.385 1.874 . . . . 0.0 115.106 178.992 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 6.7 mp -102.03 -14.23 17.22 Favored 'General case' 0 CA--C 1.53 0.175 0 C-N-CA 123.589 0.756 . . . . 0.0 111.095 176.516 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 61.5 t -128.14 -20.14 1.93 Allowed 'Isoleucine or valine' 0 C--O 1.23 0.06 0 C-N-CA 122.937 0.495 . . . . 0.0 110.636 178.773 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 57.4 t -108.27 137.05 41.77 Favored 'Isoleucine or valine' 0 C--O 1.234 0.247 0 O-C-N 122.262 -0.273 . . . . 0.0 110.3 178.003 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -127.31 171.85 11.13 Favored 'General case' 0 C--N 1.337 0.062 0 C-N-CA 124.07 0.948 . . . . 0.0 109.753 -178.582 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 10.7 ptmt -66.77 -5.01 10.45 Favored 'General case' 0 CA--C 1.529 0.135 0 C-N-CA 123.651 0.78 . . . . 0.0 112.638 179.909 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 53.3 p -95.68 -11.63 26.8 Favored 'General case' 0 CA--C 1.529 0.148 0 C-N-CA 123.593 0.757 . . . . 0.0 110.969 174.684 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 39.4 m-20 -103.23 -34.38 8.84 Favored 'General case' 0 N--CA 1.452 -0.37 0 C-N-CA 124.451 1.1 . . . . 0.0 110.691 179.54 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 85.6 t -66.62 -30.61 50.28 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.188 0 N-CA-C 109.014 -0.736 . . . . 0.0 109.014 -179.187 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 25.5 pt-20 -80.15 8.08 7.98 Favored 'General case' 0 CA--C 1.532 0.254 0 N-CA-C 111.818 0.303 . . . . 0.0 111.818 178.178 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -125.92 -9.32 6.62 Favored 'General case' 0 N--CA 1.456 -0.17 0 C-N-CA 123.251 0.62 . . . . 0.0 111.168 176.407 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 73.3 mt -107.26 -28.1 2.87 Favored 'Isoleucine or valine' 0 C--N 1.34 0.193 0 C-N-CA 123.055 0.542 . . . . 0.0 110.591 178.692 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 37' ' ' PHE . . . . . . . . . . . . . 66.1 m-85 -101.86 -8.84 21.27 Favored 'General case' 0 N--CA 1.453 -0.311 0 C-N-CA 122.56 0.344 . . . . 0.0 111.102 179.559 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 26.6 t -73.12 -13.56 61.21 Favored 'General case' 0 CA--C 1.528 0.118 0 O-C-N 122.194 -0.317 . . . . 0.0 111.149 -178.709 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 18.3 ptmt -83.92 -10.8 57.69 Favored 'General case' 0 CA--C 1.53 0.211 0 C-N-CA 122.893 0.477 . . . . 0.0 112.031 179.714 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 40' ' ' TYR . . . . . . . . . . . . . 74.8 m-85 -106.24 -14.73 15.04 Favored 'General case' 0 N--CA 1.463 0.191 0 C-N-CA 122.643 0.377 . . . . 0.0 111.216 177.957 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -176.59 160.21 27.54 Favored Glycine 0 C--N 1.335 0.476 0 N-CA-C 111.877 -0.489 . . . . 0.0 111.877 174.673 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 78.6 tttt -72.11 114.35 10.12 Favored 'General case' 0 N--CA 1.452 -0.35 0 N-CA-C 108.744 -0.836 . . . . 0.0 108.744 178.337 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 43' ' ' ILE . . . . . . . . . . . . . 74.4 mt -83.22 129.28 37.73 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.182 0 N-CA-C 109.745 -0.465 . . . . 0.0 109.745 -178.447 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 34.1 m -108.56 -6.61 10.91 Favored 'Isoleucine or valine' 0 CA--C 1.527 0.07 0 C-N-CA 123.364 0.666 . . . . 0.0 110.731 178.329 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . -172.21 147.42 9.96 Favored Glycine 0 CA--C 1.525 0.696 0 N-CA-C 110.05 -1.22 . . . . 0.0 110.05 177.14 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 46' ' ' CYS . . . . . . . . . . . . . 52.9 t -153.04 144.82 23.56 Favored 'General case' 0 N--CA 1.45 -0.425 0 N-CA-C 109.804 -0.443 . . . . 0.0 109.804 179.777 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 22.6 t -151.53 142.85 23.38 Favored 'General case' 0 N--CA 1.45 -0.471 0 N-CA-C 109.963 -0.384 . . . . 0.0 109.963 177.265 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 48' ' ' VAL . . . . . . . . . . . . . 93.8 t -120.0 146.23 25.09 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.376 0 N-CA-C 109.186 -0.672 . . . . 0.0 109.186 178.245 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 49' ' ' HIS . . . . . . . . . . . . . 43.4 m-70 -131.78 -163.17 1.3 Allowed 'General case' 0 N--CA 1.452 -0.353 0 C-N-CA 124.458 1.103 . . . . 0.0 108.036 -176.677 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 7.0 tmtt? -93.18 114.38 26.86 Favored 'General case' 0 N--CA 1.454 -0.269 0 N-CA-C 109.307 -0.627 . . . . 0.0 109.307 177.829 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 85.62 -11.42 61.7 Favored Glycine 0 CA--C 1.528 0.888 0 CA-C-O 119.674 -0.515 . . . . 0.0 113.289 178.636 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 50.5 p90 -149.83 167.24 27.13 Favored 'General case' 0 N--CA 1.456 -0.129 0 CA-C-N 118.576 1.188 . . . . 0.0 111.545 179.254 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -148.63 172.27 14.82 Favored 'General case' 0 N--CA 1.455 -0.207 0 C-N-CA 123.837 0.855 . . . . 0.0 110.389 176.897 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 54' ' ' PHE . . . . . . . . . . . . . 21.9 m-85 -140.95 145.93 36.68 Favored 'General case' 0 N--CA 1.453 -0.308 0 C-N-CA 123.915 0.886 . . . . 0.0 110.79 179.75 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 96.8 t -135.98 136.13 49.94 Favored 'Isoleucine or valine' 0 CA--C 1.519 -0.241 0 C-N-CA 123.573 0.749 . . . . 0.0 109.181 178.17 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 56' ' ' GLN . . . . . . . . . . . . . 58.2 tp60 -115.58 130.29 56.82 Favored 'General case' 0 N--CA 1.45 -0.454 0 C-N-CA 123.343 0.657 . . . . 0.0 109.541 -177.374 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 57' ' ' TYR . . . . . . . . . . . . . 43.2 m-85 -111.38 177.25 4.72 Favored 'General case' 0 N--CA 1.454 -0.247 0 C-N-CA 123.396 0.678 . . . . 0.0 110.758 179.47 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 58' ' ' VAL . . . . . . . . . . . . . 68.7 t -72.47 -31.39 37.89 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.183 0 CA-C-N 116.517 -0.311 . . . . 0.0 110.218 178.45 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 59' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -155.36 169.55 23.97 Favored 'General case' 0 C--O 1.231 0.129 0 CA-C-O 121.144 0.497 . . . . 0.0 112.331 178.901 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 74.3 tt0 -59.55 -30.53 68.69 Favored 'General case' 0 N--CA 1.455 -0.205 0 C-N-CA 123.883 0.873 . . . . 0.0 112.215 -178.301 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 19.2 tpp180 -59.7 -38.57 81.96 Favored 'General case' 0 N--CA 1.456 -0.134 0 CA-C-N 118.912 0.778 . . . . 0.0 109.923 -179.916 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 62' ' ' ASN . . . . . . . . . . . . . 19.5 m120 -71.44 -25.04 62.14 Favored 'General case' 0 N--CA 1.452 -0.345 0 C-N-CA 121.08 -0.248 . . . . 0.0 111.047 179.637 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -74.68 -37.59 62.62 Favored 'General case' 0 N--CA 1.454 -0.228 0 N-CA-C 110.372 -0.233 . . . . 0.0 110.372 177.982 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 64' ' ' ARG . . . . . . . . . . . . . 32.1 mmt180 -69.75 -26.45 64.31 Favored 'General case' 0 N--CA 1.457 -0.088 0 N-CA-C 110.606 -0.146 . . . . 0.0 110.606 179.392 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -78.36 -33.38 49.05 Favored 'General case' 0 N--CA 1.454 -0.237 0 CA-C-N 117.389 0.086 . . . . 0.0 110.877 -179.743 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -82.31 -35.8 27.6 Favored 'General case' 0 N--CA 1.452 -0.372 0 O-C-N 122.024 -0.422 . . . . 0.0 111.452 179.217 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 67' ' ' VAL . . . . . . . . . . . . . 52.0 t -64.98 -30.78 51.37 Favored 'Isoleucine or valine' 0 C--O 1.227 -0.097 0 N-CA-C 109.904 -0.406 . . . . 0.0 109.904 176.038 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -94.33 -10.31 33.12 Favored 'General case' 0 N--CA 1.455 -0.2 0 O-C-N 122.108 -0.37 . . . . 0.0 111.857 177.772 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . -101.93 -13.08 32.69 Favored Glycine 0 CA--C 1.532 1.113 0 CA-C-O 119.216 -0.769 . . . . 0.0 113.924 -177.415 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 24.7 mm-40 -135.56 -19.38 1.63 Allowed 'General case' 0 N--CA 1.465 0.278 0 CA-C-N 118.671 1.236 . . . . 0.0 112.561 -174.282 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 18.9 t0 -61.96 118.32 7.1 Favored 'General case' 0 N--CA 1.455 -0.177 0 CA-C-N 119.425 1.011 . . . . 0.0 110.244 178.893 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . 87.2 9.96 72.27 Favored Glycine 0 C--N 1.336 0.577 0 N-CA-C 111.115 -0.794 . . . . 0.0 111.115 179.258 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 73' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -75.95 168.8 19.37 Favored 'General case' 0 N--CA 1.45 -0.427 0 N-CA-C 106.482 -1.673 . . . . 0.0 106.482 171.511 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 74' ' ' MET . . . . . . . . . . . . . 32.4 ttm -113.69 121.61 44.63 Favored 'General case' 0 N--CA 1.45 -0.453 0 N-CA-C 109.342 -0.614 . . . . 0.0 109.342 -176.97 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 75' ' ' ILE . . . . . . . . . . . . . 0.2 OUTLIER -129.11 136.39 59.72 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.28 0 N-CA-C 109.335 -0.616 . . . . 0.0 109.335 179.692 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . 54.37 17.35 1.53 Allowed 'General case' 0 CA--C 1.531 0.238 0 C-N-CA 123.324 0.649 . . . . 0.0 112.204 -174.177 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 89.61 4.66 72.86 Favored Glycine 0 CA--C 1.527 0.81 0 CA-C-O 119.753 -0.47 . . . . 0.0 112.194 -179.111 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 78' ' ' GLN . . . . . . . . . . . . . 1.0 OUTLIER -124.65 132.12 53.43 Favored 'General case' 0 N--CA 1.451 -0.383 0 CA-C-N 117.897 0.849 . . . . 0.0 110.503 -179.531 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 79' ' ' VAL . . . . . . . . . . . . . 47.2 t -64.29 140.08 20.29 Favored 'Isoleucine or valine' 0 N--CA 1.462 0.172 0 C-N-CA 124.492 1.117 . . . . 0.0 110.434 -179.029 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 30.4 mt -94.02 156.65 16.49 Favored 'General case' 0 N--CA 1.458 -0.075 0 CA-C-O 120.938 0.399 . . . . 0.0 111.394 177.509 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 81' ' ' ASP . . . . . . . . . . . . . 56.1 t0 -122.22 97.19 5.36 Favored 'General case' 0 N--CA 1.456 -0.15 0 N-CA-C 107.628 -1.249 . . . . 0.0 107.628 174.365 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 82' ' ' ILE . . . . . . . . . . . . . 67.4 mt -111.15 140.19 31.57 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.39 0 C-N-CA 123.156 0.582 . . . . 0.0 109.739 -171.288 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 83' ' ' ASN . . . . . . . . . . . . . 1.6 t30 -156.15 157.36 35.82 Favored 'General case' 0 N--CA 1.453 -0.31 0 CA-C-O 120.693 0.283 . . . . 0.0 110.785 -172.854 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 84' ' ' LEU . . . . . 0.4 HD22 ' HA ' ' A' ' 84' ' ' LEU . 1.2 tm? -59.58 131.06 49.79 Favored 'General case' 0 N--CA 1.453 -0.282 0 N-CA-C 107.914 -1.143 . . . . 0.0 107.914 172.6 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . -65.76 1.44 1.32 Allowed 'General case' 0 CA--C 1.532 0.288 0 N-CA-C 114.688 1.366 . . . . 0.0 114.688 -172.592 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . -134.77 3.94 3.28 Favored 'General case' 0 N--CA 1.454 -0.233 0 CA-C-N 118.903 0.774 . . . . 0.0 112.775 -177.62 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 73.2 mt-10 -140.91 63.55 19.3 Favored Pre-proline 0 C--O 1.231 0.106 0 N-CA-C 110.036 -0.357 . . . . 0.0 110.036 -179.637 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 88' ' ' PRO . . . . . . . . . . . . . 33.3 Cg_endo -57.33 135.43 70.06 Favored 'Trans proline' 0 N--CA 1.456 -0.696 0 C-N-CA 123.102 2.535 . . . . 0.0 109.514 -179.196 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 89' ' ' LYS . . . . . 0.424 ' HG3' ' H ' ' A' ' 90' ' ' VAL . 3.0 ptpp? -47.04 -65.59 0.54 Allowed 'General case' 0 CA--C 1.529 0.16 0 C-N-CA 124.299 1.04 . . . . 0.0 113.448 -170.738 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 90' ' ' VAL . . . . . 0.424 ' H ' ' HG3' ' A' ' 89' ' ' LYS . 55.4 t -146.91 -42.24 0.11 Allowed 'Isoleucine or valine' 0 CA--C 1.522 -0.099 0 C-N-CA 123.125 0.57 . . . . 0.0 109.515 177.967 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 91' ' ' ASN . . . . . . . . . . . . . 8.1 p30 -144.22 160.7 40.51 Favored 'General case' 0 N--CA 1.447 -0.602 0 N-CA-C 108.425 -0.954 . . . . 0.0 108.425 -178.131 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 92' ' ' ARG . . . . . . . . . . . . . 27.5 ttm180 -80.9 -18.55 46.84 Favored 'General case' 0 N--CA 1.456 -0.169 0 CA-C-O 120.783 0.325 . . . . 0.0 110.906 -179.914 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . 83.57 -58.76 5.01 Favored Glycine 0 CA--C 1.523 0.544 0 C-N-CA 123.468 0.556 . . . . 0.0 112.841 174.55 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 94' ' ' LYS . . . . . 0.457 ' HA ' " H2'" ' B' ' 1' ' ' ' U' . 50.8 mtmt 56.7 -1.83 0.05 OUTLIER 'General case' 0 CA--C 1.529 0.155 0 N-CA-C 115.277 1.584 . . . . 0.0 115.277 -178.611 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . -151.14 147.87 27.58 Favored 'General case' 0 N--CA 1.451 -0.406 0 CA-C-N 118.637 0.653 . . . . 0.0 110.191 -178.71 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . -80.5 -9.18 86.77 Favored Glycine 0 CA--C 1.527 0.835 0 N-CA-C 112.235 -0.346 . . . . 0.0 112.235 -178.909 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 97' ' ' VAL . . . . . 0.46 HG22 ' H ' ' A' ' 99' ' ' ARG . 14.9 p -102.66 138.61 26.26 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.215 0 N-CA-C 109.275 -0.639 . . . . 0.0 109.275 177.965 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 98' ' ' LYS . . . . . . . . . . . . . 72.7 mmtt -117.47 14.42 14.59 Favored 'General case' 0 CA--C 1.529 0.161 0 C-N-CA 123.098 0.559 . . . . 0.0 111.865 -175.526 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 99' ' ' ARG . . . . . 0.46 ' H ' HG22 ' A' ' 97' ' ' VAL . 83.4 mtt-85 -133.49 174.78 10.04 Favored 'General case' 0 N--CA 1.455 -0.178 0 C-N-CA 124.117 0.967 . . . . 0.0 111.044 -178.247 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 30.8 m -68.82 -10.87 59.26 Favored 'General case' 0 N--CA 1.453 -0.324 0 C-N-CA 123.662 0.785 . . . . 0.0 112.474 -179.08 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 101' ' ' ALA . . . . . . . . . . . . . . . 54.61 11.42 0.44 Allowed 'General case' 0 CA--C 1.534 0.349 0 C-N-CA 124.22 1.008 . . . . 0.0 112.967 -176.362 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -146.13 5.84 0.99 Allowed 'General case' 0 N--CA 1.454 -0.259 0 C-N-CA 123.615 0.766 . . . . 0.0 111.274 179.296 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 12.5 pt-20 -82.26 -2.17 51.72 Favored 'General case' 0 CA--C 1.53 0.183 0 C-N-CA 123.386 0.674 . . . . 0.0 112.014 -177.273 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 104' ' ' MET . . . . . . . . . . . . . 73.6 mtm -110.64 8.55 22.77 Favored 'General case' 0 C--O 1.231 0.125 0 C-N-CA 123.679 0.792 . . . . 0.0 111.68 -178.813 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 105' ' ' TYR . . . . . . . . . . . . . 38.1 m-85 -133.23 5.54 3.81 Favored 'General case' 0 CA--C 1.53 0.179 0 C-N-CA 122.743 0.417 . . . . 0.0 111.749 -177.879 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 106' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--N 1.335 0.517 0 N-CA-C 111.363 -0.695 . . . . 0.0 111.363 179.645 . . . . . . . . 0 0 . 1 . 014 nuclear build full ' B' B ' 1' ' ' ' U' . . . . . 0.457 " H2'" ' HA ' ' A' ' 94' ' ' LYS . . . . . . . . 0 O4'--C4' 1.424 -2.406 1 C5'-C4'-C3' 107.947 -5.035 . 0.0 '__' . 0.0 . . . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 2' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.421 -2.645 1 O4'-C1'-N19 112.852 4.652 . 0.0 OUTLIER '7D dist 4b' 0.0 . . . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 3' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.422 -2.616 0 C5'-C4'-C3' 111.647 -2.568 . 0.125 0b . 0.0 . . . . . . . . . . 0 0 . 1 . 014 nuclear build full ' B' B ' 4' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.422 -2.571 0 O4'-C1'-N19 112.123 3.923 . 0.182 4b . 0.0 . . . . . . . . . . 0 0 . 1 . 014 nuclear build full ' B' B ' 5' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.415 -3.134 0 O4'-C1'-N19 112.081 3.881 . 0.592 2h . 0.0 . . . . . . . . . . 0 0 . 1 . 015 nuclear build full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.474 0.775 0 CA-C-O 119.645 -0.217 . . . . 0.0 111.144 . . . . . . . . . 0 0 . 1 . 015 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 78.3 p -147.85 -6.18 0.45 Allowed 'General case' 0 N--CA 1.464 0.257 0 N-CA-C 112.514 0.561 . . . . 0.0 112.514 178.378 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 4' ' ' ASN . . . . . . . . . . . . . 64.8 t30 59.08 18.3 6.26 Favored 'General case' 0 CA--C 1.534 0.341 0 C-N-CA 124.213 1.005 . . . . 0.0 112.156 -175.133 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 91.7 t -131.96 134.95 59.35 Favored 'Isoleucine or valine' 0 C--N 1.34 0.194 0 C-N-CA 122.943 0.497 . . . . 0.0 110.09 -179.674 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 68.5 p -147.89 1.25 0.66 Allowed 'General case' 0 CA--C 1.528 0.12 0 N-CA-C 112.251 0.463 . . . . 0.0 112.251 -176.603 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 7' ' ' ASN . . . . . . . . . . . . . 63.1 t-20 -100.39 99.47 10.11 Favored 'General case' 0 N--CA 1.455 -0.197 0 O-C-N 121.41 -0.806 . . . . 0.0 110.886 -175.957 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 8' ' ' LYS . . . . . 0.458 ' HE3' ' HB3' ' A' ' 13' ' ' SER . 51.0 mtmt -144.26 151.96 40.14 Favored 'General case' 0 C--N 1.335 -0.056 0 C-N-CA 124.365 1.066 . . . . 0.0 109.36 176.939 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 62.4 p -124.88 16.73 8.62 Favored 'General case' 0 N--CA 1.462 0.154 0 C-N-CA 122.64 0.376 . . . . 0.0 111.783 -177.304 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 14.1 m-20 -68.97 157.41 89.19 Favored Pre-proline 0 CA--C 1.53 0.195 0 C-N-CA 122.801 0.44 . . . . 0.0 110.423 178.252 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 11' ' ' PRO . . . . . . . . . . . . . 91.4 Cg_exo -51.3 -33.28 44.78 Favored 'Trans proline' 0 N--CA 1.455 -0.748 0 C-N-CA 124.377 3.385 . . . . 0.0 113.954 -172.693 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 55.8 ttt180 -110.54 -33.75 6.5 Favored 'General case' 0 N--CA 1.451 -0.392 0 CA-C-N 116.421 -0.354 . . . . 0.0 111.064 -175.36 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 13' ' ' SER . . . . . 0.458 ' HB3' ' HE3' ' A' ' 8' ' ' LYS . 73.5 m -65.41 -27.21 68.38 Favored 'General case' 0 N--CA 1.457 -0.1 0 CA-C-N 118.318 0.508 . . . . 0.0 111.922 -179.487 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 14' ' ' MET . . . . . . . . . . . . . 15.5 ttm -84.74 -21.72 29.95 Favored 'General case' 0 CA--C 1.532 0.264 0 CA-C-N 118.364 0.529 . . . . 0.0 111.382 178.993 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 59.8 m-80 -97.43 -14.37 21.22 Favored 'General case' 0 CA--C 1.529 0.163 0 CA-C-N 118.221 0.464 . . . . 0.0 111.096 178.943 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 14.6 m -90.85 5.24 49.27 Favored 'General case' 0 N--CA 1.455 -0.191 0 C-N-CA 123.192 0.597 . . . . 0.0 111.114 172.718 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 29.9 ttp-105 -102.07 152.36 21.07 Favored 'General case' 0 C--N 1.341 0.218 0 C-N-CA 123.578 0.751 . . . . 0.0 110.036 179.545 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 79.3 t -128.76 132.74 67.37 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.243 0 C-N-CA 122.962 0.505 . . . . 0.0 109.761 177.449 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 29.8 t80 -94.78 136.17 35.4 Favored 'General case' 0 N--CA 1.452 -0.332 0 C-N-CA 124.001 0.92 . . . . 0.0 109.292 175.934 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 56.8 mt -123.26 85.98 1.0 Allowed 'Isoleucine or valine' 0 N--CA 1.455 -0.194 0 N-CA-C 108.054 -1.091 . . . . 0.0 108.054 -178.452 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -83.93 173.52 50.68 Favored Glycine 0 CA--C 1.525 0.709 0 N-CA-C 110.93 -0.868 . . . . 0.0 110.93 178.125 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 8.9 t30 50.55 42.52 26.81 Favored 'General case' 0 CA--C 1.531 0.225 0 C-N-CA 123.066 0.546 . . . . 0.0 111.097 179.199 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 53.6 tp -94.62 144.42 25.62 Favored 'General case' 0 CA--C 1.532 0.254 0 C-N-CA 123.509 0.724 . . . . 0.0 109.331 179.547 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 64.4 t30 -68.23 -36.97 80.32 Favored 'General case' 0 C--O 1.226 -0.148 0 C-N-CA 120.825 -0.35 . . . . 0.0 111.408 -178.052 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 44.5 p 51.08 8.71 0.04 OUTLIER 'General case' 0 N--CA 1.466 0.364 0 C-N-CA 126.386 1.874 . . . . 0.0 114.998 179.166 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 6.8 mp -103.82 -14.7 15.94 Favored 'General case' 0 C--O 1.23 0.064 0 C-N-CA 123.526 0.73 . . . . 0.0 111.17 176.961 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 58.3 t -127.51 -18.43 2.43 Favored 'Isoleucine or valine' 0 CA--C 1.529 0.171 0 C-N-CA 122.947 0.499 . . . . 0.0 110.54 178.467 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 65.4 t -109.1 143.05 20.03 Favored 'Isoleucine or valine' 0 CA--C 1.528 0.124 0 N-CA-C 109.71 -0.478 . . . . 0.0 109.71 177.706 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -135.81 173.29 11.88 Favored 'General case' 0 N--CA 1.457 -0.111 0 C-N-CA 123.332 0.653 . . . . 0.0 110.105 -177.869 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 3.9 ptmm? -65.59 -5.3 7.81 Favored 'General case' 0 CA--C 1.529 0.15 0 C-N-CA 124.041 0.936 . . . . 0.0 112.451 -179.426 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 54.0 p -97.68 -12.93 21.82 Favored 'General case' 0 CA--C 1.529 0.158 0 C-N-CA 123.654 0.782 . . . . 0.0 110.872 175.573 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 55.1 m-20 -100.89 -35.11 9.52 Favored 'General case' 0 N--CA 1.451 -0.402 0 C-N-CA 124.222 1.009 . . . . 0.0 111.03 178.603 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 71.4 t -63.07 -32.74 57.32 Favored 'Isoleucine or valine' 0 CA--C 1.528 0.097 0 N-CA-C 109.406 -0.59 . . . . 0.0 109.406 179.484 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 24.1 pt-20 -79.81 8.16 7.32 Favored 'General case' 0 CA--C 1.531 0.224 0 N-CA-C 111.979 0.363 . . . . 0.0 111.979 178.955 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -127.07 -7.55 5.98 Favored 'General case' 0 CA--C 1.53 0.193 0 C-N-CA 123.244 0.618 . . . . 0.0 111.426 177.159 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 74.9 mt -109.68 -27.47 2.89 Favored 'Isoleucine or valine' 0 C--O 1.226 -0.133 0 C-N-CA 123.173 0.589 . . . . 0.0 110.704 178.608 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 37' ' ' PHE . . . . . . . . . . . . . 67.5 m-85 -103.01 -9.13 20.05 Favored 'General case' 0 N--CA 1.453 -0.282 0 C-N-CA 122.497 0.319 . . . . 0.0 110.812 179.559 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 22.9 t -74.34 -11.34 60.23 Favored 'General case' 0 CA--C 1.528 0.127 0 CA-C-O 120.796 0.331 . . . . 0.0 111.096 -178.742 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 18.6 ptmt -83.47 -11.57 57.34 Favored 'General case' 0 C--N 1.339 0.151 0 C-N-CA 122.956 0.502 . . . . 0.0 111.942 179.416 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 40' ' ' TYR . . . . . . . . . . . . . 74.1 m-85 -105.17 -16.31 14.82 Favored 'General case' 0 C--O 1.231 0.119 0 C-N-CA 122.532 0.333 . . . . 0.0 111.275 178.267 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -176.37 161.0 29.01 Favored Glycine 0 C--N 1.334 0.445 0 N-CA-C 111.455 -0.658 . . . . 0.0 111.455 174.276 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 56.2 tttp -70.77 116.84 11.55 Favored 'General case' 0 N--CA 1.452 -0.326 0 N-CA-C 108.918 -0.771 . . . . 0.0 108.918 177.747 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 43' ' ' ILE . . . . . . . . . . . . . 74.5 mt -82.95 131.35 33.94 Favored 'Isoleucine or valine' 0 C--N 1.333 -0.141 0 N-CA-C 109.413 -0.588 . . . . 0.0 109.413 -178.941 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 30.6 m -114.32 -2.16 10.18 Favored 'Isoleucine or valine' 0 CA--C 1.523 -0.083 0 C-N-CA 123.899 0.879 . . . . 0.0 110.81 179.46 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . -171.62 148.16 10.77 Favored Glycine 0 CA--C 1.522 0.523 0 N-CA-C 110.131 -1.188 . . . . 0.0 110.131 177.235 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 46' ' ' CYS . . . . . . . . . . . . . 28.4 p -155.63 148.98 24.81 Favored 'General case' 0 N--CA 1.452 -0.366 0 N-CA-C 109.878 -0.416 . . . . 0.0 109.878 -178.704 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 32.8 t -158.78 139.35 12.56 Favored 'General case' 0 N--CA 1.453 -0.317 0 N-CA-C 109.285 -0.635 . . . . 0.0 109.285 176.83 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 48' ' ' VAL . . . . . . . . . . . . . 98.6 t -116.82 150.39 18.83 Favored 'Isoleucine or valine' 0 CA--C 1.519 -0.214 0 N-CA-C 109.13 -0.692 . . . . 0.0 109.13 176.653 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 49' ' ' HIS . . . . . . . . . . . . . 59.0 m-70 -135.8 -165.75 1.75 Allowed 'General case' 0 N--CA 1.45 -0.457 0 N-CA-C 108.113 -1.069 . . . . 0.0 108.113 -178.482 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 75.3 mmtt -89.37 119.33 29.74 Favored 'General case' 0 N--CA 1.455 -0.213 0 CA-C-N 118.379 0.536 . . . . 0.0 109.787 176.182 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 80.89 -10.27 47.97 Favored Glycine 0 CA--C 1.533 1.186 0 CA-C-O 119.44 -0.644 . . . . 0.0 113.775 178.354 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 49.4 p90 -151.44 168.28 25.35 Favored 'General case' 0 CA--C 1.528 0.109 0 CA-C-N 118.496 1.148 . . . . 0.0 111.56 178.879 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -149.26 171.78 15.94 Favored 'General case' 0 N--CA 1.453 -0.289 0 C-N-CA 123.795 0.838 . . . . 0.0 110.138 177.421 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 54' ' ' PHE . . . . . . . . . . . . . 22.8 m-85 -139.27 145.75 39.54 Favored 'General case' 0 N--CA 1.456 -0.127 0 C-N-CA 123.851 0.86 . . . . 0.0 110.602 179.548 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 95.9 t -136.55 140.73 42.78 Favored 'Isoleucine or valine' 0 C--O 1.226 -0.171 0 C-N-CA 123.917 0.887 . . . . 0.0 109.352 178.679 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 56' ' ' GLN . . . . . . . . . . . . . 66.6 tp60 -120.58 134.27 55.3 Favored 'General case' 0 N--CA 1.452 -0.375 0 N-CA-C 109.244 -0.65 . . . . 0.0 109.244 -177.898 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 57' ' ' TYR . . . . . . . . . . . . . 49.7 m-85 -115.03 174.38 6.01 Favored 'General case' 0 N--CA 1.455 -0.188 0 C-N-CA 123.142 0.577 . . . . 0.0 110.961 -179.453 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 58' ' ' VAL . . . . . . . . . . . . . 87.2 t -68.75 -31.85 52.51 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.214 0 CA-C-N 116.069 -0.514 . . . . 0.0 110.096 178.235 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 59' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -157.24 168.8 26.36 Favored 'General case' 0 C--O 1.233 0.191 0 N-CA-C 112.312 0.486 . . . . 0.0 112.312 176.846 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 81.1 tt0 -56.48 -31.81 64.39 Favored 'General case' 0 N--CA 1.455 -0.2 0 C-N-CA 124.107 0.963 . . . . 0.0 112.771 -179.352 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 25.7 tpt180 -58.52 -39.55 80.43 Favored 'General case' 0 C--N 1.338 0.094 0 CA-C-N 119.341 0.973 . . . . 0.0 109.969 179.919 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 62' ' ' ASN . . . . . . . . . . . . . 20.0 m120 -71.97 -24.53 61.61 Favored 'General case' 0 N--CA 1.45 -0.438 0 C-N-CA 121.134 -0.226 . . . . 0.0 110.761 -179.733 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -76.74 -37.92 55.12 Favored 'General case' 0 N--CA 1.454 -0.238 0 N-CA-C 110.264 -0.272 . . . . 0.0 110.264 178.409 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 64' ' ' ARG . . . . . . . . . . . . . 40.2 mmt180 -68.22 -25.76 65.37 Favored 'General case' 0 CA--C 1.522 -0.114 0 N-CA-C 110.385 -0.228 . . . . 0.0 110.385 178.054 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -80.33 -33.22 37.63 Favored 'General case' 0 N--CA 1.454 -0.234 0 CA-C-N 117.64 0.2 . . . . 0.0 110.857 -178.958 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -80.72 -35.23 33.75 Favored 'General case' 0 N--CA 1.454 -0.245 0 C-N-CA 121.236 -0.185 . . . . 0.0 111.257 178.935 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 67' ' ' VAL . . . . . . . . . . . . . 45.5 t -64.44 -35.12 73.45 Favored 'Isoleucine or valine' 0 N--CA 1.457 -0.089 0 N-CA-C 110.002 -0.37 . . . . 0.0 110.002 175.605 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -90.61 -10.02 44.87 Favored 'General case' 0 N--CA 1.455 -0.202 0 N-CA-C 112.104 0.409 . . . . 0.0 112.104 179.263 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . -102.87 -13.17 30.23 Favored Glycine 0 CA--C 1.531 1.081 0 CA-C-O 119.032 -0.871 . . . . 0.0 113.741 -177.534 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 42.6 mm-40 -133.46 -20.12 2.1 Favored 'General case' 0 CA--C 1.529 0.158 0 CA-C-N 118.992 1.396 . . . . 0.0 112.376 -173.401 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 24.4 t0 -62.06 116.28 4.8 Favored 'General case' 0 N--CA 1.454 -0.239 0 CA-C-N 118.991 0.814 . . . . 0.0 109.917 178.954 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . 88.92 9.83 67.48 Favored Glycine 0 CA--C 1.524 0.631 0 N-CA-C 111.167 -0.773 . . . . 0.0 111.167 179.862 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 73' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -75.62 169.88 17.25 Favored 'General case' 0 N--CA 1.45 -0.442 0 N-CA-C 106.766 -1.568 . . . . 0.0 106.766 172.05 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 74' ' ' MET . . . . . . . . . . . . . 31.1 ttm -114.81 121.61 43.8 Favored 'General case' 0 N--CA 1.451 -0.397 0 N-CA-C 109.168 -0.678 . . . . 0.0 109.168 -177.287 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 75' ' ' ILE . . . . . . . . . . . . . 0.2 OUTLIER -129.43 136.74 58.64 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.313 0 CA-C-N 116.14 -0.482 . . . . 0.0 109.9 179.525 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . 54.61 18.27 1.98 Allowed 'General case' 0 CA--C 1.533 0.295 0 C-N-CA 123.124 0.57 . . . . 0.0 112.047 -173.564 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 88.1 4.86 77.58 Favored Glycine 0 CA--C 1.528 0.865 0 CA-C-O 119.553 -0.582 . . . . 0.0 112.158 -178.815 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 78' ' ' GLN . . . . . . . . . . . . . 1.0 OUTLIER -125.61 134.59 51.86 Favored 'General case' 0 N--CA 1.451 -0.377 0 CA-C-N 117.889 0.845 . . . . 0.0 110.824 179.918 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 79' ' ' VAL . . . . . . . . . . . . . 59.6 t -61.78 141.36 17.75 Favored 'Isoleucine or valine' 0 N--CA 1.461 0.124 0 C-N-CA 124.781 1.232 . . . . 0.0 110.969 -179.054 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 29.6 mt -97.12 158.0 15.65 Favored 'General case' 0 N--CA 1.456 -0.136 0 CA-C-O 120.793 0.33 . . . . 0.0 111.355 175.444 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 81' ' ' ASP . . . . . . . . . . . . . 34.6 t70 -124.31 101.71 7.31 Favored 'General case' 0 N--CA 1.454 -0.243 0 N-CA-C 108.03 -1.1 . . . . 0.0 108.03 175.858 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 82' ' ' ILE . . . . . . . . . . . . . 61.3 mt -118.75 139.65 45.31 Favored 'Isoleucine or valine' 0 C--O 1.232 0.168 0 C-N-CA 122.84 0.456 . . . . 0.0 110.656 -170.392 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 83' ' ' ASN . . . . . . . . . . . . . 1.2 p-10 -159.3 166.89 30.26 Favored 'General case' 0 N--CA 1.456 -0.15 0 C-N-CA 123.362 0.665 . . . . 0.0 109.897 178.049 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 84' ' ' LEU . . . . . . . . . . . . . 4.8 tp -59.01 145.95 40.02 Favored 'General case' 0 N--CA 1.451 -0.405 0 N-CA-C 109.557 -0.535 . . . . 0.0 109.557 176.348 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . -68.52 0.12 4.42 Favored 'General case' 0 N--CA 1.455 -0.212 0 N-CA-C 113.071 0.767 . . . . 0.0 113.071 -176.53 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . -136.67 5.29 2.88 Favored 'General case' 0 N--CA 1.454 -0.243 0 CA-C-N 118.158 0.436 . . . . 0.0 111.768 179.735 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 95.1 mt-10 -141.4 68.64 26.33 Favored Pre-proline 0 C--O 1.233 0.229 0 N-CA-C 109.481 -0.562 . . . . 0.0 109.481 178.841 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 88' ' ' PRO . . . . . . . . . . . . . 48.5 Cg_endo -62.84 143.79 92.33 Favored 'Trans proline' 0 N--CA 1.448 -1.175 0 C-N-CA 123.01 2.473 . . . . 0.0 108.686 176.713 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 1.3 ptpp? -49.59 -62.86 1.32 Allowed 'General case' 0 CA--C 1.529 0.158 0 N-CA-C 113.502 0.927 . . . . 0.0 113.502 -169.542 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 90' ' ' VAL . . . . . . . . . . . . . 76.1 t -146.8 -43.43 0.11 Allowed 'Isoleucine or valine' 0 CA--C 1.523 -0.096 0 CA-C-N 117.889 0.313 . . . . 0.0 110.952 -179.003 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 91' ' ' ASN . . . . . . . . . . . . . 8.8 p30 -143.96 2.79 1.2 Allowed 'General case' 0 N--CA 1.456 -0.172 0 N-CA-C 113.61 0.967 . . . . 0.0 113.61 -172.425 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 92' ' ' ARG . . . . . . . . . . . . . 38.0 ttp-105 60.45 -66.84 0.05 OUTLIER 'General case' 0 CA--C 1.528 0.13 0 C-N-CA 124.941 1.296 . . . . 0.0 112.07 -170.236 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . 88.38 169.46 45.02 Favored Glycine 0 CA--C 1.523 0.561 0 C-N-CA 123.439 0.542 . . . . 0.0 111.779 179.096 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 55.6 mtmt -132.82 -2.63 3.28 Favored 'General case' 0 CA--C 1.53 0.199 0 C-N-CA 123.308 0.643 . . . . 0.0 111.543 -178.07 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . -151.96 95.94 2.15 Favored 'General case' 0 N--CA 1.45 -0.436 0 N-CA-C 109.829 -0.434 . . . . 0.0 109.829 -179.146 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . -83.55 -6.55 87.3 Favored Glycine 0 CA--C 1.526 0.733 0 N-CA-C 112.104 -0.399 . . . . 0.0 112.104 -179.188 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 97' ' ' VAL . . . . . . . . . . . . . 48.6 t -121.75 133.92 66.65 Favored 'Isoleucine or valine' 0 N--CA 1.456 -0.13 0 CA-C-N 117.422 0.611 . . . . 0.0 109.653 179.137 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 98' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -140.18 18.77 2.43 Favored 'General case' 0 N--CA 1.455 -0.222 0 C-N-CA 123.805 0.842 . . . . 0.0 111.843 -179.701 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 99' ' ' ARG . . . . . . . . . . . . . 3.0 mpt_? -109.7 173.16 6.45 Favored 'General case' 0 CA--C 1.522 -0.131 0 C-N-CA 123.994 0.918 . . . . 0.0 110.316 179.904 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 45.5 m -68.49 -11.19 59.48 Favored 'General case' 0 N--CA 1.453 -0.278 0 C-N-CA 123.387 0.675 . . . . 0.0 112.135 179.108 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 101' ' ' ALA . . . . . . . . . . . . . . . 52.69 13.41 0.33 Allowed 'General case' 0 CA--C 1.534 0.362 0 C-N-CA 124.316 1.046 . . . . 0.0 112.798 -175.317 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -148.13 7.24 0.8 Allowed 'General case' 0 CA--C 1.532 0.274 0 C-N-CA 123.943 0.897 . . . . 0.0 111.445 -179.742 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 13.0 pt-20 -90.05 -1.39 57.95 Favored 'General case' 0 CA--C 1.531 0.227 0 C-N-CA 123.172 0.589 . . . . 0.0 111.905 -176.732 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 104' ' ' MET . . . . . . . . . . . . . 25.3 ptp -127.19 9.69 6.77 Favored 'General case' 0 N--CA 1.455 -0.197 0 C-N-CA 123.315 0.646 . . . . 0.0 112.621 -175.123 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 105' ' ' TYR . . . . . . . . . . . . . 51.2 m-85 -122.09 -5.89 8.94 Favored 'General case' 0 C--N 1.333 -0.121 0 C-N-CA 122.741 0.416 . . . . 0.0 111.739 179.226 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 106' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--N 1.337 0.639 0 N-CA-C 111.809 -0.517 . . . . 0.0 111.809 179.339 . . . . . . . . 0 0 . 1 . 015 nuclear build full ' B' B ' 1' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.419 -2.83 0 O4'-C1'-N19 111.388 3.188 . 0.0 '__' . 0.0 . . . . . . . . . . 0 0 . 1 . 015 nuclear build full ' B' B ' 2' ' ' ' U' . . . . . 0.423 " H4'" " H5'" ' B' ' 3' ' ' ' U' . . . . . . . . 0 O4'--C4' 1.423 -2.5 1 O4'-C1'-N19 112.596 4.396 . 0.032 4b . 0.0 . . . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 3' ' ' ' U' . . . . . 0.423 " H5'" " H4'" ' B' ' 2' ' ' ' U' . . . . . . . . 0 O4'--C4' 1.418 -2.922 0 C5'-C4'-C3' 111.263 -2.825 . 0.146 0b . 0.0 . . . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 4' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.425 -2.34 1 O4'-C1'-N19 113.331 5.131 . 0.216 4b . 0.0 . . . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 5' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.422 -2.564 0 C5'-C4'-C3' 112.427 -2.049 . 0.055 6d . 0.0 . . . . . . . . . . 0 0 . 1 . 016 nuclear build full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.475 0.823 0 CA-C-O 120.555 0.216 . . . . 0.0 110.638 . . . . . . . . . 0 0 . 1 . 016 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 97.7 p -80.19 167.68 20.03 Favored 'General case' 0 N--CA 1.456 -0.158 0 C-N-CA 122.897 0.479 . . . . 0.0 110.996 178.153 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 4' ' ' ASN . . . . . . . . . . . . . 89.9 m-20 -84.58 -1.05 55.35 Favored 'General case' 0 CA--C 1.531 0.218 0 C-N-CA 122.473 0.309 . . . . 0.0 110.872 176.786 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 97.7 t -95.27 132.57 38.94 Favored 'Isoleucine or valine' 0 CA--C 1.521 -0.147 0 C-N-CA 122.861 0.464 . . . . 0.0 111.19 -174.752 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 74.6 p -147.86 12.32 0.99 Allowed 'General case' 0 C--O 1.226 -0.136 0 C-N-CA 123.554 0.742 . . . . 0.0 111.232 -178.259 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 7' ' ' ASN . . . . . . . . . . . . . 45.1 t30 -109.88 33.15 4.57 Favored 'General case' 0 CA--C 1.532 0.273 0 CA-C-N 118.718 0.69 . . . . 0.0 112.502 -174.654 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 56.6 mtmt -73.97 140.74 45.74 Favored 'General case' 0 N--CA 1.456 -0.132 0 N-CA-C 109.205 -0.665 . . . . 0.0 109.205 175.916 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 69.5 p -117.34 14.02 14.64 Favored 'General case' 0 C--N 1.331 -0.23 0 C-N-CA 123.216 0.606 . . . . 0.0 112.542 -172.76 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 10.6 m-20 -67.28 156.78 87.38 Favored Pre-proline 0 N--CA 1.456 -0.174 0 O-C-N 122.175 -0.328 . . . . 0.0 111.193 -179.741 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 11' ' ' PRO . . . . . . . . . . . . . 34.8 Cg_exo -60.52 -5.18 4.0 Favored 'Trans proline' 0 N--CA 1.456 -0.713 0 C-N-CA 124.466 3.444 . . . . 0.0 114.433 -173.364 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -133.46 -28.56 1.45 Allowed 'General case' 0 N--CA 1.457 -0.09 0 C-N-CA 122.852 0.461 . . . . 0.0 110.722 178.961 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 34.7 m -74.75 -19.04 60.39 Favored 'General case' 0 N--CA 1.454 -0.27 0 CA-C-O 119.512 -0.28 . . . . 0.0 111.548 -178.216 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 14' ' ' MET . . . . . . . . . . . . . 14.6 ptm -92.57 -3.17 55.48 Favored 'General case' 0 N--CA 1.454 -0.233 0 CA-C-N 118.48 0.582 . . . . 0.0 112.046 174.37 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 39.1 m-80 -102.26 -21.92 14.25 Favored 'General case' 0 N--CA 1.453 -0.29 0 C-N-CA 122.543 0.337 . . . . 0.0 110.177 176.143 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 77.5 p -84.26 6.22 23.67 Favored 'General case' 0 N--CA 1.455 -0.219 0 C-N-CA 123.043 0.537 . . . . 0.0 111.005 172.67 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 28.3 ttp-105 -101.42 153.56 19.57 Favored 'General case' 0 N--CA 1.456 -0.164 0 C-N-CA 123.52 0.728 . . . . 0.0 110.217 177.773 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 61.5 t -127.56 130.79 70.52 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.405 0 C-N-CA 123.189 0.596 . . . . 0.0 109.828 177.669 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 18.4 t80 -90.1 131.59 35.88 Favored 'General case' 0 N--CA 1.452 -0.349 0 C-N-CA 124.372 1.069 . . . . 0.0 109.145 175.559 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 57.1 mt -121.8 84.77 0.88 Allowed 'Isoleucine or valine' 0 CA--C 1.521 -0.143 0 N-CA-C 108.053 -1.092 . . . . 0.0 108.053 -179.965 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -86.65 175.36 47.18 Favored Glycine 0 CA--C 1.522 0.512 0 N-CA-C 111.308 -0.717 . . . . 0.0 111.308 178.365 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 6.6 t30 51.0 42.99 29.1 Favored 'General case' 0 CA--C 1.533 0.308 0 C-N-CA 123.095 0.558 . . . . 0.0 110.706 179.908 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 59.5 tp -97.56 146.72 24.99 Favored 'General case' 0 N--CA 1.455 -0.187 0 C-N-CA 123.731 0.812 . . . . 0.0 109.317 -179.459 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 63.7 t30 -68.86 -37.17 78.91 Favored 'General case' 0 CA--C 1.529 0.166 0 O-C-N 122.292 -0.255 . . . . 0.0 111.199 -177.972 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 63.0 p 51.17 9.13 0.05 Allowed 'General case' 0 N--CA 1.466 0.373 0 C-N-CA 126.335 1.854 . . . . 0.0 114.956 179.112 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 6.7 mp -102.44 -14.8 16.71 Favored 'General case' 0 CA--C 1.53 0.186 0 C-N-CA 123.707 0.803 . . . . 0.0 111.319 176.494 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 60.9 t -128.9 -21.66 1.54 Allowed 'Isoleucine or valine' 0 CA--C 1.528 0.115 0 C-N-CA 122.761 0.425 . . . . 0.0 110.479 178.977 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 90.5 t -101.89 136.76 32.39 Favored 'Isoleucine or valine' 0 C--N 1.34 0.17 0 N-CA-C 110.078 -0.341 . . . . 0.0 110.078 177.506 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 3.6 mppt? -130.32 172.04 12.28 Favored 'General case' 0 N--CA 1.456 -0.157 0 C-N-CA 124.255 1.022 . . . . 0.0 109.059 -179.363 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 6.0 ptmm? -64.89 -8.0 13.67 Favored 'General case' 0 CA--C 1.529 0.135 0 C-N-CA 123.529 0.732 . . . . 0.0 111.99 -179.804 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 31.9 m -96.06 -2.94 45.7 Favored 'General case' 0 CA--C 1.529 0.139 0 C-N-CA 123.213 0.605 . . . . 0.0 110.653 176.31 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 42.1 m-20 -110.64 -36.39 5.74 Favored 'General case' 0 N--CA 1.451 -0.411 0 C-N-CA 124.19 0.996 . . . . 0.0 109.682 178.552 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 92.9 t -62.19 -31.63 52.11 Favored 'Isoleucine or valine' 0 N--CA 1.456 -0.163 0 N-CA-C 109.757 -0.46 . . . . 0.0 109.757 178.083 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 23.5 pt-20 -79.33 4.97 13.65 Favored 'General case' 0 CA--C 1.531 0.238 0 N-CA-C 112.125 0.417 . . . . 0.0 112.125 178.744 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -124.87 -7.03 7.28 Favored 'General case' 0 N--CA 1.455 -0.19 0 C-N-CA 123.183 0.593 . . . . 0.0 111.054 177.22 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 76.5 mt -111.42 -27.91 2.71 Favored 'Isoleucine or valine' 0 N--CA 1.457 -0.091 0 C-N-CA 122.954 0.502 . . . . 0.0 110.989 179.338 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 37' ' ' PHE . . . . . . . . . . . . . 71.0 m-85 -104.87 -6.26 20.36 Favored 'General case' 0 N--CA 1.451 -0.409 0 C-N-CA 122.619 0.367 . . . . 0.0 111.202 179.215 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 23.8 t -77.24 -10.44 59.42 Favored 'General case' 0 CA--C 1.531 0.216 0 O-C-N 122.184 -0.322 . . . . 0.0 111.007 -179.869 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 13.5 ptmm? -84.09 -11.5 56.57 Favored 'General case' 0 CA--C 1.527 0.096 0 C-N-CA 122.979 0.512 . . . . 0.0 112.305 178.914 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 40' ' ' TYR . . . . . . . . . . . . . 64.0 m-85 -107.18 -15.56 14.63 Favored 'General case' 0 C--O 1.233 0.236 0 C-N-CA 122.409 0.284 . . . . 0.0 111.302 178.383 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -173.92 164.26 35.58 Favored Glycine 0 CA--C 1.523 0.534 0 N-CA-C 112.045 -0.422 . . . . 0.0 112.045 175.156 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 78.3 tttt -75.73 113.26 12.99 Favored 'General case' 0 N--CA 1.452 -0.332 0 N-CA-C 109.11 -0.7 . . . . 0.0 109.11 177.922 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 43' ' ' ILE . . . . . . . . . . . . . 73.7 mt -82.59 127.26 39.82 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.295 0 N-CA-C 109.722 -0.473 . . . . 0.0 109.722 -178.445 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 34.6 m -107.76 -12.04 10.58 Favored 'Isoleucine or valine' 0 C--O 1.23 0.045 0 C-N-CA 123.179 0.592 . . . . 0.0 110.523 179.546 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . -164.08 147.72 13.35 Favored Glycine 0 CA--C 1.523 0.561 0 N-CA-C 110.094 -1.203 . . . . 0.0 110.094 179.043 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 46' ' ' CYS . . . . . . . . . . . . . 31.9 p -153.6 149.05 27.2 Favored 'General case' 0 N--CA 1.452 -0.372 0 CA-C-N 116.959 0.379 . . . . 0.0 110.402 179.742 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 32.6 t -156.61 135.46 11.77 Favored 'General case' 0 N--CA 1.452 -0.374 0 N-CA-C 110.107 -0.331 . . . . 0.0 110.107 177.201 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 48' ' ' VAL . . . . . . . . . . . . . 80.1 t -110.78 148.01 14.47 Favored 'Isoleucine or valine' 0 N--CA 1.456 -0.174 0 N-CA-C 109.573 -0.529 . . . . 0.0 109.573 176.116 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 49' ' ' HIS . . . . . . . . . . . . . 54.9 m-70 -132.44 -164.83 1.51 Allowed 'General case' 0 N--CA 1.453 -0.279 0 N-CA-C 108.004 -1.11 . . . . 0.0 108.004 -178.103 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 75.4 mmtt -92.63 118.86 31.48 Favored 'General case' 0 N--CA 1.457 -0.123 0 N-CA-C 109.64 -0.504 . . . . 0.0 109.64 176.513 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 81.11 -8.85 56.6 Favored Glycine 0 CA--C 1.529 0.948 0 C-N-CA 123.681 0.658 . . . . 0.0 113.525 179.3 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 45.8 p90 -153.06 168.51 25.65 Favored 'General case' 0 C--N 1.339 0.136 0 CA-C-N 118.521 1.16 . . . . 0.0 111.556 178.252 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -147.69 171.84 15.01 Favored 'General case' 0 CA--C 1.53 0.21 0 C-N-CA 124.031 0.932 . . . . 0.0 110.032 176.748 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 54' ' ' PHE . . . . . . . . . . . . . 10.6 m-85 -139.57 145.25 38.38 Favored 'General case' 0 N--CA 1.453 -0.303 0 C-N-CA 123.89 0.876 . . . . 0.0 110.405 179.729 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 87.5 t -135.88 137.5 48.88 Favored 'Isoleucine or valine' 0 CA--C 1.517 -0.326 0 C-N-CA 123.592 0.757 . . . . 0.0 109.148 178.737 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 56' ' ' GLN . . . . . . . . . . . . . 63.0 tp60 -117.09 128.7 55.4 Favored 'General case' 0 N--CA 1.451 -0.394 0 N-CA-C 109.443 -0.576 . . . . 0.0 109.443 -176.907 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 57' ' ' TYR . . . . . . . . . . . . . 41.9 m-85 -110.85 177.2 4.74 Favored 'General case' 0 N--CA 1.455 -0.209 0 C-N-CA 123.533 0.733 . . . . 0.0 110.671 179.721 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 58' ' ' VAL . . . . . . . . . . . . . 53.3 t -73.33 -31.72 34.87 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.275 0 CA-C-N 116.367 -0.379 . . . . 0.0 110.561 178.188 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 59' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -153.64 168.58 25.74 Favored 'General case' 0 N--CA 1.453 -0.318 0 CA-C-O 121.395 0.616 . . . . 0.0 112.647 179.105 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 74.2 tt0 -59.83 -28.84 67.82 Favored 'General case' 0 CA--C 1.529 0.151 0 C-N-CA 124.354 1.061 . . . . 0.0 112.377 -177.415 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 26.3 tpt180 -63.03 -39.76 95.71 Favored 'General case' 0 C--N 1.339 0.11 0 CA-C-N 118.538 0.608 . . . . 0.0 110.159 179.217 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 62' ' ' ASN . . . . . . . . . . . . . 19.8 m120 -69.69 -27.13 64.75 Favored 'General case' 0 N--CA 1.451 -0.409 0 C-N-CA 120.648 -0.421 . . . . 0.0 110.762 -179.56 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -71.44 -40.58 70.29 Favored 'General case' 0 N--CA 1.453 -0.321 0 N-CA-C 110.164 -0.309 . . . . 0.0 110.164 178.628 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 64' ' ' ARG . . . . . . . . . . . . . 93.4 mtt-85 -72.75 -21.25 61.05 Favored 'General case' 0 CA--C 1.523 -0.087 0 C-N-CA 121.193 -0.203 . . . . 0.0 111.357 -178.118 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -78.88 -32.46 45.86 Favored 'General case' 0 N--CA 1.452 -0.331 0 N-CA-C 110.242 -0.281 . . . . 0.0 110.242 177.924 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -83.33 -33.73 25.83 Favored 'General case' 0 N--CA 1.454 -0.265 0 O-C-N 122.356 -0.215 . . . . 0.0 110.95 178.52 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 67' ' ' VAL . . . . . . . . . . . . . 49.0 t -65.39 -30.9 51.64 Favored 'Isoleucine or valine' 0 C--O 1.227 -0.104 0 N-CA-C 110.216 -0.29 . . . . 0.0 110.216 175.127 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -95.3 -10.73 29.37 Favored 'General case' 0 CA--C 1.53 0.202 0 N-CA-C 112.049 0.389 . . . . 0.0 112.049 177.934 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . -101.08 -13.56 33.4 Favored Glycine 0 CA--C 1.53 0.994 0 CA-C-O 119.208 -0.773 . . . . 0.0 113.814 -177.012 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 46.2 mm-40 -134.05 -19.07 2.02 Favored 'General case' 0 N--CA 1.463 0.185 0 CA-C-N 118.455 1.127 . . . . 0.0 112.545 -173.948 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 21.3 t70 -61.44 117.57 5.86 Favored 'General case' 0 C--O 1.233 0.193 0 O-C-N 121.193 -0.942 . . . . 0.0 110.336 178.628 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . 88.38 9.01 70.27 Favored Glycine 0 C--N 1.337 0.585 0 N-CA-C 111.11 -0.796 . . . . 0.0 111.11 179.283 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 73' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -75.36 169.75 17.44 Favored 'General case' 0 N--CA 1.45 -0.425 0 N-CA-C 106.457 -1.683 . . . . 0.0 106.457 172.229 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 74' ' ' MET . . . . . . . . . . . . . 31.4 ttm -114.94 121.97 44.83 Favored 'General case' 0 N--CA 1.448 -0.528 0 N-CA-C 109.388 -0.597 . . . . 0.0 109.388 -177.718 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 75' ' ' ILE . . . . . . . . . . . . . 0.2 OUTLIER -129.48 136.79 58.49 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.299 0 CA-C-N 115.982 -0.554 . . . . 0.0 109.934 179.956 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . 54.5 18.41 1.96 Allowed 'General case' 0 CA--C 1.53 0.192 0 C-N-CA 123.037 0.535 . . . . 0.0 112.081 -173.496 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 88.4 4.54 76.9 Favored Glycine 0 CA--C 1.525 0.658 0 CA-C-O 119.583 -0.565 . . . . 0.0 112.202 -178.858 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 78' ' ' GLN . . . . . . . . . . . . . 1.0 OUTLIER -125.46 135.07 51.94 Favored 'General case' 0 N--CA 1.451 -0.417 0 CA-C-N 117.923 0.862 . . . . 0.0 110.751 -179.712 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 79' ' ' VAL . . . . . . . . . . . . . 70.2 t -63.09 140.99 18.72 Favored 'Isoleucine or valine' 0 C--O 1.227 -0.117 0 C-N-CA 124.832 1.253 . . . . 0.0 111.099 -179.054 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 28.6 mt -96.54 157.33 15.95 Favored 'General case' 0 CA--C 1.527 0.094 0 CA-C-O 120.798 0.332 . . . . 0.0 111.437 175.762 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 81' ' ' ASP . . . . . . . . . . . . . 30.0 t70 -125.74 101.42 6.86 Favored 'General case' 0 N--CA 1.451 -0.388 0 N-CA-C 107.491 -1.3 . . . . 0.0 107.491 175.226 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 82' ' ' ILE . . . . . . . . . . . . . 63.3 mt -114.41 140.07 37.12 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.236 0 C-N-CA 123.238 0.615 . . . . 0.0 109.733 -169.906 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 83' ' ' ASN . . . . . . . . . . . . . 2.1 t30 -151.51 154.21 36.07 Favored 'General case' 0 N--CA 1.453 -0.278 0 C-N-CA 122.105 0.162 . . . . 0.0 111.037 -173.784 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 84' ' ' LEU . . . . . . . . . . . . . 1.4 tm? -60.32 129.85 43.7 Favored 'General case' 0 CA--C 1.531 0.241 0 N-CA-C 108.417 -0.957 . . . . 0.0 108.417 172.872 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . -66.87 0.71 2.28 Favored 'General case' 0 CA--C 1.533 0.294 0 N-CA-C 114.328 1.233 . . . . 0.0 114.328 -171.845 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . -130.52 4.05 4.64 Favored 'General case' 0 CA--C 1.529 0.149 0 CA-C-N 118.749 0.704 . . . . 0.0 112.135 -177.585 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 57.3 mt-10 -140.35 63.6 22.86 Favored Pre-proline 0 CA--C 1.529 0.161 0 N-CA-C 109.952 -0.388 . . . . 0.0 109.952 179.399 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 88' ' ' PRO . . . . . . . . . . . . . 31.2 Cg_endo -57.44 146.61 82.53 Favored 'Trans proline' 0 N--CA 1.455 -0.788 0 C-N-CA 123.415 2.744 . . . . 0.0 109.98 -178.977 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 12.7 ptpt -61.0 -78.49 0.03 OUTLIER 'General case' 0 CA--C 1.529 0.16 0 C-N-CA 123.255 0.622 . . . . 0.0 112.389 -171.977 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 90' ' ' VAL . . . . . . . . . . . . . 46.2 t -145.8 -44.05 0.12 Allowed 'Isoleucine or valine' 0 C--N 1.339 0.122 0 N-CA-C 112.583 0.586 . . . . 0.0 112.583 -179.542 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 91' ' ' ASN . . . . . 0.438 ' C ' ' H ' ' A' ' 93' ' ' GLY . 44.8 m-80 -130.21 1.36 4.67 Favored 'General case' 0 C--N 1.339 0.139 0 N-CA-C 113.046 0.758 . . . . 0.0 113.046 -173.697 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 92' ' ' ARG . . . . . . . . . . . . . 29.8 ttm180 62.25 -32.85 0.1 Allowed 'General case' 0 CA--C 1.534 0.34 0 C-N-CA 125.365 1.466 . . . . 0.0 113.111 -171.049 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 93' ' ' GLY . . . . . 0.438 ' H ' ' C ' ' A' ' 91' ' ' ASN . . . 76.52 175.13 40.04 Favored Glycine 0 CA--C 1.526 0.743 0 N-CA-C 111.411 -0.676 . . . . 0.0 111.411 -178.679 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 27.9 ttpp -144.81 -31.41 0.43 Allowed 'General case' 0 N--CA 1.454 -0.227 0 C-N-CA 122.651 0.381 . . . . 0.0 111.577 179.084 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . -158.3 159.82 36.35 Favored 'General case' 0 N--CA 1.451 -0.386 0 C-N-CA 122.76 0.424 . . . . 0.0 110.431 179.781 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . -79.16 -7.7 88.3 Favored Glycine 0 CA--C 1.527 0.842 0 N-CA-C 111.415 -0.674 . . . . 0.0 111.415 175.598 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 97' ' ' VAL . . . . . 0.422 HG12 ' H ' ' A' ' 99' ' ' ARG . 60.5 t -86.85 139.5 17.24 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.295 0 N-CA-C 109.504 -0.554 . . . . 0.0 109.504 179.445 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 98' ' ' LYS . . . . . . . . . . . . . 35.3 mmtp -122.19 21.32 10.46 Favored 'General case' 0 CA--C 1.529 0.153 0 C-N-CA 123.627 0.771 . . . . 0.0 111.806 -175.626 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 99' ' ' ARG . . . . . 0.422 ' H ' HG12 ' A' ' 97' ' ' VAL . 32.7 ptt180 -129.01 173.89 10.03 Favored 'General case' 0 N--CA 1.458 -0.068 0 C-N-CA 124.022 0.929 . . . . 0.0 111.44 -179.286 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 75.2 m -61.72 -16.23 47.45 Favored 'General case' 0 N--CA 1.454 -0.247 0 C-N-CA 123.784 0.834 . . . . 0.0 111.576 176.864 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 101' ' ' ALA . . . . . . . . . . . . . . . 54.17 14.37 0.73 Allowed 'General case' 0 CA--C 1.537 0.475 0 C-N-CA 124.904 1.281 . . . . 0.0 112.354 -176.632 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -142.29 12.05 1.96 Allowed 'General case' 0 N--CA 1.453 -0.307 0 C-N-CA 123.92 0.888 . . . . 0.0 110.357 -179.864 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 20.4 pt-20 -67.89 -8.09 33.69 Favored 'General case' 0 CA--C 1.529 0.157 0 C-N-CA 123.1 0.56 . . . . 0.0 112.025 -177.25 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 104' ' ' MET . . . . . . . . . . . . . 70.6 mtm -103.18 0.84 32.32 Favored 'General case' 0 N--CA 1.453 -0.289 0 C-N-CA 123.564 0.746 . . . . 0.0 111.417 -178.643 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 105' ' ' TYR . . . . . . . . . . . . . 37.2 m-85 -133.24 1.67 3.51 Favored 'General case' 0 C--O 1.233 0.185 0 C-N-CA 122.726 0.41 . . . . 0.0 111.942 -176.677 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 106' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.526 0.735 0 N-CA-C 111.343 -0.703 . . . . 0.0 111.343 179.931 . . . . . . . . 0 0 . 1 . 016 nuclear build full ' B' B ' 1' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.422 -2.57 0 O4'-C1'-N19 111.585 3.385 . 0.0 '__' . 0.0 . . . . . . . . . . 0 0 . 1 . 016 nuclear build full ' B' B ' 2' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.421 -2.692 1 O4'-C1'-N19 112.479 4.279 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 3' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.418 -2.937 0 O4'-C1'-N19 110.975 2.775 . 0.408 0b . 0.0 . . . . . . . . . . 0 0 . 1 . 016 nuclear build full ' B' B ' 4' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.423 -2.52 1 O4'-C1'-N19 112.421 4.221 . 0.181 4b . 0.0 . . . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 5' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.423 -2.465 1 O4'-C1'-N19 113.476 5.276 . 0.719 2u . 0.0 . . . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.474 0.763 0 CA-C-O 119.572 -0.251 . . . . 0.0 111.058 . . . . . . . . . 0 0 . 1 . 017 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 55.9 m -145.36 -1.09 0.83 Allowed 'General case' 0 CA--C 1.533 0.317 0 N-CA-C 112.441 0.534 . . . . 0.0 112.441 -179.28 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 4' ' ' ASN . . . . . . . . . . . . . 52.3 t30 55.57 27.75 10.86 Favored 'General case' 0 CA--C 1.532 0.283 0 C-N-CA 124.094 0.958 . . . . 0.0 112.648 -178.827 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 87.5 t -136.57 135.35 49.05 Favored 'Isoleucine or valine' 0 C--N 1.338 0.091 0 N-CA-C 109.656 -0.498 . . . . 0.0 109.656 179.352 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 74.0 p -147.6 5.45 0.8 Allowed 'General case' 0 C--N 1.339 0.11 0 N-CA-C 112.274 0.472 . . . . 0.0 112.274 -177.847 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 7' ' ' ASN . . . . . . . . . . . . . 60.2 t-20 -107.0 97.84 7.57 Favored 'General case' 0 N--CA 1.454 -0.228 0 CA-C-N 119.012 0.824 . . . . 0.0 111.512 -176.185 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 57.8 mtmt -142.47 147.97 36.94 Favored 'General case' 0 N--CA 1.457 -0.123 0 C-N-CA 124.725 1.21 . . . . 0.0 108.514 175.25 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 77.6 p -119.58 15.51 12.83 Favored 'General case' 0 C--N 1.334 -0.082 0 N-CA-C 112.309 0.485 . . . . 0.0 112.309 -173.309 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 13.4 m-20 -64.94 151.81 92.38 Favored Pre-proline 0 CA--C 1.533 0.293 0 N-CA-C 109.978 -0.378 . . . . 0.0 109.978 178.373 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 11' ' ' PRO . . . . . . . . . . . . . 73.1 Cg_endo -67.1 1.98 2.51 Favored 'Trans proline' 0 N--CA 1.455 -0.768 0 C-N-CA 124.248 3.298 . . . . 0.0 113.087 -174.396 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -131.88 -30.65 1.58 Allowed 'General case' 0 CA--C 1.526 0.056 0 C-N-CA 122.655 0.382 . . . . 0.0 110.583 177.11 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 19.6 m -78.63 -20.38 50.49 Favored 'General case' 0 N--CA 1.455 -0.22 0 CA-C-O 119.275 -0.393 . . . . 0.0 111.889 -177.887 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 14' ' ' MET . . . . . . . . . . . . . 12.6 ptm -92.46 -4.53 53.52 Favored 'General case' 0 N--CA 1.455 -0.178 0 CA-C-N 118.915 0.78 . . . . 0.0 111.564 175.239 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 69.9 m-80 -100.15 -21.39 15.56 Favored 'General case' 0 N--CA 1.454 -0.265 0 C-N-CA 122.786 0.434 . . . . 0.0 110.193 175.251 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 78.3 p -85.62 6.11 28.85 Favored 'General case' 0 N--CA 1.454 -0.251 0 C-N-CA 122.873 0.469 . . . . 0.0 111.305 171.841 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 29.9 ttp-105 -102.67 152.99 20.56 Favored 'General case' 0 N--CA 1.456 -0.131 0 C-N-CA 123.335 0.654 . . . . 0.0 109.915 177.797 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 65.5 t -126.95 131.24 71.15 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.387 0 C-N-CA 123.017 0.527 . . . . 0.0 109.809 178.354 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 30.2 t80 -90.59 134.14 34.6 Favored 'General case' 0 N--CA 1.45 -0.432 0 CA-C-N 115.495 -0.775 . . . . 0.0 109.27 174.862 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 65.1 mt -121.05 85.92 0.97 Allowed 'Isoleucine or valine' 0 N--CA 1.456 -0.166 0 N-CA-C 107.923 -1.139 . . . . 0.0 107.923 -179.767 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -84.46 173.27 49.58 Favored Glycine 0 CA--C 1.523 0.592 0 N-CA-C 111.194 -0.763 . . . . 0.0 111.194 178.387 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 57.3 t30 48.23 48.23 18.86 Favored 'General case' 0 N--CA 1.455 -0.214 0 C-N-CA 123.489 0.716 . . . . 0.0 110.728 -178.437 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 52.2 tp -97.19 144.31 27.14 Favored 'General case' 0 N--CA 1.456 -0.16 0 C-N-CA 123.006 0.522 . . . . 0.0 109.635 179.175 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 63.4 t30 -68.12 -39.11 82.83 Favored 'General case' 0 C--N 1.34 0.16 0 C-N-CA 120.966 -0.294 . . . . 0.0 111.266 -178.473 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 35.5 p 54.63 3.24 0.05 OUTLIER 'General case' 0 N--CA 1.465 0.302 0 C-N-CA 126.28 1.832 . . . . 0.0 115.103 178.655 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 8.1 mp -95.74 -15.63 22.48 Favored 'General case' 0 N--CA 1.454 -0.225 0 C-N-CA 123.311 0.644 . . . . 0.0 111.503 176.284 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 60.1 t -128.15 -22.82 1.56 Allowed 'Isoleucine or valine' 0 N--CA 1.461 0.118 0 C-N-CA 122.815 0.446 . . . . 0.0 110.77 178.94 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 71.0 t -102.54 136.13 36.38 Favored 'Isoleucine or valine' 0 CA--C 1.522 -0.115 0 N-CA-C 109.97 -0.382 . . . . 0.0 109.97 178.396 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 3.6 mppt? -129.82 172.49 11.61 Favored 'General case' 0 N--CA 1.456 -0.148 0 C-N-CA 124.085 0.954 . . . . 0.0 109.413 -179.189 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 11.0 ptmt -66.25 -4.8 8.5 Favored 'General case' 0 C--N 1.333 -0.148 0 C-N-CA 123.696 0.798 . . . . 0.0 112.197 179.664 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 34.2 m -97.89 -0.97 44.01 Favored 'General case' 0 CA--C 1.53 0.2 0 C-N-CA 123.596 0.758 . . . . 0.0 110.732 174.451 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 38.5 m-20 -115.17 -34.63 4.95 Favored 'General case' 0 N--CA 1.453 -0.277 0 C-N-CA 124.015 0.926 . . . . 0.0 110.421 -179.573 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 94.0 t -65.33 -30.48 50.36 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.227 0 N-CA-C 108.917 -0.771 . . . . 0.0 108.917 179.844 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 25.7 pt-20 -80.21 7.06 10.15 Favored 'General case' 0 CA--C 1.531 0.226 0 C-N-CA 122.638 0.375 . . . . 0.0 111.927 178.623 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -125.48 -8.13 6.9 Favored 'General case' 0 CA--C 1.531 0.22 0 C-N-CA 123.222 0.609 . . . . 0.0 110.886 176.664 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 70.5 mt -109.57 -27.83 2.82 Favored 'Isoleucine or valine' 0 C--N 1.34 0.18 0 C-N-CA 123.141 0.577 . . . . 0.0 110.832 178.43 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 37' ' ' PHE . . . . . . . . . . . . . 64.2 m-85 -103.79 -5.48 22.4 Favored 'General case' 0 N--CA 1.455 -0.195 0 C-N-CA 122.587 0.355 . . . . 0.0 111.063 179.747 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 70.0 p -75.47 -14.83 60.45 Favored 'General case' 0 N--CA 1.457 -0.105 0 C-N-CA 122.51 0.324 . . . . 0.0 111.638 -179.985 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 18.6 ptmt -82.35 -11.28 58.68 Favored 'General case' 0 N--CA 1.457 -0.109 0 C-N-CA 123.198 0.599 . . . . 0.0 112.313 179.252 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 40' ' ' TYR . . . . . . . . . . . . . 74.5 m-85 -106.46 -14.55 15.04 Favored 'General case' 0 C--N 1.34 0.172 0 C-N-CA 122.524 0.33 . . . . 0.0 111.292 178.172 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -176.08 162.77 31.88 Favored Glycine 0 CA--C 1.523 0.584 0 N-CA-C 112.43 -0.268 . . . . 0.0 112.43 174.702 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 78.1 tttt -74.76 114.15 12.86 Favored 'General case' 0 N--CA 1.451 -0.381 0 N-CA-C 109.013 -0.736 . . . . 0.0 109.013 177.998 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 43' ' ' ILE . . . . . . . . . . . . . 77.8 mt -82.89 129.59 37.17 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.211 0 N-CA-C 109.848 -0.427 . . . . 0.0 109.848 -177.861 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 33.8 m -114.8 3.9 7.79 Favored 'Isoleucine or valine' 0 C--O 1.231 0.084 0 C-N-CA 123.902 0.881 . . . . 0.0 110.702 179.5 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . -178.72 145.42 6.78 Favored Glycine 0 C--N 1.336 0.536 0 N-CA-C 109.818 -1.313 . . . . 0.0 109.818 177.048 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 46' ' ' CYS . . . . . . . . . . . . . 53.9 t -156.28 146.17 21.16 Favored 'General case' 0 N--CA 1.452 -0.356 0 N-CA-C 109.503 -0.555 . . . . 0.0 109.503 178.23 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 24.4 t -154.37 142.66 20.48 Favored 'General case' 0 N--CA 1.451 -0.424 0 N-CA-C 109.836 -0.431 . . . . 0.0 109.836 175.446 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 48' ' ' VAL . . . . . . . . . . . . . 97.3 t -114.7 146.71 18.82 Favored 'Isoleucine or valine' 0 N--CA 1.456 -0.13 0 N-CA-C 109.176 -0.676 . . . . 0.0 109.176 178.109 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 49' ' ' HIS . . . . . . . . . . . . . 47.4 m-70 -132.59 -169.07 2.17 Favored 'General case' 0 N--CA 1.451 -0.422 0 C-N-CA 124.383 1.073 . . . . 0.0 108.26 -177.23 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 60.4 tttm -87.31 116.84 25.68 Favored 'General case' 0 N--CA 1.452 -0.343 0 C-N-CA 120.72 -0.392 . . . . 0.0 109.976 178.808 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 81.58 -9.93 53.15 Favored Glycine 0 CA--C 1.532 1.143 0 CA-C-O 118.907 -0.94 . . . . 0.0 113.537 179.174 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 52.5 p90 -151.01 168.41 24.67 Favored 'General case' 0 CA--C 1.529 0.166 0 CA-C-N 118.906 1.353 . . . . 0.0 111.404 179.077 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -147.77 172.07 14.68 Favored 'General case' 0 N--CA 1.454 -0.227 0 C-N-CA 123.739 0.816 . . . . 0.0 110.341 176.317 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 54' ' ' PHE . . . . . . . . . . . . . 16.5 m-85 -139.31 146.42 40.3 Favored 'General case' 0 N--CA 1.456 -0.172 0 C-N-CA 123.299 0.639 . . . . 0.0 110.948 179.23 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 93.2 t -136.21 136.23 49.38 Favored 'Isoleucine or valine' 0 CA--C 1.516 -0.346 0 C-N-CA 123.608 0.763 . . . . 0.0 109.126 178.179 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 56' ' ' GLN . . . . . . . . . . . . . 63.9 tp60 -115.66 129.47 56.5 Favored 'General case' 0 N--CA 1.45 -0.456 0 N-CA-C 109.168 -0.678 . . . . 0.0 109.168 -177.339 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 57' ' ' TYR . . . . . . . . . . . . . 38.0 m-85 -111.49 176.03 5.19 Favored 'General case' 0 N--CA 1.455 -0.206 0 C-N-CA 123.334 0.654 . . . . 0.0 110.894 179.642 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 58' ' ' VAL . . . . . . . . . . . . . 72.1 t -71.82 -31.53 41.52 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.193 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.448 178.787 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 59' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -155.56 169.3 24.6 Favored 'General case' 0 C--N 1.339 0.142 0 N-CA-C 112.405 0.52 . . . . 0.0 112.405 178.911 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 75.9 tt0 -59.58 -31.08 69.12 Favored 'General case' 0 N--CA 1.457 -0.117 0 C-N-CA 123.393 0.677 . . . . 0.0 112.103 -177.795 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 19.3 tpp180 -59.32 -39.14 82.15 Favored 'General case' 0 C--O 1.231 0.082 0 CA-C-N 118.92 0.782 . . . . 0.0 110.11 -179.553 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 62' ' ' ASN . . . . . . . . . . . . . 18.6 m120 -70.74 -25.49 62.94 Favored 'General case' 0 N--CA 1.452 -0.349 0 O-C-N 122.254 -0.279 . . . . 0.0 111.04 -179.968 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -74.54 -37.17 63.09 Favored 'General case' 0 N--CA 1.452 -0.372 0 N-CA-C 110.285 -0.265 . . . . 0.0 110.285 178.27 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 64' ' ' ARG . . . . . . . . . . . . . 37.2 mmt180 -69.28 -26.49 64.77 Favored 'General case' 0 C--O 1.227 -0.082 0 N-CA-C 110.515 -0.18 . . . . 0.0 110.515 178.899 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -78.7 -33.0 47.17 Favored 'General case' 0 N--CA 1.454 -0.239 0 C-N-CA 121.481 -0.088 . . . . 0.0 111.119 -179.275 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -83.31 -34.29 25.73 Favored 'General case' 0 N--CA 1.452 -0.353 0 O-C-N 122.221 -0.299 . . . . 0.0 111.536 179.418 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 67' ' ' VAL . . . . . . . . . . . . . 54.4 t -65.75 -31.47 53.91 Favored 'Isoleucine or valine' 0 C--O 1.227 -0.1 0 N-CA-C 109.794 -0.447 . . . . 0.0 109.794 175.483 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -94.1 -10.26 33.91 Favored 'General case' 0 CA--C 1.529 0.169 0 N-CA-C 112.414 0.524 . . . . 0.0 112.414 177.635 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . -102.63 -12.87 31.59 Favored Glycine 0 CA--C 1.533 1.204 0 CA-C-O 119.292 -0.727 . . . . 0.0 113.969 -177.401 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 25.5 mm-40 -134.16 -19.52 1.96 Allowed 'General case' 0 CA--C 1.53 0.199 0 CA-C-N 118.514 1.157 . . . . 0.0 112.32 -174.561 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 20.5 t70 -61.41 117.23 5.41 Favored 'General case' 0 N--CA 1.455 -0.214 0 CA-C-N 119.209 0.913 . . . . 0.0 110.039 178.23 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . 88.02 10.18 69.54 Favored Glycine 0 C--N 1.338 0.683 0 N-CA-C 111.012 -0.835 . . . . 0.0 111.012 178.826 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 73' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -76.78 168.44 20.08 Favored 'General case' 0 N--CA 1.449 -0.51 0 N-CA-C 106.359 -1.719 . . . . 0.0 106.359 171.848 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 74' ' ' MET . . . . . . . . . . . . . 33.7 ttm -113.48 121.91 45.7 Favored 'General case' 0 N--CA 1.448 -0.556 0 N-CA-C 109.477 -0.564 . . . . 0.0 109.477 -176.784 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 75' ' ' ILE . . . . . . . . . . . . . 0.3 OUTLIER -129.03 135.88 61.01 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.39 0 CA-C-N 116.111 -0.495 . . . . 0.0 109.85 179.918 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . 54.57 17.53 1.68 Allowed 'General case' 0 CA--C 1.536 0.425 0 N-CA-C 112.158 0.429 . . . . 0.0 112.158 -174.136 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 88.86 5.01 74.61 Favored Glycine 0 CA--C 1.528 0.872 0 CA-C-O 119.684 -0.509 . . . . 0.0 112.193 -179.122 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 78' ' ' GLN . . . . . . . . . . . . . 1.0 OUTLIER -124.49 132.03 53.49 Favored 'General case' 0 N--CA 1.45 -0.448 0 CA-C-N 117.864 0.832 . . . . 0.0 110.206 -179.192 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 79' ' ' VAL . . . . . . . . . . . . . 47.4 t -64.0 141.3 18.35 Favored 'Isoleucine or valine' 0 C--O 1.228 -0.068 0 C-N-CA 124.199 1.0 . . . . 0.0 110.41 -178.726 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 32.4 mt -95.65 156.18 16.43 Favored 'General case' 0 C--O 1.233 0.202 0 CA-C-O 120.648 0.261 . . . . 0.0 111.593 176.867 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 81' ' ' ASP . . . . . . . . . . . . . 4.3 m-20 -124.37 96.97 5.11 Favored 'General case' 0 N--CA 1.455 -0.217 0 N-CA-C 107.608 -1.256 . . . . 0.0 107.608 176.833 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 82' ' ' ILE . . . . . . . . . . . . . 63.9 mt -112.07 141.79 26.46 Favored 'Isoleucine or valine' 0 C--O 1.231 0.12 0 C-N-CA 123.467 0.707 . . . . 0.0 110.106 -170.268 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 83' ' ' ASN . . . . . . . . . . . . . 54.3 t30 -154.46 158.11 39.43 Favored 'General case' 0 N--CA 1.455 -0.212 0 CA-C-N 116.562 -0.29 . . . . 0.0 111.167 -175.334 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 84' ' ' LEU . . . . . . . . . . . . . 1.2 tm? -60.67 128.43 36.54 Favored 'General case' 0 N--CA 1.449 -0.49 0 N-CA-C 107.972 -1.121 . . . . 0.0 107.972 172.871 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . -64.42 1.17 0.83 Allowed 'General case' 0 CA--C 1.532 0.277 0 N-CA-C 114.302 1.223 . . . . 0.0 114.302 -172.063 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . -129.42 10.16 5.67 Favored 'General case' 0 N--CA 1.455 -0.205 0 CA-C-N 118.736 0.698 . . . . 0.0 111.99 -177.737 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 97.2 mt-10 -138.42 57.1 11.36 Favored Pre-proline 0 CA--C 1.531 0.22 0 CA-C-O 119.169 -0.444 . . . . 0.0 111.801 -177.748 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 88' ' ' PRO . . . . . . . . . . . . . 52.0 Cg_endo -61.9 134.28 49.13 Favored 'Trans proline' 0 N--CA 1.45 -1.049 0 C-N-CA 122.022 1.815 . . . . 0.0 107.778 176.311 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 89' ' ' LYS . . . . . 0.522 ' HG3' ' H ' ' A' ' 90' ' ' VAL . 6.2 ptpp? -139.07 -68.38 0.44 Allowed 'General case' 0 CA--C 1.53 0.2 0 N-CA-C 113.914 1.079 . . . . 0.0 113.914 -169.254 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 90' ' ' VAL . . . . . 0.522 ' H ' ' HG3' ' A' ' 89' ' ' LYS . 59.5 t -141.37 -30.02 0.21 Allowed 'Isoleucine or valine' 0 C--N 1.335 -0.056 0 C-N-CA 123.095 0.558 . . . . 0.0 111.499 -172.861 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 91' ' ' ASN . . . . . . . . . . . . . 33.8 m-80 -88.09 20.87 2.96 Favored 'General case' 0 N--CA 1.455 -0.188 0 C-N-CA 122.815 0.446 . . . . 0.0 111.84 -176.268 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 92' ' ' ARG . . . . . . . . . . . . . 68.1 ttp85 -115.26 128.71 56.31 Favored 'General case' 0 N--CA 1.448 -0.531 0 N-CA-C 108.775 -0.824 . . . . 0.0 108.775 175.709 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . -166.15 -152.11 7.08 Favored Glycine 0 CA--C 1.519 0.343 0 N-CA-C 107.267 -2.333 . . . . 0.0 107.267 178.731 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 68.1 mttm -135.3 -22.98 1.5 Allowed 'General case' 0 C--N 1.334 -0.098 0 CA-C-N 118.437 1.119 . . . . 0.0 111.72 175.034 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . -165.84 177.87 6.89 Favored 'General case' 0 N--CA 1.452 -0.362 0 C-N-CA 122.843 0.457 . . . . 0.0 109.97 178.583 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . -68.69 -10.88 61.72 Favored Glycine 0 CA--C 1.528 0.879 0 N-CA-C 111.508 -0.637 . . . . 0.0 111.508 175.933 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 97' ' ' VAL . . . . . . . . . . . . . 8.6 p -105.04 128.53 58.77 Favored 'Isoleucine or valine' 0 N--CA 1.456 -0.174 0 N-CA-C 108.722 -0.844 . . . . 0.0 108.722 174.296 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 98' ' ' LYS . . . . . . . . . . . . . 4.2 mptp? -102.53 22.9 12.75 Favored 'General case' 0 CA--C 1.53 0.197 0 C-N-CA 123.393 0.677 . . . . 0.0 111.423 -173.265 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 99' ' ' ARG . . . . . . . . . . . . . 63.2 mtt85 -120.75 170.35 9.53 Favored 'General case' 0 CA--C 1.52 -0.189 0 C-N-CA 123.946 0.898 . . . . 0.0 110.818 178.419 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 7.8 t -71.03 -11.78 61.16 Favored 'General case' 0 N--CA 1.453 -0.307 0 CA-C-N 115.968 -0.56 . . . . 0.0 111.497 -176.793 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 101' ' ' ALA . . . . . . . . . . . . . . . 55.02 9.31 0.3 Allowed 'General case' 0 CA--C 1.533 0.326 0 C-N-CA 124.458 1.103 . . . . 0.0 113.153 -175.064 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -148.32 8.19 0.81 Allowed 'General case' 0 CA--C 1.532 0.262 0 C-N-CA 123.469 0.708 . . . . 0.0 111.274 178.668 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 12.0 pt-20 -72.81 -5.53 38.67 Favored 'General case' 0 CA--C 1.528 0.134 0 C-N-CA 123.386 0.674 . . . . 0.0 112.369 -177.237 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 104' ' ' MET . . . . . . . . . . . . . 71.3 mtm -101.86 6.31 41.43 Favored 'General case' 0 N--CA 1.454 -0.254 0 C-N-CA 123.485 0.714 . . . . 0.0 111.118 178.84 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 105' ' ' TYR . . . . . . . . . . . . . 50.0 m-85 -133.87 4.8 3.58 Favored 'General case' 0 CA--C 1.532 0.265 0 C-N-CA 123.019 0.527 . . . . 0.0 111.381 -178.019 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 106' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.528 0.844 0 N-CA-C 111.01 -0.836 . . . . 0.0 111.01 179.833 . . . . . . . . 0 0 . 1 . 017 nuclear build full ' B' B ' 1' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.419 -2.846 2 O4'-C1'-N19 112.424 4.224 . 0.0 '__' . 0.0 . . . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 2' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.419 -2.844 1 O4'-C1'-N19 112.265 4.065 . 0.01 4b . 0.0 . . . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 3' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.421 -2.667 0 O4'-C1'-N19 111.173 2.973 . 0.201 0b . 0.0 . . . . . . . . . . 0 0 . 1 . 017 nuclear build full ' B' B ' 4' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.422 -2.571 1 O4'-C1'-N19 112.414 4.214 . 0.176 4b . 0.0 . . . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 5' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.418 -2.919 1 O4'-C1'-N19 113.111 4.911 . 0.22 2u . 0.0 . . . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.473 0.71 0 CA-C-O 120.436 0.16 . . . . 0.0 110.793 . . . . . . . . . 0 0 . 1 . 018 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 46.7 m -68.88 159.86 31.75 Favored 'General case' 0 CA--C 1.528 0.103 0 C-N-CA 122.945 0.498 . . . . 0.0 111.312 -179.487 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 4' ' ' ASN . . . . . . . . . . . . . 55.7 t30 -84.28 -0.74 53.54 Favored 'General case' 0 CA--C 1.533 0.318 0 C-N-CA 123.252 0.621 . . . . 0.0 110.987 -179.131 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 86.8 t -92.36 132.83 35.62 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.194 0 C-N-CA 122.855 0.462 . . . . 0.0 111.393 -175.322 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 56.7 p -146.53 5.54 0.93 Allowed 'General case' 0 C--O 1.227 -0.127 0 C-N-CA 123.62 0.768 . . . . 0.0 111.584 179.169 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 7' ' ' ASN . . . . . . . . . . . . . 64.8 t-20 -110.31 100.47 9.33 Favored 'General case' 0 N--CA 1.455 -0.182 0 CA-C-N 119.214 0.916 . . . . 0.0 110.927 -178.228 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 54.9 mtmt -143.59 147.14 33.94 Favored 'General case' 0 C--O 1.232 0.162 0 C-N-CA 124.306 1.043 . . . . 0.0 109.014 175.472 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 60.5 p -116.66 15.98 15.44 Favored 'General case' 0 C--O 1.234 0.24 0 C-N-CA 122.779 0.432 . . . . 0.0 111.879 -175.055 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 11.8 m-20 -62.8 150.98 85.99 Favored Pre-proline 0 CA--C 1.531 0.245 0 N-CA-C 110.143 -0.317 . . . . 0.0 110.143 177.47 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 11' ' ' PRO . . . . . . . . . . . . . 67.4 Cg_endo -67.05 1.69 2.69 Favored 'Trans proline' 0 N--CA 1.456 -0.69 0 C-N-CA 124.316 3.344 . . . . 0.0 113.353 -173.446 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 2.7 tmm_? -130.91 -36.13 1.37 Allowed 'General case' 0 C--O 1.226 -0.163 0 O-C-N 121.978 -0.451 . . . . 0.0 110.485 178.17 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 24.3 m -71.57 -27.57 63.24 Favored 'General case' 0 C--O 1.228 -0.059 0 O-C-N 121.97 -0.456 . . . . 0.0 111.397 -179.052 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 14' ' ' MET . . . . . . . . . . . . . 17.3 ttm -76.59 -21.66 55.28 Favored 'General case' 0 N--CA 1.455 -0.224 0 CA-C-N 118.055 0.389 . . . . 0.0 110.617 176.985 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 26.3 m-80 -92.92 -14.74 27.17 Favored 'General case' 0 CA--C 1.531 0.22 0 O-C-N 122.365 -0.209 . . . . 0.0 110.604 178.096 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 14.6 m -93.43 8.13 41.79 Favored 'General case' 0 N--CA 1.455 -0.183 0 C-N-CA 123.63 0.772 . . . . 0.0 111.654 175.435 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 27.7 ttp-105 -105.18 152.61 22.62 Favored 'General case' 0 C--N 1.338 0.093 0 C-N-CA 123.607 0.763 . . . . 0.0 110.375 -179.445 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 60.0 t -128.89 132.51 67.4 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.344 0 C-N-CA 123.214 0.606 . . . . 0.0 109.99 177.532 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 19' ' ' PHE . . . . . 0.411 ' CD2' ' C5 ' ' B' ' 2' ' ' ' U' . 64.7 t80 -92.76 138.38 31.54 Favored 'General case' 0 N--CA 1.45 -0.458 0 C-N-CA 123.73 0.812 . . . . 0.0 109.61 174.114 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 57.8 mt -123.77 83.4 0.82 Allowed 'Isoleucine or valine' 0 N--CA 1.454 -0.228 0 N-CA-C 107.824 -1.176 . . . . 0.0 107.824 179.023 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -85.61 176.59 49.68 Favored Glycine 0 CA--C 1.524 0.615 0 N-CA-C 110.074 -1.211 . . . . 0.0 110.074 177.481 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 22' ' ' ASN . . . . . 0.531 ' HA ' ' C2 ' ' B' ' 1' ' ' ' U' . 54.0 t30 48.81 46.45 21.8 Favored 'General case' 0 N--CA 1.45 -0.472 0 C-N-CA 123.282 0.633 . . . . 0.0 110.341 -176.678 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 57.2 tp -100.33 145.58 27.98 Favored 'General case' 0 N--CA 1.456 -0.155 0 C-N-CA 123.468 0.707 . . . . 0.0 109.554 -179.977 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 65.0 t30 -71.45 -38.65 71.29 Favored 'General case' 0 CA--C 1.53 0.196 0 O-C-N 122.326 -0.234 . . . . 0.0 111.199 -177.294 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 46.9 p 53.99 -1.74 0.02 OUTLIER 'General case' 0 N--CA 1.467 0.402 0 C-N-CA 127.195 2.198 . . . . 0.0 115.339 178.725 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 87.2 mt -87.27 -20.86 26.25 Favored 'General case' 0 N--CA 1.451 -0.394 0 C-N-CA 123.368 0.667 . . . . 0.0 111.743 175.064 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 60.6 t -121.66 -25.57 2.33 Favored 'Isoleucine or valine' 0 CA--C 1.528 0.117 0 CA-C-O 119.475 -0.297 . . . . 0.0 111.44 -179.158 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 49.6 t -101.64 145.6 11.33 Favored 'Isoleucine or valine' 0 N--CA 1.457 -0.077 0 CA-C-N 118.363 0.528 . . . . 0.0 110.246 178.979 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 8.2 mptt -134.88 173.14 12.03 Favored 'General case' 0 N--CA 1.46 0.031 0 C-N-CA 123.302 0.641 . . . . 0.0 110.154 -178.4 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 10.8 ptmt -68.1 -5.27 16.85 Favored 'General case' 0 CA--C 1.528 0.122 0 C-N-CA 123.443 0.697 . . . . 0.0 112.079 178.857 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 37.2 m -97.83 0.63 47.1 Favored 'General case' 0 C--N 1.332 -0.169 0 C-N-CA 123.734 0.814 . . . . 0.0 110.549 174.036 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 19.8 m-20 -117.93 -33.66 4.4 Favored 'General case' 0 N--CA 1.453 -0.323 0 C-N-CA 123.754 0.821 . . . . 0.0 110.486 179.983 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 85.9 t -64.69 -31.21 52.77 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.192 0 N-CA-C 108.938 -0.764 . . . . 0.0 108.938 178.695 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 25.9 pt-20 -79.65 7.83 7.68 Favored 'General case' 0 CA--C 1.532 0.266 0 N-CA-C 111.913 0.338 . . . . 0.0 111.913 178.381 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -126.09 -8.21 6.54 Favored 'General case' 0 N--CA 1.451 -0.382 0 C-N-CA 123.252 0.621 . . . . 0.0 110.715 176.736 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 77.9 mt -109.98 -27.68 2.83 Favored 'Isoleucine or valine' 0 CA--C 1.529 0.14 0 C-N-CA 123.311 0.644 . . . . 0.0 110.622 179.052 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 37' ' ' PHE . . . . . . . . . . . . . 60.8 m-85 -103.87 -5.79 22.0 Favored 'General case' 0 N--CA 1.454 -0.243 0 C-N-CA 122.808 0.443 . . . . 0.0 111.132 179.501 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 69.9 p -75.98 -13.73 60.24 Favored 'General case' 0 C--O 1.232 0.173 0 C-N-CA 122.457 0.303 . . . . 0.0 111.51 -179.976 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 13.1 ptmm? -83.64 -9.91 58.57 Favored 'General case' 0 CA--C 1.53 0.177 0 C-N-CA 123.124 0.569 . . . . 0.0 112.182 179.35 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 40' ' ' TYR . . . . . . . . . . . . . 84.0 m-85 -106.25 -14.89 14.99 Favored 'General case' 0 C--N 1.338 0.094 0 C-N-CA 122.718 0.407 . . . . 0.0 111.177 177.207 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -176.82 162.73 31.27 Favored Glycine 0 CA--C 1.524 0.595 0 N-CA-C 111.852 -0.499 . . . . 0.0 111.852 174.451 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 78.4 tttt -74.07 113.84 11.71 Favored 'General case' 0 N--CA 1.454 -0.231 0 N-CA-C 108.875 -0.787 . . . . 0.0 108.875 177.859 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 43' ' ' ILE . . . . . . . . . . . . . 73.1 mt -82.98 130.16 36.2 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.236 0 N-CA-C 109.87 -0.419 . . . . 0.0 109.87 -178.378 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 33.5 m -109.07 -5.28 10.86 Favored 'Isoleucine or valine' 0 N--CA 1.457 -0.082 0 C-N-CA 123.443 0.697 . . . . 0.0 110.907 179.302 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . -173.9 146.51 8.79 Favored Glycine 0 C--N 1.336 0.538 0 N-CA-C 109.884 -1.287 . . . . 0.0 109.884 177.097 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 46' ' ' CYS . . . . . . . . . . . . . 53.9 t -152.98 145.26 23.96 Favored 'General case' 0 N--CA 1.452 -0.369 0 C-N-CA 122.638 0.375 . . . . 0.0 110.086 179.404 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 27.1 t -151.41 142.6 23.24 Favored 'General case' 0 N--CA 1.45 -0.45 0 N-CA-C 109.867 -0.42 . . . . 0.0 109.867 176.676 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 48' ' ' VAL . . . . . . . . . . . . . 99.3 t -118.93 146.25 23.82 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.34 0 N-CA-C 108.881 -0.785 . . . . 0.0 108.881 177.92 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 49' ' ' HIS . . . . . . . . . . . . . 45.7 m-70 -132.13 -167.55 1.9 Allowed 'General case' 0 N--CA 1.452 -0.342 0 N-CA-C 107.901 -1.148 . . . . 0.0 107.901 -176.789 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 30.8 mmmt -85.47 117.63 24.5 Favored 'General case' 0 N--CA 1.455 -0.197 0 C-N-CA 120.326 -0.55 . . . . 0.0 109.674 177.257 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 79.51 -11.19 33.23 Favored Glycine 0 CA--C 1.532 1.13 0 C-N-CA 123.769 0.7 . . . . 0.0 113.898 177.769 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 49.8 p90 -146.66 165.56 29.21 Favored 'General case' 0 CA--C 1.529 0.158 0 CA-C-N 118.802 1.301 . . . . 0.0 111.584 178.83 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -147.71 171.04 16.27 Favored 'General case' 0 CA--C 1.53 0.184 0 C-N-CA 123.416 0.686 . . . . 0.0 110.8 177.374 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 54' ' ' PHE . . . . . . . . . . . . . 13.8 m-85 -139.14 147.93 42.55 Favored 'General case' 0 N--CA 1.454 -0.256 0 C-N-CA 123.987 0.915 . . . . 0.0 110.848 -179.647 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 97.7 t -137.99 138.09 44.05 Favored 'Isoleucine or valine' 0 CA--C 1.52 -0.188 0 C-N-CA 123.748 0.819 . . . . 0.0 109.11 177.819 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 56' ' ' GLN . . . . . . . . . . . . . 69.4 tp60 -117.88 132.3 56.44 Favored 'General case' 0 N--CA 1.452 -0.352 0 N-CA-C 109.096 -0.705 . . . . 0.0 109.096 -178.792 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 57' ' ' TYR . . . . . . . . . . . . . 42.8 m-85 -113.54 173.94 6.17 Favored 'General case' 0 N--CA 1.454 -0.242 0 C-N-CA 123.318 0.647 . . . . 0.0 111.129 -179.405 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 58' ' ' VAL . . . . . . . . . . . . . 74.2 t -70.28 -30.86 44.99 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.24 0 C-N-CA 123.02 0.528 . . . . 0.0 110.489 178.337 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 59' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -156.27 166.3 33.84 Favored 'General case' 0 N--CA 1.455 -0.189 0 CA-C-N 118.088 0.403 . . . . 0.0 112.019 177.024 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 83.5 tt0 -55.47 -32.09 62.52 Favored 'General case' 0 CA--C 1.529 0.171 0 C-N-CA 123.711 0.805 . . . . 0.0 112.575 -179.713 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 20.3 tpp85 -59.54 -38.19 80.4 Favored 'General case' 0 C--O 1.231 0.085 0 CA-C-N 119.008 0.822 . . . . 0.0 110.305 -179.108 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 62' ' ' ASN . . . . . . . . . . . . . 18.8 m120 -72.05 -25.0 61.62 Favored 'General case' 0 N--CA 1.451 -0.399 0 O-C-N 122.13 -0.356 . . . . 0.0 111.012 179.767 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -75.15 -37.26 61.39 Favored 'General case' 0 N--CA 1.453 -0.287 0 N-CA-C 110.069 -0.345 . . . . 0.0 110.069 178.136 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 64' ' ' ARG . . . . . . . . . . . . . 40.4 mmt180 -69.26 -26.33 64.71 Favored 'General case' 0 N--CA 1.457 -0.093 0 N-CA-C 110.157 -0.312 . . . . 0.0 110.157 178.758 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -78.15 -32.84 50.5 Favored 'General case' 0 N--CA 1.454 -0.248 0 CA-C-O 119.992 -0.051 . . . . 0.0 110.904 -179.431 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -83.03 -35.27 25.91 Favored 'General case' 0 N--CA 1.451 -0.418 0 O-C-N 122.197 -0.315 . . . . 0.0 111.489 179.114 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 67' ' ' VAL . . . . . . . . . . . . . 51.7 t -64.72 -30.49 50.43 Favored 'Isoleucine or valine' 0 C--O 1.227 -0.102 0 O-C-N 122.013 -0.429 . . . . 0.0 109.979 175.375 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -96.07 -9.49 30.74 Favored 'General case' 0 CA--C 1.531 0.213 0 N-CA-C 112.4 0.519 . . . . 0.0 112.4 178.027 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . -103.0 -13.74 28.44 Favored Glycine 0 CA--C 1.532 1.098 0 CA-C-O 119.308 -0.718 . . . . 0.0 113.744 -177.538 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 26.4 mm-40 -133.12 -18.85 2.27 Favored 'General case' 0 N--CA 1.465 0.286 0 CA-C-N 118.368 1.084 . . . . 0.0 112.318 -174.441 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 23.7 t70 -62.14 118.25 7.11 Favored 'General case' 0 N--CA 1.453 -0.275 0 CA-C-N 118.964 0.802 . . . . 0.0 109.653 178.485 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . 87.53 10.08 71.1 Favored Glycine 0 C--N 1.338 0.67 0 N-CA-C 111.101 -0.8 . . . . 0.0 111.101 179.235 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 73' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -76.93 168.34 20.26 Favored 'General case' 0 N--CA 1.45 -0.473 0 N-CA-C 106.328 -1.73 . . . . 0.0 106.328 171.628 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 74' ' ' MET . . . . . . . . . . . . . 35.9 ttm -114.18 121.87 45.08 Favored 'General case' 0 N--CA 1.45 -0.448 0 N-CA-C 109.263 -0.643 . . . . 0.0 109.263 -175.95 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 75' ' ' ILE . . . . . . . . . . . . . 0.2 OUTLIER -129.87 136.14 59.61 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.388 0 N-CA-C 109.539 -0.541 . . . . 0.0 109.539 179.624 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . 54.3 17.9 1.67 Allowed 'General case' 0 CA--C 1.533 0.319 0 C-N-CA 123.449 0.699 . . . . 0.0 111.91 -174.134 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 89.18 4.0 75.05 Favored Glycine 0 CA--C 1.526 0.765 0 C-N-CA 123.216 0.436 . . . . 0.0 112.066 -179.562 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 78' ' ' GLN . . . . . . . . . . . . . 1.0 OUTLIER -123.26 130.86 53.32 Favored 'General case' 0 N--CA 1.451 -0.392 0 CA-C-N 117.699 0.75 . . . . 0.0 109.905 -179.087 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 79' ' ' VAL . . . . . . . . . . . . . 48.1 t -63.6 139.87 20.59 Favored 'Isoleucine or valine' 0 CA--C 1.522 -0.102 0 C-N-CA 124.15 0.98 . . . . 0.0 110.278 -179.336 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 31.2 mt -94.22 155.72 16.9 Favored 'General case' 0 C--O 1.231 0.095 0 CA-C-O 120.846 0.355 . . . . 0.0 111.356 177.567 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 81' ' ' ASP . . . . . . . . . . . . . 27.9 m-20 -124.38 101.51 7.2 Favored 'General case' 0 N--CA 1.453 -0.314 0 N-CA-C 107.632 -1.247 . . . . 0.0 107.632 174.881 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 82' ' ' ILE . . . . . . . . . . . . . 61.4 mt -114.16 138.48 43.95 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.344 0 CA-C-N 115.537 -0.756 . . . . 0.0 109.454 -170.195 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 83' ' ' ASN . . . . . . . . . . . . . 8.1 t30 -155.53 158.61 38.75 Favored 'General case' 0 N--CA 1.454 -0.238 0 N-CA-C 109.427 -0.583 . . . . 0.0 109.427 -174.754 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 84' ' ' LEU . . . . . . . . . . . . . 7.1 tp -60.6 142.58 55.35 Favored 'General case' 0 N--CA 1.451 -0.408 0 N-CA-C 109.4 -0.592 . . . . 0.0 109.4 174.688 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . -66.69 -0.75 3.11 Favored 'General case' 0 CA--C 1.533 0.314 0 N-CA-C 113.732 1.012 . . . . 0.0 113.732 -175.861 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . -132.74 15.38 4.36 Favored 'General case' 0 CA--C 1.53 0.189 0 CA-C-N 118.476 0.58 . . . . 0.0 112.308 -176.976 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 87' ' ' GLU . . . . . 0.4 ' N ' ' CD ' ' A' ' 88' ' ' PRO . 95.6 mt-10 -135.73 43.8 0.96 Allowed Pre-proline 0 CA--C 1.533 0.302 0 CA-C-O 119.086 -0.483 . . . . 0.0 111.925 179.511 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 88' ' ' PRO . . . . . 0.4 ' CD ' ' N ' ' A' ' 87' ' ' GLU . 42.2 Cg_endo -60.59 149.12 88.71 Favored 'Trans proline' 0 N--CA 1.45 -1.05 0 C-N-CA 122.682 2.255 . . . . 0.0 109.737 -177.482 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 89' ' ' LYS . . . . . 0.454 ' HG3' ' H ' ' A' ' 90' ' ' VAL . 3.9 ptpp? -138.4 -87.72 0.24 Allowed 'General case' 0 N--CA 1.456 -0.155 0 N-CA-C 112.907 0.706 . . . . 0.0 112.907 -171.689 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 90' ' ' VAL . . . . . 0.454 ' H ' ' HG3' ' A' ' 89' ' ' LYS . 55.9 t -137.04 -29.04 0.4 Allowed 'Isoleucine or valine' 0 C--O 1.231 0.081 0 N-CA-C 112.423 0.527 . . . . 0.0 112.423 -172.73 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 91' ' ' ASN . . . . . . . . . . . . . 24.6 m-80 -83.57 6.59 20.03 Favored 'General case' 0 CA--C 1.532 0.254 0 N-CA-C 112.845 0.683 . . . . 0.0 112.845 -172.691 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 92' ' ' ARG . . . . . 0.432 ' C ' ' H ' ' A' ' 94' ' ' LYS . 3.3 ppt_? -114.26 25.29 11.21 Favored 'General case' 0 CA--C 1.53 0.208 0 C-N-CA 122.958 0.503 . . . . 0.0 110.519 175.721 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . -69.47 24.59 0.36 Allowed Glycine 0 C--N 1.339 0.695 0 C-N-CA 124.877 1.227 . . . . 0.0 113.699 -176.113 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 94' ' ' LYS . . . . . 0.432 ' H ' ' C ' ' A' ' 92' ' ' ARG . 91.0 mttt 60.49 -7.53 0.08 Allowed 'General case' 0 N--CA 1.457 -0.104 0 C-N-CA 125.984 1.713 . . . . 0.0 115.316 178.98 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . -158.39 158.29 33.95 Favored 'General case' 0 N--CA 1.447 -0.59 0 CA-C-N 118.625 0.648 . . . . 0.0 111.385 179.374 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . -125.9 -3.06 7.1 Favored Glycine 0 CA--C 1.525 0.716 0 N-CA-C 111.095 -0.802 . . . . 0.0 111.095 177.268 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 97' ' ' VAL . . . . . . . . . . . . . 39.2 t -90.03 141.84 13.78 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.252 0 CA-C-N 117.544 0.672 . . . . 0.0 109.416 179.522 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 98' ' ' LYS . . . . . 0.538 ' HA ' ' HE2' ' A' ' 98' ' ' LYS . 10.7 mmpt? -83.49 17.96 2.01 Favored 'General case' 0 CA--C 1.53 0.21 0 C-N-CA 123.519 0.727 . . . . 0.0 112.481 -177.84 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 99' ' ' ARG . . . . . . . . . . . . . 10.9 tpt180 -147.38 171.08 16.03 Favored 'General case' 0 N--CA 1.456 -0.149 0 C-N-CA 123.486 0.714 . . . . 0.0 109.471 -177.954 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 73.8 m -63.01 -16.41 59.71 Favored 'General case' 0 CA--C 1.527 0.094 0 C-N-CA 123.17 0.588 . . . . 0.0 112.07 179.112 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 101' ' ' ALA . . . . . . . . . . . . . . . 51.8 16.67 0.52 Allowed 'General case' 0 CA--C 1.535 0.394 0 C-N-CA 123.91 0.884 . . . . 0.0 112.694 -176.493 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -148.68 8.33 0.77 Allowed 'General case' 0 N--CA 1.455 -0.198 0 C-N-CA 123.13 0.572 . . . . 0.0 111.609 -177.889 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 16.7 pt-20 -74.6 -2.91 28.11 Favored 'General case' 0 CA--C 1.531 0.24 0 N-CA-C 112.643 0.608 . . . . 0.0 112.643 -176.098 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 104' ' ' MET . . . . . . . . . . . . . 25.3 ptp -126.79 8.88 6.91 Favored 'General case' 0 CA--C 1.532 0.272 0 C-N-CA 123.145 0.578 . . . . 0.0 112.431 -176.894 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 105' ' ' TYR . . . . . . . . . . . . . 38.7 m-85 -124.26 -9.34 7.56 Favored 'General case' 0 CA--C 1.527 0.093 0 C-N-CA 122.64 0.376 . . . . 0.0 111.466 179.494 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 106' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.526 0.761 0 N-CA-C 111.468 -0.653 . . . . 0.0 111.468 179.337 . . . . . . . . 0 0 . 1 . 018 nuclear build full ' B' B ' 1' ' ' ' U' . . . . . 0.531 ' C2 ' ' HA ' ' A' ' 22' ' ' ASN . . . . . . . . 0 O4'--C4' 1.416 -3.107 3 O4'-C1'-N19 114.49 6.29 OUTLIER-DELTA 0.0 '__' . 0.0 . . . . . . . . . . 3 3 . 1 . 018 nuclear build full ' B' B ' 2' ' ' ' U' . . . . . 0.473 " H4'" " H5'" ' B' ' 3' ' ' ' U' . . . . . . . . 0 O4'--C4' 1.417 -2.997 1 C5'-C4'-C3' 109.456 -4.029 . 0.15 4b . 0.0 . . . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 3' ' ' ' U' . . . . . 0.473 " H5'" " H4'" ' B' ' 2' ' ' ' U' . . . . . . . . 0 O4'--C4' 1.42 -2.713 0 C5'-C4'-C3' 110.765 -3.157 . 0.327 0b . 0.0 . . . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 4' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.423 -2.539 1 O4'-C1'-N19 112.842 4.642 . 0.164 4b . 0.0 . . . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 5' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.419 -2.864 0 O4'-C1'-N19 111.975 3.775 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.474 0.733 0 CA-C-O 120.381 0.134 . . . . 0.0 110.871 . . . . . . . . . 0 0 . 1 . 019 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 37.5 t -67.77 157.69 34.15 Favored 'General case' 0 C--O 1.226 -0.163 0 C-N-CA 122.93 0.492 . . . . 0.0 110.589 178.475 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 4' ' ' ASN . . . . . . . . . . . . . 3.8 p-10 -84.9 0.54 50.73 Favored 'General case' 0 CA--C 1.531 0.239 0 C-N-CA 123.107 0.563 . . . . 0.0 111.419 179.167 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 99.6 t -97.55 135.91 30.25 Favored 'Isoleucine or valine' 0 C--O 1.232 0.149 0 C-N-CA 122.731 0.412 . . . . 0.0 111.25 -176.38 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 76.5 p -147.2 5.09 0.83 Allowed 'General case' 0 CA--C 1.53 0.21 0 C-N-CA 123.671 0.788 . . . . 0.0 111.47 179.191 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 7' ' ' ASN . . . . . . . . . . . . . 61.5 t-20 -107.05 98.88 8.48 Favored 'General case' 0 N--CA 1.454 -0.26 0 O-C-N 121.324 -0.86 . . . . 0.0 111.025 -177.391 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 57.9 mtmt -142.42 148.27 37.53 Favored 'General case' 0 C--O 1.231 0.102 0 C-N-CA 124.631 1.172 . . . . 0.0 108.402 175.641 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 75.0 p -120.77 14.7 11.73 Favored 'General case' 0 N--CA 1.462 0.168 0 N-CA-C 112.687 0.625 . . . . 0.0 112.687 -173.521 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 13.6 m-20 -64.7 151.77 91.58 Favored Pre-proline 0 CA--C 1.532 0.256 0 N-CA-C 109.586 -0.524 . . . . 0.0 109.586 177.809 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 11' ' ' PRO . . . . . . . . . . . . . 74.5 Cg_endo -67.46 1.88 2.77 Favored 'Trans proline' 0 N--CA 1.455 -0.739 0 C-N-CA 124.109 3.206 . . . . 0.0 113.115 -173.999 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -132.11 -27.85 1.78 Allowed 'General case' 0 CA--C 1.523 -0.071 0 CA-C-N 118.331 0.514 . . . . 0.0 110.818 177.259 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 21.0 m -80.15 -21.19 43.36 Favored 'General case' 0 N--CA 1.456 -0.14 0 N-CA-C 111.843 0.312 . . . . 0.0 111.843 -178.763 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 14' ' ' MET . . . . . . . . . . . . . 13.0 ptm -93.71 -4.52 50.35 Favored 'General case' 0 N--CA 1.456 -0.125 0 C-N-CA 120.151 -0.619 . . . . 0.0 111.841 175.854 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 70.3 m-80 -100.7 -16.44 17.38 Favored 'General case' 0 N--CA 1.456 -0.166 0 C-N-CA 122.529 0.332 . . . . 0.0 110.46 175.542 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 77.8 p -89.75 6.12 42.96 Favored 'General case' 0 CA--C 1.53 0.196 0 C-N-CA 123.165 0.586 . . . . 0.0 111.344 171.358 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 30.9 ttp-105 -103.22 153.29 20.52 Favored 'General case' 0 N--CA 1.456 -0.135 0 C-N-CA 123.695 0.798 . . . . 0.0 109.971 177.945 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 83.3 t -129.3 131.27 67.67 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.442 0 C-N-CA 123.075 0.55 . . . . 0.0 110.017 178.509 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 53.7 t80 -89.37 138.36 31.51 Favored 'General case' 0 N--CA 1.45 -0.46 0 C-N-CA 123.523 0.729 . . . . 0.0 109.503 174.205 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 64.4 mt -124.16 85.86 0.99 Allowed 'Isoleucine or valine' 0 N--CA 1.454 -0.228 0 N-CA-C 107.745 -1.206 . . . . 0.0 107.745 179.534 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -85.69 173.26 47.25 Favored Glycine 0 CA--C 1.523 0.543 0 N-CA-C 110.278 -1.129 . . . . 0.0 110.278 177.672 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 22' ' ' ASN . . . . . 0.496 ' HA ' ' C2 ' ' B' ' 1' ' ' ' U' . 47.9 t30 50.01 49.06 21.02 Favored 'General case' 0 N--CA 1.453 -0.321 0 C-N-CA 123.048 0.539 . . . . 0.0 110.369 -178.415 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 57.6 tp -101.57 144.95 29.68 Favored 'General case' 0 N--CA 1.453 -0.315 0 N-CA-C 109.279 -0.637 . . . . 0.0 109.279 178.733 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 63.5 t30 -70.15 -36.75 74.96 Favored 'General case' 0 N--CA 1.455 -0.187 0 O-C-N 122.191 -0.318 . . . . 0.0 111.463 -177.532 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 47.4 p 51.21 9.47 0.06 Allowed 'General case' 0 N--CA 1.464 0.261 0 C-N-CA 126.205 1.802 . . . . 0.0 115.229 179.003 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 3.4 mm? -104.16 -14.18 15.95 Favored 'General case' 0 N--CA 1.456 -0.162 0 C-N-CA 123.555 0.742 . . . . 0.0 110.963 176.18 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 60.0 t -127.78 -20.31 2.0 Favored 'Isoleucine or valine' 0 CA--C 1.53 0.187 0 C-N-CA 123.148 0.579 . . . . 0.0 110.421 178.799 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 57.3 t -106.86 143.54 17.41 Favored 'Isoleucine or valine' 0 C--N 1.34 0.182 0 N-CA-C 109.896 -0.409 . . . . 0.0 109.896 177.686 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -136.23 173.32 11.84 Favored 'General case' 0 N--CA 1.456 -0.155 0 C-N-CA 123.904 0.882 . . . . 0.0 109.78 -178.561 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 12.4 ptmt -65.11 -7.85 14.08 Favored 'General case' 0 CA--C 1.53 0.195 0 C-N-CA 123.723 0.809 . . . . 0.0 112.068 179.04 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 38.9 m -97.66 -0.67 45.18 Favored 'General case' 0 CA--C 1.529 0.157 0 C-N-CA 123.291 0.636 . . . . 0.0 110.972 175.927 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 25.5 m-20 -115.44 -34.9 4.77 Favored 'General case' 0 N--CA 1.452 -0.358 0 C-N-CA 124.222 1.009 . . . . 0.0 110.205 179.265 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 81.9 t -62.69 -32.06 54.28 Favored 'Isoleucine or valine' 0 N--CA 1.456 -0.155 0 N-CA-C 109.589 -0.522 . . . . 0.0 109.589 177.648 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 25.3 pt-20 -80.53 7.56 9.67 Favored 'General case' 0 CA--C 1.532 0.259 0 O-C-N 122.247 -0.283 . . . . 0.0 111.656 178.679 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -126.05 -7.03 6.59 Favored 'General case' 0 N--CA 1.455 -0.193 0 C-N-CA 123.176 0.59 . . . . 0.0 111.195 177.398 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 70.2 mt -110.91 -28.83 2.52 Favored 'Isoleucine or valine' 0 C--N 1.339 0.133 0 C-N-CA 122.929 0.491 . . . . 0.0 110.777 178.486 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 37' ' ' PHE . . . . . . . . . . . . . 67.4 m-85 -101.3 -8.72 21.85 Favored 'General case' 0 N--CA 1.453 -0.283 0 C-N-CA 122.738 0.415 . . . . 0.0 110.943 179.934 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 69.1 p -72.59 -14.22 61.57 Favored 'General case' 0 CA--C 1.527 0.062 0 C-N-CA 122.607 0.363 . . . . 0.0 111.674 -178.965 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 18.3 ptmt -83.74 -10.8 57.87 Favored 'General case' 0 CA--C 1.53 0.207 0 C-N-CA 123.041 0.536 . . . . 0.0 112.186 179.123 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 40' ' ' TYR . . . . . . . . . . . . . 76.6 m-85 -106.05 -15.24 14.94 Favored 'General case' 0 N--CA 1.461 0.102 0 C-N-CA 122.263 0.225 . . . . 0.0 111.195 177.781 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -175.78 161.29 29.96 Favored Glycine 0 C--N 1.336 0.579 0 N-CA-C 111.971 -0.452 . . . . 0.0 111.971 174.586 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 78.2 tttt -73.01 114.21 10.91 Favored 'General case' 0 N--CA 1.452 -0.339 0 N-CA-C 108.651 -0.87 . . . . 0.0 108.651 177.584 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 43' ' ' ILE . . . . . . . . . . . . . 78.4 mt -83.39 128.65 38.57 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.339 0 N-CA-C 109.88 -0.415 . . . . 0.0 109.88 -178.461 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 34.2 m -109.06 -9.11 11.29 Favored 'Isoleucine or valine' 0 C--N 1.335 -0.06 0 C-N-CA 123.244 0.618 . . . . 0.0 110.879 179.138 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . -167.95 148.71 13.11 Favored Glycine 0 C--N 1.338 0.639 0 N-CA-C 109.844 -1.302 . . . . 0.0 109.844 178.098 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 46' ' ' CYS . . . . . . . . . . . . . 20.8 p -151.45 152.75 33.46 Favored 'General case' 0 N--CA 1.45 -0.43 0 N-CA-C 109.859 -0.422 . . . . 0.0 109.859 179.165 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 31.9 t -158.46 135.36 9.75 Favored 'General case' 0 N--CA 1.452 -0.356 0 N-CA-C 109.778 -0.452 . . . . 0.0 109.778 176.188 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 48' ' ' VAL . . . . . . . . . . . . . 99.7 t -111.7 149.56 14.33 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.24 0 N-CA-C 109.218 -0.66 . . . . 0.0 109.218 176.418 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 49' ' ' HIS . . . . . . . . . . . . . 51.0 m-70 -135.17 -168.36 2.17 Favored 'General case' 0 N--CA 1.45 -0.452 0 N-CA-C 107.87 -1.159 . . . . 0.0 107.87 -178.72 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 75.4 mmtt -85.67 118.66 25.31 Favored 'General case' 0 N--CA 1.456 -0.153 0 N-CA-C 109.555 -0.535 . . . . 0.0 109.555 176.448 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 78.73 -13.37 18.23 Favored Glycine 0 CA--C 1.53 1.013 0 C-N-CA 123.584 0.612 . . . . 0.0 114.121 178.843 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 50.1 p90 -144.76 165.45 28.05 Favored 'General case' 0 CA--C 1.529 0.14 0 CA-C-N 118.881 1.34 . . . . 0.0 111.784 179.04 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -147.52 171.97 14.71 Favored 'General case' 0 CA--C 1.533 0.291 0 C-N-CA 123.577 0.751 . . . . 0.0 110.77 177.101 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 54' ' ' PHE . . . . . . . . . . . . . 13.7 m-85 -140.45 145.85 37.51 Favored 'General case' 0 N--CA 1.453 -0.305 0 C-N-CA 124.204 1.001 . . . . 0.0 110.739 -179.313 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 97.2 t -137.05 137.2 47.01 Favored 'Isoleucine or valine' 0 CA--C 1.518 -0.263 0 C-N-CA 123.744 0.818 . . . . 0.0 109.223 178.48 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 56' ' ' GLN . . . . . . . . . . . . . 62.0 tp60 -116.93 130.64 56.83 Favored 'General case' 0 N--CA 1.45 -0.463 0 N-CA-C 109.387 -0.598 . . . . 0.0 109.387 -177.185 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 57' ' ' TYR . . . . . . . . . . . . . 43.4 m-85 -111.7 176.62 4.95 Favored 'General case' 0 N--CA 1.454 -0.25 0 C-N-CA 123.596 0.758 . . . . 0.0 110.571 179.742 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 58' ' ' VAL . . . . . . . . . . . . . 77.7 t -72.28 -31.21 38.15 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.286 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.588 178.323 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 59' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -156.29 168.86 26.02 Favored 'General case' 0 C--N 1.341 0.206 0 N-CA-C 112.108 0.41 . . . . 0.0 112.108 178.986 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 76.4 tt0 -58.91 -31.03 68.27 Favored 'General case' 0 N--CA 1.457 -0.089 0 C-N-CA 123.415 0.686 . . . . 0.0 112.265 -178.403 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 19.3 tpp180 -59.38 -38.15 79.76 Favored 'General case' 0 CA--C 1.529 0.156 0 CA-C-N 118.913 0.779 . . . . 0.0 110.021 -179.612 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 62' ' ' ASN . . . . . . . . . . . . . 19.8 m120 -71.66 -24.96 61.93 Favored 'General case' 0 N--CA 1.451 -0.408 0 C-N-CA 120.925 -0.31 . . . . 0.0 111.2 179.215 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -75.71 -37.55 59.37 Favored 'General case' 0 N--CA 1.453 -0.315 0 O-C-N 122.18 -0.325 . . . . 0.0 110.286 178.412 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 64' ' ' ARG . . . . . . . . . . . . . 40.1 mmt180 -68.22 -27.43 66.37 Favored 'General case' 0 CA--C 1.523 -0.068 0 N-CA-C 109.959 -0.385 . . . . 0.0 109.959 178.67 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -77.46 -34.02 54.55 Favored 'General case' 0 N--CA 1.455 -0.223 0 CA-C-N 117.553 0.16 . . . . 0.0 110.674 -179.174 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -82.87 -35.47 26.21 Favored 'General case' 0 N--CA 1.454 -0.255 0 O-C-N 122.106 -0.371 . . . . 0.0 111.597 179.705 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 67' ' ' VAL . . . . . . . . . . . . . 53.7 t -65.11 -30.39 50.19 Favored 'Isoleucine or valine' 0 C--N 1.334 -0.09 0 O-C-N 122.134 -0.354 . . . . 0.0 110.09 176.226 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -96.07 -9.73 30.14 Favored 'General case' 0 CA--C 1.531 0.234 0 N-CA-C 112.145 0.424 . . . . 0.0 112.145 177.521 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . -102.51 -12.8 32.07 Favored Glycine 0 CA--C 1.528 0.868 0 CA-C-O 119.288 -0.729 . . . . 0.0 113.649 -177.307 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 70' ' ' GLU . . . . . 0.407 ' CD ' ' HE ' ' A' ' 73' ' ' ARG . 24.0 mm-40 -133.99 -19.21 2.02 Favored 'General case' 0 N--CA 1.462 0.161 0 CA-C-N 118.655 1.227 . . . . 0.0 112.248 -174.984 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 22.2 t70 -61.4 117.18 5.34 Favored 'General case' 0 N--CA 1.455 -0.185 0 CA-C-N 119.099 0.863 . . . . 0.0 109.993 178.419 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . 87.99 10.07 69.83 Favored Glycine 0 C--N 1.337 0.585 0 N-CA-C 110.996 -0.842 . . . . 0.0 110.996 178.938 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 73' ' ' ARG . . . . . 0.407 ' HE ' ' CD ' ' A' ' 70' ' ' GLU . 0.1 OUTLIER -76.47 168.59 19.8 Favored 'General case' 0 N--CA 1.451 -0.409 0 N-CA-C 106.346 -1.724 . . . . 0.0 106.346 171.419 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 74' ' ' MET . . . . . . . . . . . . . 34.3 ttm -113.96 121.49 44.08 Favored 'General case' 0 N--CA 1.45 -0.454 0 N-CA-C 109.069 -0.715 . . . . 0.0 109.069 -176.588 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 75' ' ' ILE . . . . . . . . . . . . . 0.2 OUTLIER -129.13 136.09 60.43 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.314 0 CA-C-N 116.043 -0.526 . . . . 0.0 109.717 179.526 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . 54.48 17.71 1.71 Allowed 'General case' 0 N--CA 1.453 -0.277 0 C-N-CA 123.375 0.67 . . . . 0.0 112.06 -173.973 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 89.13 4.57 74.36 Favored Glycine 0 CA--C 1.528 0.899 0 CA-C-O 119.577 -0.568 . . . . 0.0 111.949 -179.36 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 78' ' ' GLN . . . . . . . . . . . . . 1.0 OUTLIER -124.39 130.92 53.35 Favored 'General case' 0 N--CA 1.451 -0.396 0 CA-C-N 117.746 0.773 . . . . 0.0 110.372 -179.205 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 79' ' ' VAL . . . . . . . . . . . . . 45.8 t -63.29 140.21 20.02 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.186 0 C-N-CA 124.252 1.021 . . . . 0.0 110.484 -178.938 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 30.2 mt -94.54 155.43 16.92 Favored 'General case' 0 N--CA 1.456 -0.146 0 CA-C-O 120.661 0.267 . . . . 0.0 111.33 177.219 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 81' ' ' ASP . . . . . . . . . . . . . 38.3 m-20 -124.1 98.07 5.62 Favored 'General case' 0 N--CA 1.452 -0.368 0 N-CA-C 107.685 -1.228 . . . . 0.0 107.685 176.306 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 82' ' ' ILE . . . . . . . . . . . . . 63.2 mt -111.6 138.97 38.06 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.178 0 C-N-CA 123.509 0.724 . . . . 0.0 109.835 -170.248 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 83' ' ' ASN . . . . . . . . . . . . . 9.2 t30 -153.42 157.29 39.71 Favored 'General case' 0 N--CA 1.456 -0.166 0 N-CA-C 109.567 -0.531 . . . . 0.0 109.567 -175.034 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 84' ' ' LEU . . . . . . . . . . . . . 7.7 tp -61.21 138.79 58.22 Favored 'General case' 0 N--CA 1.451 -0.41 0 N-CA-C 109.393 -0.595 . . . . 0.0 109.393 174.981 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . -69.16 6.16 1.04 Allowed 'General case' 0 CA--C 1.532 0.26 0 N-CA-C 113.516 0.932 . . . . 0.0 113.516 -176.086 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . -134.43 4.77 3.43 Favored 'General case' 0 N--CA 1.455 -0.216 0 CA-C-N 118.427 0.558 . . . . 0.0 112.466 -176.278 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 67.9 mt-10 -139.12 53.17 4.81 Favored Pre-proline 0 CA--C 1.53 0.185 0 C-N-CA 122.372 0.269 . . . . 0.0 111.236 -178.769 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 88' ' ' PRO . . . . . . . . . . . . . 56.3 Cg_endo -63.57 153.8 72.79 Favored 'Trans proline' 0 N--CA 1.449 -1.101 0 C-N-CA 122.386 2.058 . . . . 0.0 109.169 176.854 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 89' ' ' LYS . . . . . 0.488 ' HG3' ' H ' ' A' ' 90' ' ' VAL . 15.6 ptpt -144.72 -105.03 0.11 Allowed 'General case' 0 N--CA 1.453 -0.303 0 CA-C-N 115.806 -0.634 . . . . 0.0 110.576 -171.833 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 90' ' ' VAL . . . . . 0.488 ' H ' ' HG3' ' A' ' 89' ' ' LYS . 21.6 t -130.51 -27.77 0.81 Allowed 'Isoleucine or valine' 0 C--N 1.331 -0.198 0 C-N-CA 124.808 1.243 . . . . 0.0 110.135 -177.482 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 91' ' ' ASN . . . . . . . . . . . . . 22.2 m120 -74.47 -5.66 43.84 Favored 'General case' 0 N--CA 1.451 -0.421 0 C-N-CA 122.478 0.311 . . . . 0.0 111.59 -176.231 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 92' ' ' ARG . . . . . . . . . . . . . 54.2 ttp180 -68.28 -42.69 79.17 Favored 'General case' 0 C--N 1.34 0.171 0 C-N-CA 123.065 0.546 . . . . 0.0 110.146 176.784 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . 65.84 179.17 8.79 Favored Glycine 0 CA--C 1.525 0.697 0 C-N-CA 123.287 0.47 . . . . 0.0 111.935 179.324 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 34.8 mmtm -142.11 -19.04 0.72 Allowed 'General case' 0 C--N 1.334 -0.105 0 C-N-CA 123.279 0.632 . . . . 0.0 112.067 176.915 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . -152.73 32.55 0.5 Allowed 'General case' 0 CA--C 1.53 0.183 0 CA-C-N 118.077 0.399 . . . . 0.0 112.049 178.391 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . 77.7 1.92 79.22 Favored Glycine 0 CA--C 1.525 0.716 0 N-CA-C 111.896 -0.482 . . . . 0.0 111.896 -178.894 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 97' ' ' VAL . . . . . 0.44 HG22 ' H ' ' A' ' 99' ' ' ARG . 14.7 p -112.48 138.38 41.8 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.253 0 CA-C-N 117.228 0.514 . . . . 0.0 109.634 177.226 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 98' ' ' LYS . . . . . . . . . . . . . 90.7 mttt -124.68 13.11 8.63 Favored 'General case' 0 C--N 1.338 0.072 0 C-N-CA 123.568 0.747 . . . . 0.0 110.781 -178.992 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 99' ' ' ARG . . . . . 0.496 ' HG3' ' H ' ' A' ' 100' ' ' SER . 2.2 tpm_? -103.49 178.27 4.6 Favored 'General case' 0 N--CA 1.455 -0.225 0 C-N-CA 124.903 1.281 . . . . 0.0 109.564 -179.63 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 100' ' ' SER . . . . . 0.496 ' H ' ' HG3' ' A' ' 99' ' ' ARG . 74.8 m -59.61 -19.61 50.21 Favored 'General case' 0 N--CA 1.455 -0.2 0 C-N-CA 123.401 0.68 . . . . 0.0 111.875 177.637 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 101' ' ' ALA . . . . . . . . . . . . . . . 52.38 18.81 0.99 Allowed 'General case' 0 CA--C 1.533 0.321 0 C-N-CA 124.045 0.938 . . . . 0.0 112.53 -177.668 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -149.83 7.91 0.65 Allowed 'General case' 0 CA--C 1.533 0.323 0 C-N-CA 123.491 0.716 . . . . 0.0 111.533 -178.074 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 10.7 pt-20 -81.55 -6.4 58.94 Favored 'General case' 0 CA--C 1.531 0.24 0 N-CA-C 112.52 0.563 . . . . 0.0 112.52 -175.644 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 104' ' ' MET . . . . . . . . . . . . . 24.9 ptp -131.88 11.57 4.73 Favored 'General case' 0 CA--C 1.528 0.133 0 N-CA-C 112.604 0.594 . . . . 0.0 112.604 -177.057 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 105' ' ' TYR . . . . . . . . . . . . . 74.6 m-85 -111.69 5.8 19.46 Favored 'General case' 0 CA--C 1.533 0.305 0 C-N-CA 123.106 0.562 . . . . 0.0 111.531 -179.085 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 106' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.523 0.589 0 N-CA-C 110.827 -0.909 . . . . 0.0 110.827 179.896 . . . . . . . . 0 0 . 1 . 019 nuclear build full ' B' B ' 1' ' ' ' U' . . . . . 0.496 ' C2 ' ' HA ' ' A' ' 22' ' ' ASN . . . . . . . . 0 O4'--C4' 1.416 -3.109 2 O4'-C1'-N19 114.612 6.412 OUTLIER-DELTA 0.0 '__' . 0.0 . . . . . . . . . . 3 3 . 1 . 019 nuclear build full ' B' B ' 2' ' ' ' U' . . . . . 0.454 " H4'" " H5'" ' B' ' 3' ' ' ' U' . . . . . . . . 0 O4'--C4' 1.421 -2.707 0 C5'-C4'-C3' 110.005 -3.664 . 0.245 4b . 0.0 . . . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 3' ' ' ' U' . . . . . 0.454 " H5'" " H4'" ' B' ' 2' ' ' ' U' . . . . . . . . 0 O4'--C4' 1.421 -2.684 0 O4'-C1'-N19 111.124 2.924 . 0.307 0b . 0.0 . . . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 4' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.422 -2.587 1 O4'-C1'-N19 113.083 4.883 . 0.248 4b . 0.0 . . . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 5' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.423 -2.492 0 C5'-C4'-C3' 112.815 -1.79 . 0.068 6d . 0.0 . . . . . . . . . . 0 0 . 1 . 020 nuclear build full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.473 0.713 0 CA-C-O 120.482 0.182 . . . . 0.0 110.874 . . . . . . . . . 0 0 . 1 . 020 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 46.9 m -66.01 155.78 35.65 Favored 'General case' 0 CA--C 1.526 0.056 0 C-N-CA 122.811 0.444 . . . . 0.0 111.218 -179.677 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 4' ' ' ASN . . . . . . . . . . . . . 67.3 t30 -82.67 -1.3 50.78 Favored 'General case' 0 CA--C 1.534 0.354 0 C-N-CA 122.438 0.295 . . . . 0.0 111.525 -178.498 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 87.0 t -91.35 130.42 40.55 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.223 0 C-N-CA 122.851 0.46 . . . . 0.0 110.909 -177.053 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 48.6 p -147.82 12.73 1.01 Allowed 'General case' 0 CA--C 1.532 0.254 0 C-N-CA 123.46 0.704 . . . . 0.0 111.876 -179.644 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 7' ' ' ASN . . . . . . . . . . . . . 60.8 t-20 -124.65 110.08 13.96 Favored 'General case' 0 CA--C 1.531 0.222 0 CA-C-N 119.11 0.868 . . . . 0.0 111.828 -178.391 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 56.2 mtmt -151.41 165.93 32.61 Favored 'General case' 0 N--CA 1.462 0.154 0 C-N-CA 126.235 1.814 . . . . 0.0 107.822 174.775 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 75.4 p -125.48 15.07 8.24 Favored 'General case' 0 CA--C 1.527 0.091 0 N-CA-C 112.349 0.5 . . . . 0.0 112.349 -178.493 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 19.6 m-20 -81.05 152.83 71.84 Favored Pre-proline 0 N--CA 1.454 -0.246 0 CA-C-O 120.54 0.209 . . . . 0.0 111.16 179.937 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 11' ' ' PRO . . . . . 0.439 ' C ' ' H ' ' A' ' 13' ' ' SER . 55.8 Cg_endo -63.58 139.85 72.12 Favored 'Trans proline' 0 N--CA 1.447 -1.248 0 C-N-CA 122.958 2.439 . . . . 0.0 109.638 178.923 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 12' ' ' ARG . . . . . 0.4 ' HD3' ' HA ' ' A' ' 12' ' ' ARG . 18.6 mmt85 60.28 1.08 0.34 Allowed 'General case' 0 N--CA 1.462 0.152 0 C-N-CA 125.314 1.446 . . . . 0.0 112.997 -176.721 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 13' ' ' SER . . . . . 0.439 ' H ' ' C ' ' A' ' 11' ' ' PRO . 50.2 m -101.85 -24.48 14.03 Favored 'General case' 0 C--N 1.331 -0.237 0 N-CA-C 109.475 -0.565 . . . . 0.0 109.475 169.723 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 14' ' ' MET . . . . . . . . . . . . . 10.3 ptm -108.12 -5.08 17.14 Favored 'General case' 0 N--CA 1.453 -0.281 0 N-CA-C 112.663 0.616 . . . . 0.0 112.663 173.144 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 21.0 m120 -97.97 -19.76 17.84 Favored 'General case' 0 N--CA 1.456 -0.134 0 CA-C-N 118.059 0.39 . . . . 0.0 111.171 -179.38 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 79.1 p -88.24 6.03 38.82 Favored 'General case' 0 N--CA 1.455 -0.213 0 C-N-CA 123.87 0.868 . . . . 0.0 110.868 172.564 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 35.2 ttm180 -95.58 153.27 17.8 Favored 'General case' 0 C--O 1.233 0.189 0 C-N-CA 124.112 0.965 . . . . 0.0 110.042 -179.262 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 96.5 t -131.28 132.42 63.03 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.315 0 CA-C-O 120.915 0.388 . . . . 0.0 110.088 176.296 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 29.4 t80 -92.54 135.36 34.13 Favored 'General case' 0 N--CA 1.452 -0.353 0 CA-C-N 115.439 -0.8 . . . . 0.0 108.943 175.884 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 59.0 mt -122.68 83.61 0.82 Allowed 'Isoleucine or valine' 0 CA--C 1.523 -0.096 0 N-CA-C 107.979 -1.119 . . . . 0.0 107.979 -179.56 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -83.28 173.8 51.96 Favored Glycine 0 CA--C 1.524 0.644 0 N-CA-C 110.97 -0.852 . . . . 0.0 110.97 178.417 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 56.1 t30 48.58 49.12 18.94 Favored 'General case' 0 N--CA 1.454 -0.26 0 C-N-CA 123.264 0.626 . . . . 0.0 111.124 -178.257 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 55.8 tp -99.91 144.4 29.01 Favored 'General case' 0 CA--C 1.531 0.238 0 N-CA-C 109.195 -0.669 . . . . 0.0 109.195 179.868 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 63.6 t30 -69.41 -36.48 76.76 Favored 'General case' 0 CA--C 1.53 0.192 0 O-C-N 122.257 -0.277 . . . . 0.0 111.223 -177.715 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 46.1 p 52.93 2.2 0.02 OUTLIER 'General case' 0 N--CA 1.466 0.328 0 C-N-CA 126.886 2.074 . . . . 0.0 115.363 178.971 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 7.1 mp -96.16 -16.03 21.74 Favored 'General case' 0 N--CA 1.454 -0.239 0 C-N-CA 123.436 0.694 . . . . 0.0 111.23 177.027 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 57.4 t -125.99 -20.74 2.46 Favored 'Isoleucine or valine' 0 C--N 1.338 0.101 0 C-N-CA 122.728 0.411 . . . . 0.0 110.634 179.566 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 58.4 t -107.39 140.87 24.16 Favored 'Isoleucine or valine' 0 C--N 1.337 0.065 0 N-CA-C 109.777 -0.453 . . . . 0.0 109.777 177.216 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 2.5 mptp? -133.36 172.72 12.31 Favored 'General case' 0 C--N 1.337 0.041 0 C-N-CA 123.759 0.824 . . . . 0.0 109.655 -178.986 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 4.0 ptmm? -66.11 -5.54 10.26 Favored 'General case' 0 CA--C 1.528 0.118 0 C-N-CA 123.735 0.814 . . . . 0.0 112.104 179.544 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 35.7 m -98.18 -0.05 44.97 Favored 'General case' 0 CA--C 1.533 0.296 0 C-N-CA 123.597 0.759 . . . . 0.0 110.507 174.812 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 20.6 m-20 -117.02 -33.74 4.62 Favored 'General case' 0 N--CA 1.455 -0.218 0 C-N-CA 123.867 0.867 . . . . 0.0 110.452 -179.265 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 84.7 t -62.77 -32.4 55.6 Favored 'Isoleucine or valine' 0 N--CA 1.456 -0.142 0 N-CA-C 109.159 -0.682 . . . . 0.0 109.159 178.209 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 23.9 pt-20 -78.92 7.14 7.66 Favored 'General case' 0 CA--C 1.53 0.189 0 N-CA-C 112.124 0.416 . . . . 0.0 112.124 178.374 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -126.66 -7.31 6.23 Favored 'General case' 0 CA--C 1.531 0.248 0 C-N-CA 123.179 0.591 . . . . 0.0 111.03 177.74 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 74.3 mt -110.79 -27.67 2.8 Favored 'Isoleucine or valine' 0 C--O 1.232 0.135 0 C-N-CA 122.955 0.502 . . . . 0.0 110.562 178.836 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 37' ' ' PHE . . . . . . . . . . . . . 64.4 m-85 -102.67 -8.62 20.75 Favored 'General case' 0 N--CA 1.453 -0.28 0 C-N-CA 122.586 0.355 . . . . 0.0 111.106 179.515 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 66.0 p -72.87 -14.03 61.4 Favored 'General case' 0 C--N 1.338 0.106 0 C-N-CA 122.444 0.298 . . . . 0.0 111.589 -179.013 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 18.4 ptmt -83.23 -11.24 58.01 Favored 'General case' 0 CA--C 1.529 0.171 0 C-N-CA 123.361 0.664 . . . . 0.0 112.232 179.063 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 40' ' ' TYR . . . . . . . . . . . . . 78.8 m-85 -105.7 -15.05 15.07 Favored 'General case' 0 C--O 1.233 0.221 0 C-N-CA 122.475 0.31 . . . . 0.0 111.275 177.822 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -176.24 160.7 28.65 Favored Glycine 0 CA--C 1.522 0.507 0 N-CA-C 111.989 -0.444 . . . . 0.0 111.989 174.084 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 78.3 tttt -71.57 114.74 9.97 Favored 'General case' 0 N--CA 1.45 -0.451 0 N-CA-C 109.075 -0.713 . . . . 0.0 109.075 177.504 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 43' ' ' ILE . . . . . . . . . . . . . 74.3 mt -83.65 129.21 37.92 Favored 'Isoleucine or valine' 0 C--O 1.233 0.236 0 N-CA-C 109.688 -0.486 . . . . 0.0 109.688 -177.713 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 33.7 m -110.89 -5.08 11.15 Favored 'Isoleucine or valine' 0 CA--C 1.528 0.128 0 C-N-CA 123.303 0.641 . . . . 0.0 110.756 179.276 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . -167.43 144.11 8.74 Favored Glycine 0 CA--C 1.523 0.586 0 N-CA-C 109.687 -1.365 . . . . 0.0 109.687 177.388 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 46' ' ' CYS . . . . . . . . . . . . . 31.2 p -149.09 146.54 27.76 Favored 'General case' 0 N--CA 1.453 -0.301 0 CA-C-N 116.967 0.383 . . . . 0.0 110.089 -178.755 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 28.3 t -156.96 148.17 22.06 Favored 'General case' 0 N--CA 1.453 -0.303 0 N-CA-C 110.35 -0.241 . . . . 0.0 110.35 177.287 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 48' ' ' VAL . . . . . . . . . . . . . 92.8 t -125.82 147.09 30.62 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.206 0 N-CA-C 109.343 -0.614 . . . . 0.0 109.343 175.747 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 49' ' ' HIS . . . . . . . . . . . . . 56.1 m-70 -133.99 -166.87 1.86 Allowed 'General case' 0 N--CA 1.451 -0.393 0 C-N-CA 124.7 1.2 . . . . 0.0 107.944 -177.202 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 54.4 tttp -90.32 117.55 29.14 Favored 'General case' 0 N--CA 1.45 -0.456 0 C-N-CA 120.541 -0.464 . . . . 0.0 110.045 179.133 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 81.09 -6.34 63.4 Favored Glycine 0 CA--C 1.53 1.006 0 CA-C-O 119.538 -0.59 . . . . 0.0 113.678 179.48 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 51.2 p90 -155.56 170.9 20.92 Favored 'General case' 0 N--CA 1.456 -0.167 0 CA-C-N 118.548 1.174 . . . . 0.0 111.462 178.11 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -148.88 174.14 12.55 Favored 'General case' 0 N--CA 1.455 -0.188 0 C-N-CA 123.736 0.814 . . . . 0.0 110.444 177.434 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 54' ' ' PHE . . . . . . . . . . . . . 7.5 m-85 -141.02 148.22 39.91 Favored 'General case' 0 N--CA 1.454 -0.266 0 C-N-CA 123.572 0.749 . . . . 0.0 110.932 179.772 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 91.4 t -136.84 149.41 26.51 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.255 0 C-N-CA 124.166 0.986 . . . . 0.0 108.769 178.25 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 56' ' ' GLN . . . . . . . . . . . . . 58.3 tp60 -130.36 130.86 44.95 Favored 'General case' 0 N--CA 1.449 -0.519 0 N-CA-C 109.163 -0.68 . . . . 0.0 109.163 -178.77 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 57' ' ' TYR . . . . . . . . . . . . . 45.9 m-85 -112.47 177.75 4.53 Favored 'General case' 0 C--N 1.332 -0.184 0 C-N-CA 123.059 0.544 . . . . 0.0 110.752 -179.635 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 58' ' ' VAL . . . . . . . . . . . . . 53.7 t -72.45 -32.1 40.68 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.323 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.523 177.833 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 59' ' ' ASN . . . . . . . . . . . . . 0.0 OUTLIER -153.84 168.07 27.56 Favored 'General case' 0 N--CA 1.454 -0.268 0 N-CA-C 112.699 0.629 . . . . 0.0 112.699 178.99 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 86.3 tt0 -58.27 -30.66 66.76 Favored 'General case' 0 N--CA 1.454 -0.249 0 C-N-CA 123.963 0.905 . . . . 0.0 112.186 -178.165 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 19.3 tpp180 -60.81 -38.83 86.71 Favored 'General case' 0 C--N 1.338 0.105 0 CA-C-N 118.815 0.734 . . . . 0.0 110.239 179.96 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 62' ' ' ASN . . . . . . . . . . . . . 20.2 m120 -69.93 -25.6 63.74 Favored 'General case' 0 N--CA 1.452 -0.341 0 C-N-CA 120.854 -0.338 . . . . 0.0 110.987 179.831 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -74.22 -37.15 63.92 Favored 'General case' 0 N--CA 1.454 -0.241 0 N-CA-C 110.392 -0.225 . . . . 0.0 110.392 178.153 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 64' ' ' ARG . . . . . . . . . . . . . 35.1 mmt180 -69.0 -27.02 65.32 Favored 'General case' 0 CA--C 1.528 0.104 0 N-CA-C 110.239 -0.282 . . . . 0.0 110.239 179.178 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -78.27 -33.49 49.54 Favored 'General case' 0 N--CA 1.452 -0.366 0 O-C-N 122.512 -0.117 . . . . 0.0 111.255 -179.061 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -83.46 -35.07 25.23 Favored 'General case' 0 N--CA 1.45 -0.43 0 O-C-N 122.192 -0.318 . . . . 0.0 111.566 179.188 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 67' ' ' VAL . . . . . . . . . . . . . 54.1 t -65.31 -30.83 51.44 Favored 'Isoleucine or valine' 0 CA--C 1.527 0.062 0 N-CA-C 109.859 -0.422 . . . . 0.0 109.859 175.971 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -95.33 -10.2 30.81 Favored 'General case' 0 CA--C 1.53 0.198 0 N-CA-C 112.31 0.485 . . . . 0.0 112.31 177.467 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . -102.0 -13.0 32.74 Favored Glycine 0 CA--C 1.528 0.88 0 CA-C-O 119.323 -0.709 . . . . 0.0 114.094 -177.72 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 25.6 mm-40 -133.55 -19.18 2.14 Favored 'General case' 0 N--CA 1.462 0.151 0 CA-C-N 118.497 1.148 . . . . 0.0 112.24 -175.242 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 22.9 t70 -61.69 117.7 6.15 Favored 'General case' 0 C--O 1.231 0.095 0 O-C-N 121.258 -0.901 . . . . 0.0 109.573 178.348 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . 87.21 10.3 71.62 Favored Glycine 0 C--N 1.336 0.58 0 N-CA-C 110.973 -0.851 . . . . 0.0 110.973 178.738 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 73' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -76.38 169.15 18.77 Favored 'General case' 0 N--CA 1.448 -0.539 0 N-CA-C 106.308 -1.738 . . . . 0.0 106.308 171.73 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 74' ' ' MET . . . . . . . . . . . . . 33.3 ttm -114.3 121.91 45.11 Favored 'General case' 0 N--CA 1.449 -0.506 0 N-CA-C 109.203 -0.665 . . . . 0.0 109.203 -176.895 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 75' ' ' ILE . . . . . . . . . . . . . 0.2 OUTLIER -129.45 135.79 60.81 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.435 0 N-CA-C 109.483 -0.562 . . . . 0.0 109.483 179.469 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . 54.67 17.95 1.89 Allowed 'General case' 0 N--CA 1.455 -0.218 0 C-N-CA 123.329 0.652 . . . . 0.0 112.184 -174.346 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 89.33 4.31 74.16 Favored Glycine 0 CA--C 1.529 0.955 0 CA-C-O 119.727 -0.485 . . . . 0.0 112.06 -179.402 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 78' ' ' GLN . . . . . . . . . . . . . 1.0 OUTLIER -124.58 131.47 53.48 Favored 'General case' 0 N--CA 1.45 -0.451 0 CA-C-N 117.598 0.699 . . . . 0.0 110.389 -179.19 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 79' ' ' VAL . . . . . . . . . . . . . 51.4 t -63.32 140.89 18.9 Favored 'Isoleucine or valine' 0 CA--C 1.522 -0.115 0 C-N-CA 124.379 1.072 . . . . 0.0 110.219 -178.747 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 29.6 mt -95.54 156.06 16.48 Favored 'General case' 0 C--N 1.337 0.052 0 CA-C-O 120.846 0.355 . . . . 0.0 111.292 176.957 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 81' ' ' ASP . . . . . . . . . . . . . 4.7 m-20 -125.06 99.63 6.2 Favored 'General case' 0 N--CA 1.455 -0.19 0 N-CA-C 107.677 -1.231 . . . . 0.0 107.677 176.665 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 82' ' ' ILE . . . . . . . . . . . . . 64.9 mt -113.31 140.56 32.85 Favored 'Isoleucine or valine' 0 C--N 1.333 -0.109 0 C-N-CA 123.704 0.801 . . . . 0.0 110.206 -170.113 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 83' ' ' ASN . . . . . . . . . . . . . 8.6 t30 -153.53 156.51 38.22 Favored 'General case' 0 CA--C 1.531 0.241 0 C-N-CA 122.33 0.252 . . . . 0.0 110.627 -175.097 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 84' ' ' LEU . . . . . . . . . . . . . 1.1 tm? -60.47 128.86 38.75 Favored 'General case' 0 N--CA 1.449 -0.505 0 N-CA-C 108.615 -0.883 . . . . 0.0 108.615 174.057 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . -62.41 -4.05 1.69 Allowed 'General case' 0 CA--C 1.532 0.272 0 N-CA-C 114.673 1.36 . . . . 0.0 114.673 -173.171 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . -127.28 7.06 6.43 Favored 'General case' 0 N--CA 1.456 -0.165 0 CA-C-N 118.596 0.634 . . . . 0.0 112.389 -176.394 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 66.3 mt-10 -138.9 57.94 12.2 Favored Pre-proline 0 C--O 1.233 0.201 0 C-N-CA 122.25 0.22 . . . . 0.0 111.088 -178.939 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 88' ' ' PRO . . . . . . . . . . . . . 58.1 Cg_endo -64.34 156.21 61.31 Favored 'Trans proline' 0 N--CA 1.453 -0.907 0 C-N-CA 122.438 2.092 . . . . 0.0 109.774 176.431 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 89' ' ' LYS . . . . . 0.43 ' HG3' ' H ' ' A' ' 90' ' ' VAL . 15.2 ptpt -140.36 -102.28 0.15 Allowed 'General case' 0 N--CA 1.45 -0.439 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.986 -172.397 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 90' ' ' VAL . . . . . 0.43 ' H ' ' HG3' ' A' ' 89' ' ' LYS . 5.7 m -127.94 -14.98 2.95 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.176 0 C-N-CA 124.204 1.002 . . . . 0.0 111.632 -177.31 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 91' ' ' ASN . . . . . . . . . . . . . 21.8 m120 -82.2 9.5 8.61 Favored 'General case' 0 N--CA 1.452 -0.349 0 C-N-CA 123.156 0.582 . . . . 0.0 112.185 -178.197 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 92' ' ' ARG . . . . . . . . . . . . . 66.3 ttp85 -85.03 -92.4 0.09 Allowed 'General case' 0 C--O 1.225 -0.232 0 N-CA-C 109.325 -0.62 . . . . 0.0 109.325 175.793 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . 55.83 -144.85 34.06 Favored Glycine 0 CA--C 1.525 0.711 0 N-CA-C 111.028 -0.829 . . . . 0.0 111.028 -178.862 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 53.0 tttp -145.93 -15.78 0.47 Allowed 'General case' 0 N--CA 1.453 -0.303 0 C-N-CA 123.219 0.608 . . . . 0.0 112.006 175.925 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . -151.74 176.48 11.35 Favored 'General case' 0 CA--C 1.53 0.202 0 C-N-CA 122.999 0.52 . . . . 0.0 109.995 -176.583 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . -70.74 -4.86 55.26 Favored Glycine 0 CA--C 1.526 0.764 0 CA-C-O 119.696 -0.502 . . . . 0.0 112.559 179.204 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 97' ' ' VAL . . . . . 0.459 HG22 ' H ' ' A' ' 99' ' ' ARG . 11.3 p -109.29 139.78 30.75 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.276 0 CA-C-N 117.596 0.698 . . . . 0.0 109.17 176.994 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 98' ' ' LYS . . . . . . . . . . . . . 35.0 mmtp -118.82 13.93 13.28 Favored 'General case' 0 CA--C 1.529 0.14 0 C-N-CA 123.334 0.654 . . . . 0.0 111.979 -176.542 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 99' ' ' ARG . . . . . 0.459 ' H ' HG22 ' A' ' 97' ' ' VAL . 2.4 mpp_? -115.83 167.54 10.85 Favored 'General case' 0 C--O 1.231 0.1 0 C-N-CA 124.034 0.933 . . . . 0.0 109.861 178.789 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 71.6 m -72.12 -8.6 55.56 Favored 'General case' 0 N--CA 1.454 -0.232 0 C-N-CA 122.789 0.436 . . . . 0.0 111.793 178.281 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 101' ' ' ALA . . . . . . . . . . . . . . . 52.28 15.46 0.46 Allowed 'General case' 0 CA--C 1.534 0.338 0 C-N-CA 124.194 0.998 . . . . 0.0 112.357 -173.739 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -150.85 15.6 0.75 Allowed 'General case' 0 CA--C 1.53 0.185 0 C-N-CA 123.694 0.798 . . . . 0.0 111.14 -178.217 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 16.2 pt-20 -69.43 -2.66 11.69 Favored 'General case' 0 CA--C 1.531 0.225 0 N-CA-C 112.779 0.659 . . . . 0.0 112.779 -175.576 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 104' ' ' MET . . . . . . . . . . . . . 73.7 mtm -109.04 8.54 26.23 Favored 'General case' 0 CA--C 1.53 0.183 0 C-N-CA 123.445 0.698 . . . . 0.0 111.215 178.016 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 105' ' ' TYR . . . . . . . . . . . . . 63.9 m-85 -133.83 2.27 3.4 Favored 'General case' 0 CA--C 1.531 0.246 0 C-N-CA 123.069 0.547 . . . . 0.0 111.816 -177.993 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 106' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--N 1.339 0.706 0 N-CA-C 111.586 -0.606 . . . . 0.0 111.586 179.622 . . . . . . . . 0 0 . 1 . 020 nuclear build full ' B' B ' 1' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.419 -2.862 0 O4'-C1'-N19 111.936 3.736 . 0.0 '__' . 0.0 . . . . . . . . . . 0 0 . 1 . 020 nuclear build full ' B' B ' 2' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.419 -2.85 1 O4'-C1'-N19 112.498 4.298 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 3' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.418 -2.919 0 O4'-C1'-N19 110.888 2.688 . 0.258 0b . 0.0 . . . . . . . . . . 0 0 . 1 . 020 nuclear build full ' B' B ' 4' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.42 -2.71 1 O4'-C1'-N19 112.876 4.676 . 0.055 4b . 0.0 . . . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 5' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.424 -2.419 1 O4'-C1'-N19 113.412 5.212 . 0.554 2u . 0.0 . . . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 4' ' ' ASN . . . . . . . . . . . . . 58.9 t30 . . . . . 0 CA--C 1.533 0.312 0 CA-C-O 120.4 0.143 . . . . 0.0 111.081 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 86.0 t -94.53 132.39 38.69 Favored 'Isoleucine or valine' 0 N--CA 1.457 -0.097 0 C-N-CA 122.907 0.483 . . . . 0.0 111.316 -175.649 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 76.0 p -150.88 6.33 0.52 Allowed 'General case' 0 C--O 1.224 -0.272 0 C-N-CA 123.85 0.86 . . . . 0.0 111.905 -178.065 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 7' ' ' ASN . . . . . . . . . . . . . 37.1 p30 . . . . . 0 CA--C 1.53 0.181 0 N-CA-C 114.244 1.201 . . . . 0.0 114.244 -172.986 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 80.4 p . . . . . 0 N--CA 1.456 -0.165 0 CA-C-O 120.239 0.066 . . . . 0.0 110.983 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 28.5 ttp-105 -101.14 153.42 19.6 Favored 'General case' 0 C--N 1.341 0.2 0 C-N-CA 123.387 0.675 . . . . 0.0 110.016 177.308 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 62.2 t -126.54 130.24 71.74 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.294 0 C-N-CA 123.289 0.636 . . . . 0.0 110.147 178.047 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 18.1 t80 -89.54 131.25 35.65 Favored 'General case' 0 N--CA 1.454 -0.264 0 C-N-CA 123.873 0.869 . . . . 0.0 109.192 174.979 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 55.8 mt -120.73 85.91 0.96 Allowed 'Isoleucine or valine' 0 N--CA 1.456 -0.164 0 N-CA-C 107.973 -1.121 . . . . 0.0 107.973 179.806 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -86.41 175.15 47.49 Favored Glycine 0 CA--C 1.526 0.765 0 N-CA-C 110.883 -0.887 . . . . 0.0 110.883 178.532 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 9.8 t30 51.15 41.71 27.96 Favored 'General case' 0 CA--C 1.533 0.291 0 C-N-CA 123.028 0.531 . . . . 0.0 110.916 179.229 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 56.0 tp -94.14 145.67 24.53 Favored 'General case' 0 N--CA 1.455 -0.202 0 C-N-CA 123.546 0.738 . . . . 0.0 109.862 -179.334 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 64.0 t30 -69.94 -39.23 76.2 Favored 'General case' 0 CA--C 1.527 0.086 0 O-C-N 121.868 -0.52 . . . . 0.0 111.189 -178.903 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 30.9 p 56.59 -5.95 0.03 OUTLIER 'General case' 0 N--CA 1.466 0.358 0 C-N-CA 127.056 2.142 . . . . 0.0 115.457 179.37 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 3.8 mm? -87.98 -16.45 33.72 Favored 'General case' 0 N--CA 1.454 -0.249 0 C-N-CA 123.186 0.594 . . . . 0.0 111.549 177.761 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 61.6 t -126.88 -18.37 2.68 Favored 'Isoleucine or valine' 0 C--O 1.231 0.111 0 C-N-CA 122.531 0.332 . . . . 0.0 110.57 179.562 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 60.8 t -111.2 135.09 51.45 Favored 'Isoleucine or valine' 0 C--O 1.231 0.125 0 O-C-N 122.099 -0.376 . . . . 0.0 110.34 177.569 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 3.9 mptp? -129.88 174.25 9.92 Favored 'General case' 0 CA--C 1.523 -0.064 0 C-N-CA 123.912 0.885 . . . . 0.0 109.855 -178.17 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 11.3 ptmt -65.5 -6.2 10.0 Favored 'General case' 0 CA--C 1.529 0.17 0 C-N-CA 123.777 0.831 . . . . 0.0 112.494 -179.485 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 43.8 m -98.58 0.47 44.96 Favored 'General case' 0 N--CA 1.455 -0.216 0 C-N-CA 123.343 0.657 . . . . 0.0 110.534 175.183 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 26.2 m-20 -117.19 -34.41 4.36 Favored 'General case' 0 N--CA 1.454 -0.27 0 C-N-CA 123.914 0.886 . . . . 0.0 110.743 -179.755 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 33' ' ' VAL . . . . . 0.403 HG13 ' CD1' ' A' ' 37' ' ' PHE . 92.6 t -64.65 -31.32 53.2 Favored 'Isoleucine or valine' 0 CA--C 1.527 0.089 0 N-CA-C 109.107 -0.701 . . . . 0.0 109.107 178.894 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 25.5 pt-20 -79.52 7.26 8.5 Favored 'General case' 0 CA--C 1.53 0.201 0 C-N-CA 122.499 0.319 . . . . 0.0 111.719 178.63 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -125.07 -8.4 7.13 Favored 'General case' 0 CA--C 1.531 0.247 0 C-N-CA 123.337 0.655 . . . . 0.0 110.942 176.18 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 72.0 mt -108.96 -27.46 2.93 Favored 'Isoleucine or valine' 0 CA--C 1.531 0.214 0 C-N-CA 123.084 0.554 . . . . 0.0 111.068 178.704 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 37' ' ' PHE . . . . . 0.403 ' CD1' HG13 ' A' ' 33' ' ' VAL . 60.4 m-85 -103.55 -6.76 21.41 Favored 'General case' 0 CA--C 1.529 0.15 0 C-N-CA 122.797 0.439 . . . . 0.0 110.839 179.807 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 71.2 p -74.91 -13.96 60.6 Favored 'General case' 0 N--CA 1.457 -0.107 0 C-N-CA 122.561 0.345 . . . . 0.0 111.511 -179.732 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 18.6 ptmt -81.9 -11.52 58.87 Favored 'General case' 0 CA--C 1.531 0.24 0 C-N-CA 123.25 0.62 . . . . 0.0 112.094 179.554 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 40' ' ' TYR . . . . . . . . . . . . . 67.8 m-85 -106.48 -15.63 14.75 Favored 'General case' 0 CA--C 1.53 0.175 0 C-N-CA 122.416 0.286 . . . . 0.0 111.33 178.168 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -174.49 161.81 31.79 Favored Glycine 0 CA--C 1.521 0.453 0 N-CA-C 111.891 -0.484 . . . . 0.0 111.891 174.671 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 77.6 tttt -73.08 114.46 11.28 Favored 'General case' 0 N--CA 1.451 -0.409 0 N-CA-C 108.991 -0.744 . . . . 0.0 108.991 177.422 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 43' ' ' ILE . . . . . . . . . . . . . 77.9 mt -83.33 129.65 37.12 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.264 0 N-CA-C 109.509 -0.552 . . . . 0.0 109.509 -178.17 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 33.8 m -109.15 -4.89 10.79 Favored 'Isoleucine or valine' 0 CA--C 1.527 0.066 0 C-N-CA 123.073 0.549 . . . . 0.0 110.508 179.108 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . -173.1 147.76 9.9 Favored Glycine 0 C--N 1.337 0.612 0 N-CA-C 109.78 -1.328 . . . . 0.0 109.78 177.167 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 46' ' ' CYS . . . . . . . . . . . . . 50.6 t -152.56 145.8 24.7 Favored 'General case' 0 N--CA 1.452 -0.369 0 N-CA-C 109.913 -0.403 . . . . 0.0 109.913 179.338 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 91.7 p -149.14 146.99 27.94 Favored 'General case' 0 N--CA 1.451 -0.377 0 N-CA-C 109.755 -0.461 . . . . 0.0 109.755 177.29 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 48' ' ' VAL . . . . . . . . . . . . . 94.5 t -124.41 147.01 29.04 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.158 0 N-CA-C 109.158 -0.682 . . . . 0.0 109.158 175.628 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 49' ' ' HIS . . . . . . . . . . . . . 45.8 m-70 -136.25 -166.53 1.89 Allowed 'General case' 0 N--CA 1.449 -0.489 0 C-N-CA 124.239 1.016 . . . . 0.0 108.265 -176.042 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 75.5 mmtt -87.13 116.89 25.5 Favored 'General case' 0 C--O 1.232 0.145 0 CA-C-N 118.433 0.56 . . . . 0.0 110.035 177.441 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 80.81 -9.39 52.36 Favored Glycine 0 CA--C 1.53 0.987 0 C-N-CA 123.842 0.734 . . . . 0.0 113.608 178.088 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 50.6 p90 -149.96 168.19 24.52 Favored 'General case' 0 CA--C 1.53 0.174 0 CA-C-N 118.827 1.314 . . . . 0.0 111.672 178.795 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -148.51 170.75 17.36 Favored 'General case' 0 N--CA 1.455 -0.207 0 C-N-CA 123.865 0.866 . . . . 0.0 110.129 176.403 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 54' ' ' PHE . . . . . . . . . . . . . 21.7 m-85 -138.24 145.98 42.01 Favored 'General case' 0 N--CA 1.453 -0.284 0 C-N-CA 123.762 0.825 . . . . 0.0 110.4 179.268 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 96.6 t -134.81 136.65 51.95 Favored 'Isoleucine or valine' 0 CA--C 1.518 -0.251 0 N-CA-C 108.834 -0.802 . . . . 0.0 108.834 177.813 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 56' ' ' GLN . . . . . . . . . . . . . 61.1 tp60 -116.16 128.33 55.54 Favored 'General case' 0 N--CA 1.449 -0.507 0 N-CA-C 109.307 -0.627 . . . . 0.0 109.307 -176.675 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 57' ' ' TYR . . . . . . . . . . . . . 37.7 m-85 -111.69 175.97 5.21 Favored 'General case' 0 N--CA 1.454 -0.246 0 C-N-CA 123.473 0.709 . . . . 0.0 110.907 -179.706 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 58' ' ' VAL . . . . . . . . . . . . . 79.4 t -72.68 -29.98 32.02 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.251 0 CA-C-N 115.982 -0.553 . . . . 0.0 110.486 179.056 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 59' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -156.89 169.33 25.02 Favored 'General case' 0 N--CA 1.455 -0.224 0 N-CA-C 112.257 0.465 . . . . 0.0 112.257 177.901 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 61.5 tt0 -58.96 -31.61 68.88 Favored 'General case' 0 N--CA 1.455 -0.184 0 C-N-CA 123.263 0.625 . . . . 0.0 111.969 -178.173 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 19.2 tpp180 -59.48 -38.72 81.59 Favored 'General case' 0 N--CA 1.462 0.138 0 CA-C-N 118.941 0.791 . . . . 0.0 110.227 -179.187 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 62' ' ' ASN . . . . . . . . . . . . . 19.1 m120 -70.52 -25.8 63.29 Favored 'General case' 0 N--CA 1.452 -0.364 0 C-N-CA 120.877 -0.329 . . . . 0.0 110.862 179.881 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -74.99 -35.36 62.03 Favored 'General case' 0 N--CA 1.454 -0.259 0 N-CA-C 110.029 -0.36 . . . . 0.0 110.029 178.365 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 64' ' ' ARG . . . . . . . . . . . . . 38.8 mmt180 -69.38 -27.33 65.22 Favored 'General case' 0 N--CA 1.462 0.15 0 N-CA-C 110.261 -0.274 . . . . 0.0 110.261 178.585 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -78.35 -32.7 49.22 Favored 'General case' 0 N--CA 1.454 -0.253 0 O-C-N 122.545 -0.097 . . . . 0.0 110.855 -178.895 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -83.84 -34.5 24.65 Favored 'General case' 0 N--CA 1.454 -0.249 0 O-C-N 122.239 -0.288 . . . . 0.0 111.574 179.736 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 67' ' ' VAL . . . . . . . . . . . . . 48.4 t -65.38 -31.53 54.25 Favored 'Isoleucine or valine' 0 N--CA 1.457 -0.094 0 N-CA-C 110.003 -0.369 . . . . 0.0 110.003 175.479 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -95.26 -9.38 33.34 Favored 'General case' 0 CA--C 1.53 0.185 0 N-CA-C 112.189 0.44 . . . . 0.0 112.189 177.901 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . -102.0 -14.59 28.49 Favored Glycine 0 CA--C 1.53 0.97 0 CA-C-O 119.302 -0.721 . . . . 0.0 113.972 -178.082 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 43.1 mm-40 -132.38 -19.3 2.46 Favored 'General case' 0 CA--C 1.528 0.124 0 CA-C-N 118.559 1.179 . . . . 0.0 112.394 -173.939 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 20.7 t70 -61.47 118.16 6.64 Favored 'General case' 0 N--CA 1.455 -0.22 0 O-C-N 121.076 -1.015 . . . . 0.0 109.649 178.252 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . 87.67 9.69 71.39 Favored Glycine 0 C--N 1.338 0.641 0 N-CA-C 111.311 -0.716 . . . . 0.0 111.311 179.064 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 73' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -75.91 169.53 17.97 Favored 'General case' 0 N--CA 1.451 -0.397 0 N-CA-C 106.604 -1.628 . . . . 0.0 106.604 171.83 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 74' ' ' MET . . . . . . . . . . . . . 31.6 ttm -115.21 120.26 39.12 Favored 'General case' 0 N--CA 1.449 -0.497 0 N-CA-C 108.885 -0.783 . . . . 0.0 108.885 -176.734 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 75' ' ' ILE . . . . . . . . . . . . . 0.2 OUTLIER -127.35 136.23 61.17 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.418 0 N-CA-C 109.556 -0.535 . . . . 0.0 109.556 179.594 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . 54.46 18.77 2.07 Favored 'General case' 0 CA--C 1.533 0.309 0 C-N-CA 123.416 0.686 . . . . 0.0 111.872 -174.256 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 88.33 5.58 75.66 Favored Glycine 0 CA--C 1.528 0.861 0 CA-C-O 119.848 -0.418 . . . . 0.0 112.163 -179.22 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 78' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -126.07 134.28 51.44 Favored 'General case' 0 N--CA 1.452 -0.332 0 CA-C-N 117.861 0.83 . . . . 0.0 110.419 -179.832 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 79' ' ' VAL . . . . . . . . . . . . . 76.6 t -63.12 141.78 17.66 Favored 'Isoleucine or valine' 0 N--CA 1.461 0.101 0 C-N-CA 124.46 1.104 . . . . 0.0 110.98 -178.919 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 30.3 mt -97.16 155.7 16.72 Favored 'General case' 0 N--CA 1.456 -0.132 0 CA-C-O 120.81 0.338 . . . . 0.0 111.226 175.829 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 81' ' ' ASP . . . . . . . . . . . . . 36.9 t70 -122.75 102.94 8.33 Favored 'General case' 0 N--CA 1.454 -0.246 0 N-CA-C 107.584 -1.265 . . . . 0.0 107.584 173.981 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 82' ' ' ILE . . . . . . . . . . . . . 59.4 mt -116.45 139.37 43.52 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.189 0 CA-C-N 115.942 -0.572 . . . . 0.0 110.142 -170.739 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 83' ' ' ASN . . . . . . . . . . . . . 2.9 t30 -155.26 161.59 41.1 Favored 'General case' 0 N--CA 1.452 -0.365 0 C-N-CA 122.818 0.447 . . . . 0.0 109.915 -175.255 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 84' ' ' LEU . . . . . . . . . . . . . 6.1 tp -60.12 146.44 43.18 Favored 'General case' 0 N--CA 1.452 -0.367 0 N-CA-C 109.141 -0.688 . . . . 0.0 109.141 173.704 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.534 0.337 0 N-CA-C 113.24 0.83 . . . . 0.0 113.24 -177.739 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A ' 98' ' ' LYS . . . . . . . . . . . . . 35.5 mmtp . . . . . 0 CA--C 1.529 0.171 0 CA-C-O 120.536 0.208 . . . . 0.0 110.956 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A ' 99' ' ' ARG . . . . . 0.411 ' HG3' ' H ' ' A' ' 100' ' ' SER . 19.9 tpt180 -100.59 177.77 4.91 Favored 'General case' 0 C--N 1.333 -0.117 0 C-N-CA 124.25 1.02 . . . . 0.0 109.124 -179.632 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 100' ' ' SER . . . . . 0.411 ' H ' ' HG3' ' A' ' 99' ' ' ARG . 69.3 m -59.94 -18.27 43.94 Favored 'General case' 0 N--CA 1.455 -0.215 0 C-N-CA 122.939 0.496 . . . . 0.0 111.962 177.83 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 101' ' ' ALA . . . . . . . . . . . . . . . 52.13 17.72 0.74 Allowed 'General case' 0 CA--C 1.534 0.349 0 C-N-CA 124.084 0.954 . . . . 0.0 112.242 -177.213 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -148.16 7.95 0.82 Allowed 'General case' 0 N--CA 1.452 -0.327 0 C-N-CA 123.492 0.717 . . . . 0.0 111.45 -177.925 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 18.7 pt-20 -71.64 -6.15 38.87 Favored 'General case' 0 CA--C 1.532 0.251 0 N-CA-C 111.922 0.342 . . . . 0.0 111.922 -177.57 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 104' ' ' MET . . . . . . . . . . . . . 72.7 mtm -103.74 6.65 36.97 Favored 'General case' 0 CA--C 1.529 0.163 0 C-N-CA 123.846 0.858 . . . . 0.0 111.135 178.356 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 105' ' ' TYR . . . . . . . . . . . . . 60.3 m-85 -129.0 5.15 5.35 Favored 'General case' 0 CA--C 1.532 0.276 0 C-N-CA 123.171 0.588 . . . . 0.0 111.245 -177.675 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 106' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--N 1.336 0.555 0 N-CA-C 110.948 -0.861 . . . . 0.0 110.948 -179.719 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' A' A ' 4' ' ' ASN . . . . . . . . . . . . . 3.4 p-10 . . . . . 0 CA--C 1.532 0.257 0 N-CA-C 111.307 0.114 . . . . 0.0 111.307 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 90.5 t -99.79 136.18 32.14 Favored 'Isoleucine or valine' 0 C--O 1.233 0.213 0 C-N-CA 122.839 0.455 . . . . 0.0 111.117 -176.02 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 67.6 p -149.02 7.72 0.72 Allowed 'General case' 0 CA--C 1.529 0.147 0 C-N-CA 123.546 0.739 . . . . 0.0 111.955 -178.261 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 7' ' ' ASN . . . . . . . . . . . . . 45.4 t30 . . . . . 0 CA--C 1.534 0.342 0 O-C-N 121.171 -0.956 . . . . 0.0 112.715 -173.935 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 78.2 p . . . . . 0 CA--C 1.53 0.196 0 N-CA-C 111.009 0.003 . . . . 0.0 111.009 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 26.3 ttp-105 -100.67 151.59 21.46 Favored 'General case' 0 C--N 1.339 0.116 0 C-N-CA 123.345 0.658 . . . . 0.0 110.095 177.753 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 74.6 t -126.21 129.41 72.09 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.249 0 C-N-CA 123.207 0.603 . . . . 0.0 110.067 178.143 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 14.1 t80 -88.19 133.15 34.1 Favored 'General case' 0 N--CA 1.451 -0.376 0 N-CA-C 109.157 -0.682 . . . . 0.0 109.157 175.232 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 60.3 mt -120.91 84.63 0.86 Allowed 'Isoleucine or valine' 0 N--CA 1.457 -0.122 0 N-CA-C 108.002 -1.11 . . . . 0.0 108.002 179.184 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -85.13 173.92 48.88 Favored Glycine 0 CA--C 1.524 0.61 0 N-CA-C 110.928 -0.869 . . . . 0.0 110.928 178.389 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 64.8 t30 49.42 47.23 22.68 Favored 'General case' 0 CA--C 1.533 0.291 0 C-N-CA 122.97 0.508 . . . . 0.0 110.916 -179.1 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 57.8 tp -98.7 144.75 27.62 Favored 'General case' 0 N--CA 1.453 -0.284 0 C-N-CA 123.327 0.651 . . . . 0.0 109.391 179.982 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 65.5 t30 -69.41 -42.3 75.25 Favored 'General case' 0 CA--C 1.53 0.197 0 CA-C-N 117.774 0.261 . . . . 0.0 110.946 -178.194 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 31.1 p 59.06 -7.2 0.05 OUTLIER 'General case' 0 N--CA 1.468 0.466 0 C-N-CA 127.125 2.17 . . . . 0.0 115.094 179.167 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 70.6 mt -79.63 -25.57 41.38 Favored 'General case' 0 N--CA 1.452 -0.33 0 CA-C-N 118.25 0.477 . . . . 0.0 111.661 175.862 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 49.3 t -119.68 -23.35 3.46 Favored 'Isoleucine or valine' 0 CA--C 1.531 0.237 0 C-N-CA 122.828 0.451 . . . . 0.0 111.627 -177.763 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 48.3 t -103.29 142.15 17.71 Favored 'Isoleucine or valine' 0 C--O 1.232 0.138 0 CA-C-N 118.107 0.412 . . . . 0.0 109.93 178.341 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 2.3 mptp? -134.45 172.95 12.19 Favored 'General case' 0 C--N 1.339 0.133 0 C-N-CA 123.66 0.784 . . . . 0.0 109.9 -178.51 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 11.3 ptmt -65.45 -6.47 10.55 Favored 'General case' 0 C--O 1.226 -0.158 0 C-N-CA 124.029 0.932 . . . . 0.0 112.102 179.586 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 36.6 m -98.0 -0.45 44.66 Favored 'General case' 0 CA--C 1.531 0.225 0 C-N-CA 123.566 0.746 . . . . 0.0 110.774 175.232 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 23.1 m-20 -115.54 -33.92 5.06 Favored 'General case' 0 N--CA 1.453 -0.314 0 C-N-CA 124.096 0.959 . . . . 0.0 110.659 179.89 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 75.0 t -62.72 -32.86 57.1 Favored 'Isoleucine or valine' 0 CA--C 1.528 0.124 0 N-CA-C 109.318 -0.623 . . . . 0.0 109.318 178.199 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 19.9 pt-20 -78.62 7.77 6.32 Favored 'General case' 0 CA--C 1.53 0.183 0 N-CA-C 112.033 0.383 . . . . 0.0 112.033 178.301 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -126.53 -7.52 6.3 Favored 'General case' 0 CA--C 1.532 0.259 0 C-N-CA 123.275 0.63 . . . . 0.0 111.007 176.919 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 80.5 mt -110.57 -26.92 2.99 Favored 'Isoleucine or valine' 0 CA--C 1.528 0.117 0 C-N-CA 123.071 0.548 . . . . 0.0 110.861 179.409 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 37' ' ' PHE . . . . . . . . . . . . . 67.2 m-85 -105.71 -5.88 19.59 Favored 'General case' 0 N--CA 1.455 -0.209 0 C-N-CA 122.492 0.317 . . . . 0.0 110.977 179.955 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 68.2 p -75.69 -14.37 60.35 Favored 'General case' 0 CA--C 1.524 -0.055 0 C-N-CA 122.621 0.369 . . . . 0.0 111.463 179.505 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 18.7 ptmt -81.69 -10.97 59.25 Favored 'General case' 0 CA--C 1.531 0.212 0 C-N-CA 123.022 0.529 . . . . 0.0 112.299 179.399 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 40' ' ' TYR . . . . . . . . . . . . . 68.9 m-85 -106.95 -14.38 14.97 Favored 'General case' 0 C--N 1.338 0.108 0 CA-C-N 117.867 0.303 . . . . 0.0 111.432 178.194 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -176.56 163.63 32.86 Favored Glycine 0 CA--C 1.523 0.573 0 N-CA-C 111.914 -0.475 . . . . 0.0 111.914 174.865 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 78.0 tttt -74.24 112.96 10.9 Favored 'General case' 0 N--CA 1.454 -0.26 0 N-CA-C 108.71 -0.848 . . . . 0.0 108.71 177.99 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 43' ' ' ILE . . . . . . . . . . . . . 74.4 mt -81.89 130.08 36.4 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.354 0 N-CA-C 109.545 -0.539 . . . . 0.0 109.545 -179.223 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 34.0 m -108.87 -8.42 11.19 Favored 'Isoleucine or valine' 0 C--O 1.228 -0.043 0 C-N-CA 123.3 0.64 . . . . 0.0 110.622 178.549 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . -169.63 148.65 12.16 Favored Glycine 0 CA--C 1.524 0.626 0 N-CA-C 109.85 -1.3 . . . . 0.0 109.85 177.621 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 46' ' ' CYS . . . . . . . . . . . . . 26.4 p -153.14 152.47 31.31 Favored 'General case' 0 N--CA 1.449 -0.48 0 CA-C-N 116.95 0.375 . . . . 0.0 110.042 179.913 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 96.4 p -155.54 149.81 25.84 Favored 'General case' 0 N--CA 1.454 -0.272 0 CA-C-O 120.957 0.408 . . . . 0.0 110.102 177.187 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 48' ' ' VAL . . . . . . . . . . . . . 98.6 t -125.94 146.36 31.85 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.235 0 N-CA-C 108.947 -0.76 . . . . 0.0 108.947 175.391 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 49' ' ' HIS . . . . . . . . . . . . . 51.4 m-70 -134.38 -166.06 1.75 Allowed 'General case' 0 N--CA 1.446 -0.635 0 C-N-CA 124.298 1.039 . . . . 0.0 108.39 -176.619 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 75.5 mmtt -87.74 116.62 26.02 Favored 'General case' 0 N--CA 1.457 -0.112 0 O-C-N 122.002 -0.436 . . . . 0.0 109.904 176.26 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 81.4 -7.84 60.05 Favored Glycine 0 CA--C 1.531 1.048 0 CA-C-O 119.107 -0.829 . . . . 0.0 113.77 178.238 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 44.1 p90 -152.82 171.95 17.47 Favored 'General case' 0 CA--C 1.528 0.111 0 CA-C-N 119.058 1.429 . . . . 0.0 111.703 178.543 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -150.63 172.55 15.35 Favored 'General case' 0 N--CA 1.453 -0.286 0 C-N-CA 124.092 0.957 . . . . 0.0 110.214 177.479 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 54' ' ' PHE . . . . . . . . . . . . . 12.2 m-85 -140.05 147.6 40.56 Favored 'General case' 0 N--CA 1.454 -0.258 0 C-N-CA 123.777 0.831 . . . . 0.0 110.702 178.852 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 93.9 t -135.51 138.3 48.41 Favored 'Isoleucine or valine' 0 CA--C 1.517 -0.315 0 C-N-CA 123.665 0.786 . . . . 0.0 109.368 177.55 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 56' ' ' GLN . . . . . . . . . . . . . 62.9 tp60 -117.99 129.58 55.67 Favored 'General case' 0 N--CA 1.451 -0.408 0 N-CA-C 109.381 -0.6 . . . . 0.0 109.381 -177.572 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 57' ' ' TYR . . . . . . . . . . . . . 44.2 m-85 -112.43 176.11 5.15 Favored 'General case' 0 N--CA 1.455 -0.176 0 C-N-CA 123.426 0.69 . . . . 0.0 111.043 -179.976 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 58' ' ' VAL . . . . . . . . . . . . . 77.5 t -72.32 -31.34 38.44 Favored 'Isoleucine or valine' 0 CA--C 1.528 0.112 0 CA-C-N 116.36 -0.382 . . . . 0.0 110.273 178.539 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 59' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -155.33 168.68 26.29 Favored 'General case' 0 N--CA 1.453 -0.294 0 N-CA-C 112.108 0.41 . . . . 0.0 112.108 178.734 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 84.9 tt0 -59.01 -30.94 68.37 Favored 'General case' 0 CA--C 1.53 0.175 0 C-N-CA 123.75 0.82 . . . . 0.0 112.321 -178.184 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 23.0 tpt180 -59.11 -39.32 81.91 Favored 'General case' 0 CA--C 1.52 -0.193 0 CA-C-N 119.064 0.847 . . . . 0.0 110.067 179.619 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 62' ' ' ASN . . . . . . . . . . . . . 19.5 m120 -71.22 -25.72 62.62 Favored 'General case' 0 N--CA 1.448 -0.564 0 C-N-CA 120.943 -0.303 . . . . 0.0 110.904 -179.481 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -74.82 -38.01 62.17 Favored 'General case' 0 N--CA 1.451 -0.414 0 N-CA-C 110.439 -0.208 . . . . 0.0 110.439 177.778 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 64' ' ' ARG . . . . . . . . . . . . . 36.8 mmt180 -68.57 -26.15 65.26 Favored 'General case' 0 C--N 1.337 0.05 0 O-C-N 122.405 -0.184 . . . . 0.0 110.737 179.141 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -80.27 -32.39 38.24 Favored 'General case' 0 N--CA 1.455 -0.186 0 CA-C-N 117.512 0.142 . . . . 0.0 111.06 -179.616 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -81.71 -35.08 30.2 Favored 'General case' 0 N--CA 1.451 -0.39 0 O-C-N 122.435 -0.166 . . . . 0.0 111.082 179.015 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 67' ' ' VAL . . . . . . . . . . . . . 44.3 t -65.04 -34.2 68.97 Favored 'Isoleucine or valine' 0 C--O 1.227 -0.128 0 N-CA-C 110.022 -0.362 . . . . 0.0 110.022 175.604 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -91.14 -10.66 41.05 Favored 'General case' 0 N--CA 1.457 -0.121 0 N-CA-C 112.03 0.381 . . . . 0.0 112.03 178.585 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . -101.77 -13.91 30.86 Favored Glycine 0 CA--C 1.529 0.96 0 CA-C-O 119.263 -0.743 . . . . 0.0 113.878 -178.032 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 45.5 mm-40 -133.08 -20.69 2.15 Favored 'General case' 0 N--CA 1.464 0.257 0 CA-C-N 118.714 1.257 . . . . 0.0 112.476 -173.683 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 19.5 t0 -61.74 117.88 6.41 Favored 'General case' 0 N--CA 1.454 -0.249 0 CA-C-N 119.185 0.902 . . . . 0.0 110.192 178.816 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . 87.62 9.88 71.2 Favored Glycine 0 CA--C 1.523 0.54 0 N-CA-C 110.96 -0.856 . . . . 0.0 110.96 179.523 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 73' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -75.38 169.8 17.35 Favored 'General case' 0 N--CA 1.453 -0.279 0 N-CA-C 106.289 -1.745 . . . . 0.0 106.289 171.727 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 74' ' ' MET . . . . . . . . . . . . . 33.3 ttm -115.3 120.57 40.09 Favored 'General case' 0 N--CA 1.448 -0.526 0 N-CA-C 109.139 -0.689 . . . . 0.0 109.139 -176.945 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 75' ' ' ILE . . . . . . . . . . . . . 0.2 OUTLIER -127.76 135.68 62.41 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.317 0 CA-C-N 115.975 -0.557 . . . . 0.0 109.541 179.437 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . 54.54 17.44 1.64 Allowed 'General case' 0 CA--C 1.536 0.412 0 C-N-CA 123.181 0.592 . . . . 0.0 112.291 -174.391 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 89.92 4.4 72.32 Favored Glycine 0 CA--C 1.527 0.794 0 CA-C-O 119.647 -0.529 . . . . 0.0 112.072 -179.476 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 78' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -124.7 131.94 53.42 Favored 'General case' 0 N--CA 1.449 -0.508 0 CA-C-N 117.775 0.788 . . . . 0.0 110.335 -179.726 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 79' ' ' VAL . . . . . . . . . . . . . 48.5 t -63.93 140.7 19.25 Favored 'Isoleucine or valine' 0 CA--C 1.522 -0.101 0 C-N-CA 124.372 1.069 . . . . 0.0 110.323 -178.733 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 30.6 mt -94.73 156.48 16.37 Favored 'General case' 0 C--O 1.23 0.071 0 CA-C-O 120.853 0.358 . . . . 0.0 111.347 177.433 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 81' ' ' ASP . . . . . . . . . . . . . 36.1 t70 -122.52 98.25 5.83 Favored 'General case' 0 N--CA 1.452 -0.374 0 N-CA-C 108.193 -1.04 . . . . 0.0 108.193 176.306 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 82' ' ' ILE . . . . . . . . . . . . . 64.2 mt -115.31 139.88 39.51 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.23 0 C-N-CA 122.947 0.499 . . . . 0.0 110.566 -170.015 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 83' ' ' ASN . . . . . . . . . . . . . 1.9 p-10 -157.8 165.45 35.29 Favored 'General case' 0 N--CA 1.452 -0.338 0 CA-C-O 121.085 0.469 . . . . 0.0 111.597 -179.624 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 84' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -61.69 130.74 47.28 Favored 'General case' 0 N--CA 1.452 -0.345 0 C-N-CA 124.049 0.94 . . . . 0.0 108.754 175.398 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.532 0.266 0 N-CA-C 114.142 1.164 . . . . 0.0 114.142 -174.544 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' A' A ' 98' ' ' LYS . . . . . . . . . . . . . 60.2 mttm . . . . . 0 C--O 1.231 0.082 0 CA-C-O 120.622 0.249 . . . . 0.0 111.261 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' A' A ' 99' ' ' ARG . . . . . . . . . . . . . 60.4 mtt-85 -133.35 173.74 11.14 Favored 'General case' 0 N--CA 1.454 -0.265 0 C-N-CA 124.48 1.112 . . . . 0.0 111.095 -177.891 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 68.8 m -69.51 -13.86 62.56 Favored 'General case' 0 N--CA 1.452 -0.351 0 C-N-CA 123.125 0.57 . . . . 0.0 111.316 177.997 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 101' ' ' ALA . . . . . . . . . . . . . . . 51.88 18.4 0.78 Allowed 'General case' 0 CA--C 1.532 0.263 0 C-N-CA 124.138 0.975 . . . . 0.0 112.291 -175.777 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -152.57 4.27 0.36 Allowed 'General case' 0 N--CA 1.453 -0.282 0 C-N-CA 123.205 0.602 . . . . 0.0 112.132 -176.55 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 2.5 pm0 -74.45 -4.27 35.64 Favored 'General case' 0 CA--C 1.531 0.249 0 O-C-N 121.809 -0.557 . . . . 0.0 112.241 -176.783 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 104' ' ' MET . . . . . . . . . . . . . 75.2 mtm -111.15 12.35 21.88 Favored 'General case' 0 CA--C 1.531 0.223 0 C-N-CA 123.683 0.793 . . . . 0.0 111.225 179.179 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 105' ' ' TYR . . . . . . . . . . . . . 70.6 m-85 -127.11 2.03 6.48 Favored 'General case' 0 CA--C 1.532 0.257 0 C-N-CA 122.786 0.434 . . . . 0.0 111.546 -178.106 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 106' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--N 1.339 0.706 0 N-CA-C 111.2 -0.76 . . . . 0.0 111.2 179.411 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' A' A ' 4' ' ' ASN . . . . . . . . . . . . . 2.7 p-10 . . . . . 0 CA--C 1.532 0.26 0 N-CA-C 111.912 0.338 . . . . 0.0 111.912 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 92.5 t -101.91 133.84 44.21 Favored 'Isoleucine or valine' 0 N--CA 1.457 -0.085 0 C-N-CA 123.203 0.601 . . . . 0.0 110.903 -176.238 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 47.1 p -147.75 11.49 0.97 Allowed 'General case' 0 CA--C 1.531 0.219 0 C-N-CA 123.401 0.68 . . . . 0.0 112.11 179.956 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 7' ' ' ASN . . . . . . . . . . . . . 64.3 t-20 . . . . . 0 CA--C 1.532 0.256 0 CA-C-N 119.436 1.017 . . . . 0.0 111.811 -178.742 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 16.3 m . . . . . 0 N--CA 1.456 -0.144 0 CA-C-O 120.504 0.192 . . . . 0.0 110.682 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 36.4 ttm180 -113.18 155.39 25.1 Favored 'General case' 0 N--CA 1.452 -0.339 0 C-N-CA 124.714 1.206 . . . . 0.0 109.898 -176.961 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 74.6 t -130.28 131.9 65.3 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.447 0 CA-C-O 120.785 0.326 . . . . 0.0 110.262 178.874 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 26.0 t80 -90.76 133.62 35.04 Favored 'General case' 0 N--CA 1.451 -0.413 0 C-N-CA 123.625 0.77 . . . . 0.0 108.993 174.265 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 59.5 mt -121.21 84.05 0.83 Allowed 'Isoleucine or valine' 0 N--CA 1.456 -0.152 0 N-CA-C 107.765 -1.198 . . . . 0.0 107.765 179.445 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -84.0 173.3 50.42 Favored Glycine 0 CA--C 1.525 0.704 0 N-CA-C 110.75 -0.94 . . . . 0.0 110.75 178.398 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 61.1 t30 49.88 46.53 24.11 Favored 'General case' 0 N--CA 1.453 -0.275 0 C-N-CA 123.001 0.521 . . . . 0.0 110.8 -179.02 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 56.3 tp -98.46 143.9 28.39 Favored 'General case' 0 N--CA 1.454 -0.238 0 N-CA-C 109.418 -0.586 . . . . 0.0 109.418 179.25 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 64.1 t30 -68.84 -36.12 77.78 Favored 'General case' 0 CA--C 1.529 0.168 0 C-N-CA 121.158 -0.217 . . . . 0.0 111.158 -177.148 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 56.2 p 52.68 3.8 0.03 OUTLIER 'General case' 0 N--CA 1.466 0.328 0 C-N-CA 126.592 1.957 . . . . 0.0 115.036 178.645 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 7.0 mp -97.55 -16.28 20.14 Favored 'General case' 0 CA--C 1.531 0.225 0 C-N-CA 123.364 0.666 . . . . 0.0 111.043 176.961 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 58.8 t -125.68 -20.56 2.61 Favored 'Isoleucine or valine' 0 C--O 1.227 -0.089 0 C-N-CA 122.502 0.321 . . . . 0.0 110.564 179.676 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 52.0 t -106.8 141.73 21.33 Favored 'Isoleucine or valine' 0 C--N 1.338 0.073 0 N-CA-C 110.144 -0.317 . . . . 0.0 110.144 177.292 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 2.3 mptp? -134.23 173.44 11.6 Favored 'General case' 0 N--CA 1.456 -0.135 0 C-N-CA 123.673 0.789 . . . . 0.0 109.973 -179.783 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 9.4 ptmt -67.42 -4.1 10.24 Favored 'General case' 0 CA--C 1.528 0.124 0 C-N-CA 123.56 0.744 . . . . 0.0 111.926 179.314 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 39.6 m -97.84 -0.2 45.57 Favored 'General case' 0 CA--C 1.532 0.278 0 C-N-CA 123.648 0.779 . . . . 0.0 110.709 173.819 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 26.8 m-20 -117.21 -33.12 4.77 Favored 'General case' 0 N--CA 1.453 -0.288 0 C-N-CA 124.016 0.926 . . . . 0.0 110.691 -179.248 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 79.2 t -63.05 -31.57 53.09 Favored 'Isoleucine or valine' 0 C--O 1.231 0.083 0 O-C-N 121.799 -0.563 . . . . 0.0 109.569 178.193 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 19.4 pt-20 -78.84 7.04 7.74 Favored 'General case' 0 CA--C 1.53 0.183 0 N-CA-C 111.99 0.367 . . . . 0.0 111.99 178.198 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -126.54 -7.69 6.29 Favored 'General case' 0 N--CA 1.453 -0.275 0 C-N-CA 123.096 0.558 . . . . 0.0 111.382 177.235 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 74.7 mt -109.89 -28.81 2.58 Favored 'Isoleucine or valine' 0 CA--C 1.527 0.083 0 C-N-CA 122.824 0.449 . . . . 0.0 110.811 178.912 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 37' ' ' PHE . . . . . . . . . . . . . 61.3 m-85 -102.17 -9.2 20.69 Favored 'General case' 0 N--CA 1.455 -0.206 0 C-N-CA 122.46 0.304 . . . . 0.0 110.83 179.784 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 66.2 p -72.22 -14.61 61.83 Favored 'General case' 0 C--O 1.231 0.129 0 C-N-CA 122.584 0.354 . . . . 0.0 111.643 -178.801 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 12.8 ptmm? -82.88 -10.0 59.04 Favored 'General case' 0 N--CA 1.455 -0.216 0 C-N-CA 123.202 0.601 . . . . 0.0 112.231 178.91 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 40' ' ' TYR . . . . . . . . . . . . . 86.7 m-85 -106.58 -14.88 14.92 Favored 'General case' 0 C--N 1.339 0.14 0 C-N-CA 122.55 0.34 . . . . 0.0 111.332 177.894 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -176.63 162.09 30.44 Favored Glycine 0 CA--C 1.524 0.622 0 N-CA-C 111.807 -0.517 . . . . 0.0 111.807 174.545 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 79.1 tttt -73.5 113.19 10.32 Favored 'General case' 0 N--CA 1.453 -0.324 0 N-CA-C 108.892 -0.781 . . . . 0.0 108.892 177.742 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 43' ' ' ILE . . . . . . . . . . . . . 73.9 mt -83.05 131.1 34.54 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.395 0 N-CA-C 109.622 -0.51 . . . . 0.0 109.622 -177.983 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 33.4 m -109.2 -8.98 11.32 Favored 'Isoleucine or valine' 0 CA--C 1.527 0.082 0 C-N-CA 123.132 0.573 . . . . 0.0 110.604 178.419 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . -169.01 147.1 10.82 Favored Glycine 0 CA--C 1.525 0.665 0 N-CA-C 109.798 -1.321 . . . . 0.0 109.798 177.635 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 46' ' ' CYS . . . . . . . . . . . . . 27.2 p -152.37 152.96 32.7 Favored 'General case' 0 N--CA 1.451 -0.384 0 N-CA-C 109.817 -0.438 . . . . 0.0 109.817 179.171 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 21.9 t -157.01 151.74 25.71 Favored 'General case' 0 N--CA 1.451 -0.418 0 N-CA-C 110.114 -0.328 . . . . 0.0 110.114 177.009 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 48' ' ' VAL . . . . . . . . . . . . . 98.1 t -127.82 146.51 33.34 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.303 0 N-CA-C 109.127 -0.694 . . . . 0.0 109.127 176.947 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 49' ' ' HIS . . . . . . . . . . . . . 48.6 m-70 -133.47 -163.26 1.33 Allowed 'General case' 0 N--CA 1.451 -0.406 0 N-CA-C 107.7 -1.222 . . . . 0.0 107.7 -176.704 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 57.7 mtpt -91.56 121.12 32.95 Favored 'General case' 0 N--CA 1.454 -0.257 0 CA-C-N 118.312 0.506 . . . . 0.0 109.762 175.1 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 78.87 -9.36 38.19 Favored Glycine 0 CA--C 1.531 1.046 0 CA-C-O 119.182 -0.788 . . . . 0.0 113.558 178.867 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 50.1 p90 -151.58 170.25 20.13 Favored 'General case' 0 C--O 1.231 0.096 0 CA-C-N 119.01 1.405 . . . . 0.0 111.866 178.341 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -149.69 172.0 15.79 Favored 'General case' 0 N--CA 1.452 -0.356 0 C-N-CA 124.304 1.042 . . . . 0.0 110.188 176.72 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 54' ' ' PHE . . . . . . . . . . . . . 17.2 m-85 -139.99 149.17 42.91 Favored 'General case' 0 N--CA 1.454 -0.241 0 C-N-CA 123.516 0.726 . . . . 0.0 110.901 -179.829 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 92.2 t -136.88 146.33 28.57 Favored 'Isoleucine or valine' 0 CA--C 1.518 -0.261 0 C-N-CA 123.853 0.861 . . . . 0.0 108.926 177.532 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 56' ' ' GLN . . . . . . . . . . . . . 67.9 tp60 -126.45 133.27 51.26 Favored 'General case' 0 N--CA 1.45 -0.445 0 N-CA-C 109.161 -0.681 . . . . 0.0 109.161 -179.82 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 57' ' ' TYR . . . . . . . . . . . . . 51.6 m-85 -115.51 175.42 5.53 Favored 'General case' 0 N--CA 1.454 -0.27 0 C-N-CA 123.609 0.764 . . . . 0.0 110.853 -179.054 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 58' ' ' VAL . . . . . . . . . . . . . 77.0 t -71.07 -30.04 39.37 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.276 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.297 179.399 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 59' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -157.55 168.48 27.17 Favored 'General case' 0 N--CA 1.454 -0.236 0 CA-C-O 120.798 0.332 . . . . 0.0 111.879 177.202 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 65.0 tt0 -57.12 -31.74 65.61 Favored 'General case' 0 N--CA 1.455 -0.188 0 C-N-CA 123.578 0.751 . . . . 0.0 112.559 -178.802 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 25.5 tpt180 -58.55 -40.05 81.93 Favored 'General case' 0 N--CA 1.462 0.17 0 CA-C-N 118.965 0.802 . . . . 0.0 110.042 -179.506 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 62' ' ' ASN . . . . . . . . . . . . . 18.8 m120 -71.16 -25.04 62.38 Favored 'General case' 0 N--CA 1.45 -0.442 0 C-N-CA 120.704 -0.398 . . . . 0.0 110.73 -179.349 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -76.18 -36.69 58.57 Favored 'General case' 0 N--CA 1.454 -0.262 0 O-C-N 122.291 -0.256 . . . . 0.0 110.377 177.785 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 64' ' ' ARG . . . . . . . . . . . . . 41.4 mmt180 -68.01 -26.42 65.89 Favored 'General case' 0 N--CA 1.462 0.137 0 N-CA-C 110.33 -0.248 . . . . 0.0 110.33 178.132 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -80.36 -33.21 37.44 Favored 'General case' 0 N--CA 1.452 -0.341 0 C-N-CA 121.921 0.088 . . . . 0.0 110.796 -178.468 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -80.64 -35.78 33.47 Favored 'General case' 0 N--CA 1.453 -0.317 0 O-C-N 122.277 -0.265 . . . . 0.0 111.225 178.415 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 67' ' ' VAL . . . . . . . . . . . . . 44.0 t -63.99 -33.66 63.61 Favored 'Isoleucine or valine' 0 C--O 1.226 -0.134 0 N-CA-C 109.879 -0.415 . . . . 0.0 109.879 175.646 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -91.53 -9.89 42.69 Favored 'General case' 0 N--CA 1.452 -0.362 0 O-C-N 121.973 -0.454 . . . . 0.0 112.117 178.09 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . -102.53 -14.35 27.9 Favored Glycine 0 CA--C 1.531 1.039 0 CA-C-O 119.05 -0.861 . . . . 0.0 113.749 -177.158 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 70' ' ' GLU . . . . . 0.4 ' CD ' ' HE ' ' A' ' 73' ' ' ARG . 24.7 mm-40 -133.26 -19.6 2.18 Favored 'General case' 0 N--CA 1.462 0.131 0 CA-C-N 118.803 1.302 . . . . 0.0 112.816 -174.041 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 19.4 t0 -62.34 117.05 5.6 Favored 'General case' 0 N--CA 1.455 -0.194 0 O-C-N 121.146 -0.971 . . . . 0.0 110.042 179.055 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . 87.79 10.22 70.13 Favored Glycine 0 C--N 1.339 0.696 0 N-CA-C 111.103 -0.799 . . . . 0.0 111.103 179.553 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 73' ' ' ARG . . . . . 0.4 ' HE ' ' CD ' ' A' ' 70' ' ' GLU . 0.1 OUTLIER -76.32 168.67 19.64 Favored 'General case' 0 N--CA 1.453 -0.319 0 N-CA-C 106.543 -1.651 . . . . 0.0 106.543 171.681 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 74' ' ' MET . . . . . . . . . . . . . 32.5 ttm -113.65 122.35 46.92 Favored 'General case' 0 N--CA 1.451 -0.421 0 N-CA-C 109.178 -0.675 . . . . 0.0 109.178 -176.73 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 75' ' ' ILE . . . . . . . . . . . . . 0.3 OUTLIER -130.18 136.26 59.07 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.331 0 CA-C-N 115.838 -0.619 . . . . 0.0 109.538 179.605 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . 54.49 18.05 1.83 Allowed 'General case' 0 CA--C 1.533 0.314 0 C-N-CA 123.186 0.595 . . . . 0.0 112.117 -174.271 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 88.71 4.33 76.1 Favored Glycine 0 CA--C 1.528 0.846 0 CA-C-O 119.68 -0.511 . . . . 0.0 112.435 -178.852 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 78' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -125.08 132.69 53.12 Favored 'General case' 0 N--CA 1.45 -0.457 0 CA-C-N 117.783 0.792 . . . . 0.0 110.313 -179.354 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 79' ' ' VAL . . . . . . . . . . . . . 49.1 t -64.23 141.29 18.38 Favored 'Isoleucine or valine' 0 N--CA 1.46 0.073 0 C-N-CA 124.248 1.019 . . . . 0.0 110.585 -179.137 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 30.6 mt -95.15 158.13 15.59 Favored 'General case' 0 CA--C 1.523 -0.058 0 CA-C-O 120.756 0.313 . . . . 0.0 111.399 177.02 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 81' ' ' ASP . . . . . . . . . . . . . 25.5 t0 -123.12 100.94 7.12 Favored 'General case' 0 N--CA 1.453 -0.312 0 N-CA-C 108.041 -1.096 . . . . 0.0 108.041 175.219 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 82' ' ' ILE . . . . . . . . . . . . . 64.8 mt -117.11 138.97 46.04 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.226 0 C-N-CA 123.099 0.56 . . . . 0.0 110.713 -170.435 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 83' ' ' ASN . . . . . . . . . . . . . 2.0 p-10 -159.3 167.18 29.56 Favored 'General case' 0 N--CA 1.456 -0.159 0 C-N-CA 123.218 0.607 . . . . 0.0 109.711 177.821 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 84' ' ' LEU . . . . . . . . . . . . . 3.4 tp -59.78 140.1 56.8 Favored 'General case' 0 N--CA 1.452 -0.369 0 N-CA-C 109.587 -0.523 . . . . 0.0 109.587 176.968 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.531 0.227 0 N-CA-C 112.719 0.637 . . . . 0.0 112.719 -178.152 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' A' A ' 98' ' ' LYS . . . . . . . . . . . . . 90.0 mttt . . . . . 0 CA--C 1.529 0.139 0 CA-C-O 120.771 0.319 . . . . 0.0 110.441 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' A' A ' 99' ' ' ARG . . . . . 0.455 ' HG3' ' H ' ' A' ' 100' ' ' SER . 19.1 tpt180 -127.39 175.19 8.39 Favored 'General case' 0 CA--C 1.529 0.162 0 C-N-CA 124.262 1.025 . . . . 0.0 109.123 -178.749 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 100' ' ' SER . . . . . 0.455 ' H ' ' HG3' ' A' ' 99' ' ' ARG . 60.6 m -63.96 -12.97 42.43 Favored 'General case' 0 N--CA 1.456 -0.145 0 C-N-CA 123.336 0.655 . . . . 0.0 112.676 -178.576 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 101' ' ' ALA . . . . . . . . . . . . . . . 53.38 17.09 0.99 Allowed 'General case' 0 CA--C 1.534 0.355 0 C-N-CA 124.022 0.929 . . . . 0.0 112.281 -176.04 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -150.3 6.29 0.57 Allowed 'General case' 0 CA--C 1.532 0.273 0 C-N-CA 123.2 0.6 . . . . 0.0 111.628 -178.256 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 103' ' ' GLU . . . . . 0.607 ' CD ' ' H ' ' A' ' 103' ' ' GLU . 3.2 pm0 -66.49 -6.78 16.01 Favored 'General case' 0 N--CA 1.454 -0.265 0 C-N-CA 124.28 1.032 . . . . 0.0 113.293 -176.575 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 104' ' ' MET . . . . . . . . . . . . . 75.8 mtm -108.08 8.3 28.12 Favored 'General case' 0 N--CA 1.456 -0.149 0 C-N-CA 123.531 0.732 . . . . 0.0 111.182 177.7 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 105' ' ' TYR . . . . . . . . . . . . . 33.4 m-85 -132.88 0.94 3.56 Favored 'General case' 0 CA--C 1.533 0.324 0 C-N-CA 122.686 0.394 . . . . 0.0 111.85 -178.12 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 106' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.524 0.629 0 N-CA-C 111.097 -0.801 . . . . 0.0 111.097 -179.872 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' A' A ' 4' ' ' ASN . . . . . . . . . . . . . 2.7 p-10 . . . . . 0 CA--C 1.528 0.103 0 N-CA-C 112.053 0.39 . . . . 0.0 112.053 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 94.6 t -100.03 134.49 39.38 Favored 'Isoleucine or valine' 0 N--CA 1.458 -0.059 0 C-N-CA 122.962 0.505 . . . . 0.0 110.528 -176.343 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 60.1 p -147.38 9.41 0.94 Allowed 'General case' 0 C--O 1.226 -0.133 0 C-N-CA 123.237 0.615 . . . . 0.0 112.241 -179.88 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 7' ' ' ASN . . . . . . . . . . . . . 63.3 t-20 . . . . . 0 N--CA 1.455 -0.219 0 CA-C-N 119.303 0.956 . . . . 0.0 111.151 -178.642 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 56.8 p . . . . . 0 CA--C 1.529 0.152 0 N-CA-C 111.537 0.199 . . . . 0.0 111.537 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 28.7 ttp-105 -107.62 151.94 24.96 Favored 'General case' 0 N--CA 1.457 -0.118 0 C-N-CA 123.758 0.823 . . . . 0.0 110.29 178.587 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 71.7 t -125.68 131.45 71.99 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.268 0 C-N-CA 122.947 0.499 . . . . 0.0 110.349 178.893 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 31.8 t80 -89.09 133.72 34.27 Favored 'General case' 0 N--CA 1.451 -0.381 0 CA-C-N 115.636 -0.711 . . . . 0.0 109.212 174.279 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 65.9 mt -120.72 85.41 0.92 Allowed 'Isoleucine or valine' 0 CA--C 1.521 -0.149 0 N-CA-C 108.112 -1.07 . . . . 0.0 108.112 178.572 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -84.34 173.45 49.93 Favored Glycine 0 CA--C 1.526 0.76 0 N-CA-C 110.668 -0.973 . . . . 0.0 110.668 178.269 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 58.7 t30 49.73 45.87 24.29 Favored 'General case' 0 CA--C 1.531 0.22 0 C-N-CA 123.106 0.562 . . . . 0.0 111.163 -178.855 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 49.2 tp -96.13 142.99 27.65 Favored 'General case' 0 CA--C 1.531 0.243 0 N-CA-C 109.419 -0.585 . . . . 0.0 109.419 179.299 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 65.0 t30 -67.88 -39.74 83.64 Favored 'General case' 0 CA--C 1.529 0.141 0 O-C-N 122.245 -0.285 . . . . 0.0 111.079 -177.973 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 42.4 p 55.57 -2.53 0.03 OUTLIER 'General case' 0 N--CA 1.465 0.313 0 C-N-CA 127.242 2.217 . . . . 0.0 115.362 178.845 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 64.5 mt -83.87 -23.61 31.21 Favored 'General case' 0 N--CA 1.453 -0.308 0 C-N-CA 123.115 0.566 . . . . 0.0 111.83 174.638 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 56.1 t -122.53 -23.67 2.68 Favored 'Isoleucine or valine' 0 N--CA 1.461 0.095 0 C-N-CA 122.444 0.298 . . . . 0.0 111.45 -178.341 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 59.5 t -103.58 136.25 37.36 Favored 'Isoleucine or valine' 0 CA--C 1.522 -0.13 0 N-CA-C 109.835 -0.432 . . . . 0.0 109.835 178.308 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 3.7 mppt? -129.42 173.7 10.31 Favored 'General case' 0 CA--C 1.523 -0.071 0 C-N-CA 123.305 0.642 . . . . 0.0 110.073 -177.863 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 9.1 ptmt -66.7 -3.34 6.38 Favored 'General case' 0 N--CA 1.464 0.246 0 C-N-CA 123.935 0.894 . . . . 0.0 112.117 -179.8 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 35.3 m -101.73 0.62 36.27 Favored 'General case' 0 N--CA 1.456 -0.174 0 C-N-CA 123.767 0.827 . . . . 0.0 110.837 174.415 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 37.1 m-20 -116.43 -34.37 4.62 Favored 'General case' 0 N--CA 1.453 -0.3 0 C-N-CA 123.941 0.896 . . . . 0.0 110.835 -179.624 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 33' ' ' VAL . . . . . 0.408 HG13 ' CD1' ' A' ' 37' ' ' PHE . 99.0 t -65.08 -31.38 53.69 Favored 'Isoleucine or valine' 0 N--CA 1.457 -0.12 0 N-CA-C 109.126 -0.694 . . . . 0.0 109.126 179.68 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 25.1 pt-20 -78.47 7.16 7.05 Favored 'General case' 0 CA--C 1.532 0.268 0 C-N-CA 122.476 0.31 . . . . 0.0 111.769 177.808 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -126.01 -8.02 6.59 Favored 'General case' 0 N--CA 1.455 -0.224 0 C-N-CA 123.213 0.605 . . . . 0.0 110.943 177.355 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 70.7 mt -108.92 -28.4 2.73 Favored 'Isoleucine or valine' 0 C--N 1.338 0.1 0 C-N-CA 122.988 0.515 . . . . 0.0 110.628 178.266 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 37' ' ' PHE . . . . . 0.408 ' CD1' HG13 ' A' ' 33' ' ' VAL . 56.5 m-85 -101.15 -9.03 21.7 Favored 'General case' 0 N--CA 1.454 -0.253 0 C-N-CA 122.756 0.423 . . . . 0.0 111.097 -179.964 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 66.9 p -71.95 -14.71 61.99 Favored 'General case' 0 C--N 1.338 0.079 0 C-N-CA 122.721 0.408 . . . . 0.0 111.675 -178.785 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 18.2 ptmt -82.91 -10.85 58.62 Favored 'General case' 0 CA--C 1.528 0.12 0 C-N-CA 123.327 0.651 . . . . 0.0 112.38 178.894 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 40' ' ' TYR . . . . . . . . . . . . . 79.6 m-85 -105.53 -14.6 15.24 Favored 'General case' 0 C--N 1.34 0.174 0 C-N-CA 122.467 0.307 . . . . 0.0 111.412 177.628 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -176.97 160.62 27.86 Favored Glycine 0 CA--C 1.522 0.499 0 N-CA-C 111.759 -0.537 . . . . 0.0 111.759 174.517 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 78.0 tttt -71.56 113.41 8.57 Favored 'General case' 0 N--CA 1.452 -0.336 0 N-CA-C 108.863 -0.791 . . . . 0.0 108.863 177.477 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 43' ' ' ILE . . . . . . . . . . . . . 77.6 mt -82.77 129.93 36.59 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.279 0 N-CA-C 109.635 -0.506 . . . . 0.0 109.635 -178.463 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 32.9 m -108.08 -6.42 10.73 Favored 'Isoleucine or valine' 0 CA--C 1.527 0.069 0 C-N-CA 123.294 0.637 . . . . 0.0 110.69 178.961 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . -171.32 146.13 9.33 Favored Glycine 0 CA--C 1.523 0.559 0 N-CA-C 110.051 -1.219 . . . . 0.0 110.051 177.202 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 46' ' ' CYS . . . . . . . . . . . . . 42.1 t -149.91 145.03 26.28 Favored 'General case' 0 N--CA 1.45 -0.435 0 CA-C-N 117.088 0.444 . . . . 0.0 110.125 -179.599 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 23.0 t -154.11 149.91 27.6 Favored 'General case' 0 N--CA 1.452 -0.33 0 N-CA-C 110.012 -0.366 . . . . 0.0 110.012 177.344 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 48' ' ' VAL . . . . . . . . . . . . . 92.7 t -125.74 149.8 30.72 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.368 0 N-CA-C 108.967 -0.753 . . . . 0.0 108.967 178.248 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 49' ' ' HIS . . . . . . . . . . . . . 51.5 m-70 -137.47 -170.25 2.7 Favored 'General case' 0 N--CA 1.449 -0.524 0 N-CA-C 107.912 -1.144 . . . . 0.0 107.912 -177.32 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 61.6 tttm -86.12 116.99 24.66 Favored 'General case' 0 N--CA 1.452 -0.348 0 O-C-N 121.763 -0.585 . . . . 0.0 110.281 179.623 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 80.73 -8.4 55.72 Favored Glycine 0 CA--C 1.533 1.179 0 CA-C-O 119.3 -0.722 . . . . 0.0 113.718 179.219 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 48.1 p90 -150.93 168.06 25.68 Favored 'General case' 0 CA--C 1.53 0.204 0 CA-C-N 118.73 1.265 . . . . 0.0 111.385 178.465 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -147.73 171.86 14.99 Favored 'General case' 0 N--CA 1.454 -0.263 0 C-N-CA 123.692 0.797 . . . . 0.0 110.486 176.715 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 54' ' ' PHE . . . . . . . . . . . . . 12.7 m-85 -139.72 143.54 37.07 Favored 'General case' 0 N--CA 1.454 -0.26 0 C-N-CA 123.702 0.801 . . . . 0.0 110.824 -179.849 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 92.3 t -135.65 136.38 50.49 Favored 'Isoleucine or valine' 0 CA--C 1.52 -0.188 0 C-N-CA 123.696 0.798 . . . . 0.0 109.296 178.709 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 56' ' ' GLN . . . . . . . . . . . . . 64.9 tp60 -115.75 134.19 55.27 Favored 'General case' 0 N--CA 1.449 -0.507 0 C-N-CA 123.167 0.587 . . . . 0.0 109.433 -177.551 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 57' ' ' TYR . . . . . . . . . . . . . 51.8 m-85 -115.81 177.3 4.72 Favored 'General case' 0 C--O 1.233 0.217 0 C-N-CA 123.181 0.592 . . . . 0.0 110.505 -179.663 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 58' ' ' VAL . . . . . . . . . . . . . 84.7 t -72.03 -30.29 36.02 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.226 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.056 178.462 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 59' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -158.21 168.71 26.3 Favored 'General case' 0 CA--C 1.53 0.192 0 CA-C-O 120.824 0.345 . . . . 0.0 111.856 177.808 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 73.3 tt0 -58.07 -30.71 66.42 Favored 'General case' 0 CA--C 1.53 0.177 0 C-N-CA 123.546 0.738 . . . . 0.0 112.536 -178.836 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 25.7 tpt180 -59.03 -39.14 81.03 Favored 'General case' 0 N--CA 1.457 -0.102 0 CA-C-N 119.228 0.922 . . . . 0.0 110.104 179.869 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 62' ' ' ASN . . . . . . . . . . . . . 18.9 m120 -72.52 -24.65 61.18 Favored 'General case' 0 N--CA 1.45 -0.469 0 C-N-CA 120.854 -0.338 . . . . 0.0 110.762 179.693 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -76.63 -36.89 57.15 Favored 'General case' 0 N--CA 1.451 -0.407 0 N-CA-C 110.308 -0.256 . . . . 0.0 110.308 178.114 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 64' ' ' ARG . . . . . . . . . . . . . 33.2 mmt180 -70.81 -24.1 62.49 Favored 'General case' 0 N--CA 1.456 -0.168 0 N-CA-C 110.316 -0.253 . . . . 0.0 110.316 178.669 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -80.43 -32.82 37.28 Favored 'General case' 0 N--CA 1.453 -0.288 0 N-CA-C 110.608 -0.145 . . . . 0.0 110.608 179.559 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -80.78 -35.0 33.72 Favored 'General case' 0 N--CA 1.45 -0.43 0 O-C-N 122.248 -0.283 . . . . 0.0 111.478 178.39 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 67' ' ' VAL . . . . . . . . . . . . . 45.9 t -64.97 -32.21 57.26 Favored 'Isoleucine or valine' 0 N--CA 1.457 -0.083 0 N-CA-C 109.851 -0.425 . . . . 0.0 109.851 174.906 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -92.73 -9.32 41.09 Favored 'General case' 0 CA--C 1.53 0.18 0 N-CA-C 112.128 0.418 . . . . 0.0 112.128 178.129 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . -103.91 -13.1 28.26 Favored Glycine 0 CA--C 1.53 1.02 0 CA-C-O 119.299 -0.723 . . . . 0.0 114.033 -177.251 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 23.6 mm-40 -134.37 -19.51 1.91 Allowed 'General case' 0 CA--C 1.528 0.124 0 CA-C-N 118.623 1.212 . . . . 0.0 112.633 -174.252 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 23.7 t0 -62.59 115.41 4.25 Favored 'General case' 0 N--CA 1.454 -0.24 0 O-C-N 121.215 -0.928 . . . . 0.0 110.119 178.683 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . 89.48 10.25 65.79 Favored Glycine 0 C--N 1.335 0.513 0 N-CA-C 111.057 -0.817 . . . . 0.0 111.057 179.99 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 73' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -77.1 169.04 19.05 Favored 'General case' 0 N--CA 1.449 -0.488 0 N-CA-C 106.397 -1.705 . . . . 0.0 106.397 171.737 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 74' ' ' MET . . . . . . . . . . . . . 33.9 ttm -114.2 122.43 46.75 Favored 'General case' 0 N--CA 1.449 -0.501 0 N-CA-C 108.936 -0.764 . . . . 0.0 108.936 -176.065 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 75' ' ' ILE . . . . . . . . . . . . . 0.2 OUTLIER -129.36 135.76 60.98 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.417 0 N-CA-C 109.232 -0.655 . . . . 0.0 109.232 179.71 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . 54.42 17.81 1.71 Allowed 'General case' 0 CA--C 1.534 0.346 0 C-N-CA 123.182 0.593 . . . . 0.0 112.179 -174.404 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 88.97 5.07 74.11 Favored Glycine 0 CA--C 1.526 0.778 0 CA-C-O 119.725 -0.486 . . . . 0.0 112.217 -179.348 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 78' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -124.61 131.63 53.46 Favored 'General case' 0 N--CA 1.449 -0.52 0 CA-C-N 117.728 0.764 . . . . 0.0 110.214 -179.787 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 79' ' ' VAL . . . . . . . . . . . . . 54.4 t -63.52 140.45 19.63 Favored 'Isoleucine or valine' 0 C--O 1.227 -0.101 0 C-N-CA 124.093 0.957 . . . . 0.0 110.391 -179.076 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 30.9 mt -94.17 157.77 15.91 Favored 'General case' 0 N--CA 1.457 -0.118 0 CA-C-O 120.696 0.284 . . . . 0.0 111.095 176.952 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 81' ' ' ASP . . . . . . . . . . . . . 28.5 t70 -125.19 100.17 6.42 Favored 'General case' 0 N--CA 1.453 -0.284 0 N-CA-C 107.777 -1.194 . . . . 0.0 107.777 175.681 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 82' ' ' ILE . . . . . . . . . . . . . 64.9 mt -116.08 139.81 41.0 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.337 0 C-N-CA 123.133 0.573 . . . . 0.0 110.361 -169.741 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 83' ' ' ASN . . . . . . . . . . . . . 1.9 p-10 -157.26 164.02 38.13 Favored 'General case' 0 N--CA 1.455 -0.215 0 C-N-CA 122.81 0.444 . . . . 0.0 110.594 178.787 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 84' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -58.7 134.76 57.09 Favored 'General case' 0 N--CA 1.451 -0.399 0 N-CA-C 108.618 -0.882 . . . . 0.0 108.618 176.036 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.535 0.365 0 N-CA-C 113.64 0.978 . . . . 0.0 113.64 -176.681 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' A' A ' 98' ' ' LYS . . . . . . . . . . . . . 74.9 mmtt . . . . . 0 CA--C 1.528 0.114 0 CA-C-O 120.582 0.23 . . . . 0.0 111.305 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' A' A ' 99' ' ' ARG . . . . . . . . . . . . . 18.7 tpt180 -119.78 172.0 8.01 Favored 'General case' 0 N--CA 1.456 -0.149 0 C-N-CA 124.02 0.928 . . . . 0.0 109.724 -179.358 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 70.1 m -62.6 -15.75 53.08 Favored 'General case' 0 N--CA 1.455 -0.207 0 C-N-CA 123.262 0.625 . . . . 0.0 112.194 179.606 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 101' ' ' ALA . . . . . . . . . . . . . . . 51.9 18.08 0.74 Allowed 'General case' 0 CA--C 1.535 0.371 0 C-N-CA 124.029 0.932 . . . . 0.0 112.367 -176.01 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -149.35 12.1 0.81 Allowed 'General case' 0 N--CA 1.453 -0.28 0 C-N-CA 123.585 0.754 . . . . 0.0 111.174 -178.102 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 22.1 pt-20 -70.0 -5.85 29.31 Favored 'General case' 0 CA--C 1.529 0.156 0 N-CA-C 112.397 0.517 . . . . 0.0 112.397 -176.791 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 104' ' ' MET . . . . . . . . . . . . . 25.1 ptp -132.48 8.64 4.27 Favored 'General case' 0 N--CA 1.456 -0.144 0 C-N-CA 123.337 0.655 . . . . 0.0 111.836 -179.313 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 105' ' ' TYR . . . . . . . . . . . . . 17.3 m-85 -116.72 0.79 12.68 Favored 'General case' 0 CA--C 1.528 0.117 0 C-N-CA 123.284 0.633 . . . . 0.0 111.421 179.734 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 106' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.525 0.673 0 N-CA-C 111.389 -0.684 . . . . 0.0 111.389 179.224 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' A' A ' 4' ' ' ASN . . . . . . . . . . . . . 3.6 p-10 . . . . . 0 CA--C 1.531 0.224 0 N-CA-C 111.513 0.19 . . . . 0.0 111.513 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 96.5 t -99.18 136.57 29.74 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.181 0 C-N-CA 122.651 0.38 . . . . 0.0 111.18 -176.384 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 58.8 p -146.4 2.4 0.85 Allowed 'General case' 0 CA--C 1.528 0.104 0 C-N-CA 123.376 0.67 . . . . 0.0 111.477 179.625 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 7' ' ' ASN . . . . . . . . . . . . . 60.0 t-20 . . . . . 0 N--CA 1.455 -0.224 0 O-C-N 121.441 -0.787 . . . . 0.0 111.1 -176.671 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 88.3 p . . . . . 0 N--CA 1.456 -0.138 0 N-CA-C 110.711 -0.107 . . . . 0.0 110.711 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 31.2 ttp-105 -97.97 150.44 21.35 Favored 'General case' 0 N--CA 1.454 -0.236 0 C-N-CA 123.221 0.609 . . . . 0.0 109.954 175.632 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 93.8 t -126.53 129.52 71.74 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.387 0 C-N-CA 123.109 0.564 . . . . 0.0 109.733 179.192 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 20.2 t80 -89.47 133.98 34.31 Favored 'General case' 0 N--CA 1.449 -0.52 0 CA-C-N 115.301 -0.863 . . . . 0.0 109.175 175.601 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 64.8 mt -120.53 83.69 0.8 Allowed 'Isoleucine or valine' 0 CA--C 1.521 -0.158 0 N-CA-C 107.862 -1.162 . . . . 0.0 107.862 179.765 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -84.36 174.89 50.88 Favored Glycine 0 CA--C 1.526 0.728 0 N-CA-C 110.675 -0.97 . . . . 0.0 110.675 178.674 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 58.8 t30 48.46 47.26 20.35 Favored 'General case' 0 CA--C 1.531 0.22 0 C-N-CA 122.943 0.497 . . . . 0.0 110.758 -178.407 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 58.7 tp -99.28 144.55 28.27 Favored 'General case' 0 N--CA 1.455 -0.176 0 N-CA-C 109.396 -0.594 . . . . 0.0 109.396 179.535 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 64.7 t30 -69.6 -37.95 77.1 Favored 'General case' 0 CA--C 1.532 0.266 0 O-C-N 122.267 -0.27 . . . . 0.0 111.171 -177.542 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 60.0 p 53.97 -2.58 0.02 OUTLIER 'General case' 0 N--CA 1.464 0.248 0 C-N-CA 127.668 2.387 . . . . 0.0 115.49 179.129 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 85.3 mt -87.37 -20.55 26.56 Favored 'General case' 0 N--CA 1.452 -0.363 0 C-N-CA 123.235 0.614 . . . . 0.0 111.627 175.809 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 57.6 t -120.95 -26.07 2.33 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.236 0 C-N-CA 122.533 0.333 . . . . 0.0 111.635 -178.78 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 56.7 t -100.69 146.07 9.98 Favored 'Isoleucine or valine' 0 C--O 1.23 0.077 0 CA-C-N 118.065 0.393 . . . . 0.0 110.369 179.203 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 7.9 mptt -135.04 171.98 13.66 Favored 'General case' 0 CA--C 1.523 -0.07 0 C-N-CA 123.451 0.7 . . . . 0.0 110.142 -178.746 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 5.5 ptmm? -65.16 -8.18 15.87 Favored 'General case' 0 CA--C 1.53 0.197 0 C-N-CA 124.076 0.95 . . . . 0.0 111.85 178.839 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 39.3 m -97.0 -1.24 45.93 Favored 'General case' 0 CA--C 1.528 0.132 0 C-N-CA 123.252 0.621 . . . . 0.0 110.894 175.882 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 21.1 m-20 -114.26 -34.54 5.28 Favored 'General case' 0 N--CA 1.454 -0.245 0 C-N-CA 123.836 0.855 . . . . 0.0 110.271 179.587 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 72.0 t -62.48 -32.88 56.7 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.24 0 N-CA-C 109.391 -0.596 . . . . 0.0 109.391 177.942 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 23.5 pt-20 -79.11 7.78 6.89 Favored 'General case' 0 CA--C 1.529 0.171 0 N-CA-C 112.075 0.398 . . . . 0.0 112.075 178.242 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -127.3 -6.58 5.91 Favored 'General case' 0 CA--C 1.53 0.191 0 C-N-CA 123.237 0.615 . . . . 0.0 111.31 176.973 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 78.1 mt -110.85 -27.97 2.72 Favored 'Isoleucine or valine' 0 CA--C 1.528 0.13 0 C-N-CA 123.272 0.629 . . . . 0.0 110.735 178.638 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 37' ' ' PHE . . . . . . . . . . . . . 65.6 m-85 -103.13 -8.61 20.36 Favored 'General case' 0 N--CA 1.456 -0.158 0 C-N-CA 122.612 0.365 . . . . 0.0 110.779 179.932 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 64.6 p -72.9 -14.7 61.53 Favored 'General case' 0 C--O 1.232 0.134 0 C-N-CA 122.4 0.28 . . . . 0.0 111.721 -179.056 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 13.0 ptmm? -83.11 -9.82 59.01 Favored 'General case' 0 CA--C 1.528 0.106 0 C-N-CA 123.496 0.718 . . . . 0.0 112.296 179.106 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 40' ' ' TYR . . . . . . . . . . . . . 85.3 m-85 -106.79 -14.6 14.95 Favored 'General case' 0 C--O 1.23 0.075 0 C-N-CA 122.454 0.301 . . . . 0.0 111.226 177.684 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -177.72 162.2 29.84 Favored Glycine 0 CA--C 1.523 0.533 0 N-CA-C 111.712 -0.555 . . . . 0.0 111.712 175.027 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 78.8 tttt -73.64 114.14 11.55 Favored 'General case' 0 N--CA 1.452 -0.353 0 N-CA-C 108.979 -0.749 . . . . 0.0 108.979 178.075 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 43' ' ' ILE . . . . . . . . . . . . . 77.6 mt -83.43 130.54 35.62 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.23 0 N-CA-C 109.581 -0.526 . . . . 0.0 109.581 -178.418 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 33.7 m -109.61 -8.47 11.38 Favored 'Isoleucine or valine' 0 CA--C 1.526 0.054 0 C-N-CA 123.24 0.616 . . . . 0.0 110.602 179.072 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . -168.94 147.61 11.4 Favored Glycine 0 CA--C 1.524 0.632 0 N-CA-C 109.776 -1.329 . . . . 0.0 109.776 178.004 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 46' ' ' CYS . . . . . . . . . . . . . 22.1 p -151.24 153.74 35.47 Favored 'General case' 0 N--CA 1.451 -0.411 0 O-C-N 122.51 -0.406 . . . . 0.0 110.26 179.739 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 90.1 p -157.09 148.94 22.56 Favored 'General case' 0 N--CA 1.452 -0.349 0 N-CA-C 109.999 -0.371 . . . . 0.0 109.999 176.176 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 48' ' ' VAL . . . . . . . . . . . . . 86.3 t -125.35 145.48 32.64 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.238 0 N-CA-C 109.019 -0.734 . . . . 0.0 109.019 174.641 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 49' ' ' HIS . . . . . . . . . . . . . 46.9 m-70 -133.5 -163.69 1.39 Allowed 'General case' 0 N--CA 1.451 -0.386 0 N-CA-C 108.347 -0.982 . . . . 0.0 108.347 -176.225 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 96.8 mttt -90.0 115.58 27.4 Favored 'General case' 0 N--CA 1.454 -0.231 0 N-CA-C 109.709 -0.478 . . . . 0.0 109.709 177.099 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 81.31 -8.65 57.68 Favored Glycine 0 CA--C 1.529 0.941 0 CA-C-O 119.467 -0.63 . . . . 0.0 113.854 178.702 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 49.8 p90 -151.32 169.96 20.69 Favored 'General case' 0 C--N 1.339 0.137 0 CA-C-N 118.751 1.276 . . . . 0.0 111.761 178.579 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -148.94 171.64 16.0 Favored 'General case' 0 CA--C 1.533 0.292 0 C-N-CA 123.819 0.848 . . . . 0.0 109.794 176.436 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 54' ' ' PHE . . . . . . . . . . . . . 15.9 m-85 -139.94 148.25 41.7 Favored 'General case' 0 C--O 1.233 0.211 0 C-N-CA 123.428 0.691 . . . . 0.0 110.172 179.423 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 99.3 t -138.04 137.87 44.14 Favored 'Isoleucine or valine' 0 CA--C 1.519 -0.231 0 C-N-CA 123.731 0.812 . . . . 0.0 109.001 178.416 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 56' ' ' GLN . . . . . . . . . . . . . 57.1 tp60 -117.82 130.95 56.59 Favored 'General case' 0 N--CA 1.452 -0.342 0 N-CA-C 109.166 -0.679 . . . . 0.0 109.166 -177.291 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 57' ' ' TYR . . . . . . . . . . . . . 52.5 m-85 -112.08 176.25 5.1 Favored 'General case' 0 N--CA 1.453 -0.307 0 C-N-CA 122.843 0.457 . . . . 0.0 110.943 179.701 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 58' ' ' VAL . . . . . . . . . . . . . 80.3 t -71.97 -31.44 40.52 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.309 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.418 179.12 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 59' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -155.67 170.04 22.94 Favored 'General case' 0 N--CA 1.456 -0.165 0 N-CA-C 111.906 0.336 . . . . 0.0 111.906 177.619 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 60.4 tt0 -58.85 -31.61 68.67 Favored 'General case' 0 CA--C 1.531 0.225 0 C-N-CA 123.475 0.71 . . . . 0.0 112.123 -178.041 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 25.5 tpt180 -58.59 -39.73 81.2 Favored 'General case' 0 C--N 1.339 0.123 0 CA-C-N 119.013 0.824 . . . . 0.0 110.146 -179.599 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 62' ' ' ASN . . . . . . . . . . . . . 19.0 m120 -71.59 -24.68 61.95 Favored 'General case' 0 N--CA 1.449 -0.484 0 O-C-N 122.225 -0.297 . . . . 0.0 110.968 -179.542 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -77.06 -36.72 55.69 Favored 'General case' 0 N--CA 1.454 -0.247 0 O-C-N 122.387 -0.196 . . . . 0.0 110.516 177.964 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 64' ' ' ARG . . . . . . . . . . . . . 41.3 mmt180 -68.55 -25.9 65.15 Favored 'General case' 0 N--CA 1.46 0.063 0 N-CA-C 110.222 -0.288 . . . . 0.0 110.222 178.109 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -80.67 -33.6 35.4 Favored 'General case' 0 N--CA 1.454 -0.241 0 CA-C-N 117.438 0.108 . . . . 0.0 110.747 -178.854 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -80.88 -35.45 32.58 Favored 'General case' 0 N--CA 1.451 -0.387 0 O-C-N 122.088 -0.383 . . . . 0.0 111.206 178.666 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 67' ' ' VAL . . . . . . . . . . . . . 48.9 t -64.55 -33.67 64.58 Favored 'Isoleucine or valine' 0 C--N 1.338 0.089 0 N-CA-C 109.907 -0.405 . . . . 0.0 109.907 175.452 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -91.8 -9.11 44.73 Favored 'General case' 0 N--CA 1.455 -0.206 0 N-CA-C 112.082 0.401 . . . . 0.0 112.082 178.37 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . -104.61 -12.04 29.42 Favored Glycine 0 CA--C 1.53 1.015 0 CA-C-O 119.276 -0.736 . . . . 0.0 114.21 -177.475 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 27.6 mm-40 -135.16 -19.53 1.72 Allowed 'General case' 0 CA--C 1.53 0.18 0 CA-C-N 118.623 1.212 . . . . 0.0 112.516 -174.698 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 23.7 t0 -62.17 117.33 5.89 Favored 'General case' 0 C--O 1.234 0.266 0 CA-C-N 118.955 0.798 . . . . 0.0 109.954 178.932 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . 87.98 10.53 69.09 Favored Glycine 0 C--N 1.337 0.595 0 N-CA-C 111.105 -0.798 . . . . 0.0 111.105 179.888 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 73' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -76.59 169.25 18.61 Favored 'General case' 0 N--CA 1.449 -0.494 0 N-CA-C 106.226 -1.768 . . . . 0.0 106.226 171.635 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 74' ' ' MET . . . . . . . . . . . . . 33.2 ttm -114.21 122.46 46.84 Favored 'General case' 0 N--CA 1.452 -0.357 0 N-CA-C 109.248 -0.649 . . . . 0.0 109.248 -176.633 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 75' ' ' ILE . . . . . . . . . . . . . 0.3 OUTLIER -130.12 136.24 59.18 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.383 0 N-CA-C 109.501 -0.555 . . . . 0.0 109.501 179.296 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . 54.26 18.44 1.83 Allowed 'General case' 0 CA--C 1.534 0.337 0 C-N-CA 123.302 0.641 . . . . 0.0 112.056 -173.776 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 88.71 4.3 76.13 Favored Glycine 0 CA--C 1.527 0.81 0 N-CA-C 111.903 -0.479 . . . . 0.0 111.903 -179.312 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 78' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -124.32 131.26 53.51 Favored 'General case' 0 N--CA 1.452 -0.369 0 CA-C-N 117.993 0.896 . . . . 0.0 110.385 -179.131 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 79' ' ' VAL . . . . . . . . . . . . . 48.4 t -63.2 140.22 19.99 Favored 'Isoleucine or valine' 0 C--O 1.228 -0.064 0 C-N-CA 124.38 1.072 . . . . 0.0 110.282 -179.02 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 32.7 mt -94.58 157.46 15.97 Favored 'General case' 0 N--CA 1.455 -0.199 0 CA-C-O 120.623 0.249 . . . . 0.0 111.198 177.041 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 81' ' ' ASP . . . . . . . . . . . . . 29.9 t70 -122.52 102.04 7.84 Favored 'General case' 0 N--CA 1.456 -0.174 0 N-CA-C 107.911 -1.144 . . . . 0.0 107.911 174.11 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 82' ' ' ILE . . . . . . . . . . . . . 63.0 mt -116.63 139.56 42.91 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.235 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.113 -171.078 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 83' ' ' ASN . . . . . . . . . . . . . 1.8 p-10 -159.71 166.51 30.36 Favored 'General case' 0 N--CA 1.453 -0.277 0 C-N-CA 123.208 0.603 . . . . 0.0 110.121 -179.71 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 84' ' ' LEU . . . . . . . . . . . . . 1.6 tp -60.83 143.92 53.75 Favored 'General case' 0 N--CA 1.452 -0.341 0 N-CA-C 109.109 -0.701 . . . . 0.0 109.109 175.626 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.535 0.401 0 N-CA-C 112.886 0.698 . . . . 0.0 112.886 -178.72 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' A' A ' 98' ' ' LYS . . . . . . . . . . . . . 10.6 ptpt . . . . . 0 N--CA 1.456 -0.167 0 CA-C-O 120.572 0.225 . . . . 0.0 111.45 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' A' A ' 99' ' ' ARG . . . . . 0.49 ' HE ' ' CD ' ' A' ' 103' ' ' GLU . 2.4 tpt180 -133.72 163.49 29.34 Favored 'General case' 0 N--CA 1.455 -0.183 0 C-N-CA 123.724 0.809 . . . . 0.0 109.253 -179.892 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 61.7 m -68.79 -11.58 60.53 Favored 'General case' 0 N--CA 1.455 -0.184 0 C-N-CA 122.58 0.352 . . . . 0.0 111.305 177.724 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 101' ' ' ALA . . . . . . . . . . . . . . . 50.96 14.31 0.18 Allowed 'General case' 0 CA--C 1.538 0.483 0 C-N-CA 124.455 1.102 . . . . 0.0 113.055 -175.325 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -150.02 4.12 0.54 Allowed 'General case' 0 N--CA 1.455 -0.197 0 C-N-CA 122.908 0.483 . . . . 0.0 112.128 -178.465 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 103' ' ' GLU . . . . . 0.49 ' CD ' ' HE ' ' A' ' 99' ' ' ARG . 11.2 pt-20 -76.37 -3.53 37.44 Favored 'General case' 0 CA--C 1.53 0.182 0 N-CA-C 112.315 0.487 . . . . 0.0 112.315 -176.332 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 104' ' ' MET . . . . . . . . . . . . . 72.4 mtm -105.09 8.27 34.17 Favored 'General case' 0 CA--C 1.53 0.207 0 C-N-CA 123.717 0.807 . . . . 0.0 111.271 -179.816 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 105' ' ' TYR . . . . . . . . . . . . . 51.9 m-85 -132.35 1.48 3.79 Favored 'General case' 0 N--CA 1.456 -0.13 0 C-N-CA 122.864 0.466 . . . . 0.0 111.794 -177.737 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 106' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.527 0.789 0 N-CA-C 111.389 -0.684 . . . . 0.0 111.389 178.843 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' A' A ' 4' ' ' ASN . . . . . . . . . . . . . 4.0 p-10 . . . . . 0 CA--C 1.528 0.122 0 N-CA-C 111.261 0.097 . . . . 0.0 111.261 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 64.2 t -99.04 135.35 34.47 Favored 'Isoleucine or valine' 0 C--N 1.339 0.129 0 C-N-CA 122.747 0.419 . . . . 0.0 111.331 -176.307 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 76.3 p -149.9 9.06 0.67 Allowed 'General case' 0 CA--C 1.532 0.258 0 C-N-CA 123.83 0.852 . . . . 0.0 112.152 -177.735 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 7' ' ' ASN . . . . . . . . . . . . . 41.0 p30 . . . . . 0 CA--C 1.532 0.275 0 N-CA-C 114.6 1.333 . . . . 0.0 114.6 -172.779 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 88.9 p . . . . . 0 CA--C 1.531 0.237 0 N-CA-C 110.464 -0.199 . . . . 0.0 110.464 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 29.3 ttp-105 -98.88 151.18 21.13 Favored 'General case' 0 CA--C 1.52 -0.175 0 C-N-CA 123.149 0.58 . . . . 0.0 110.132 175.897 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 83.4 t -125.05 128.08 72.78 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.37 0 C-N-CA 123.03 0.532 . . . . 0.0 109.724 178.958 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 13.4 t80 -87.66 130.53 34.76 Favored 'General case' 0 N--CA 1.451 -0.41 0 N-CA-C 108.823 -0.806 . . . . 0.0 108.823 174.591 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 62.4 mt -118.37 84.72 0.83 Allowed 'Isoleucine or valine' 0 CA--C 1.52 -0.21 0 N-CA-C 107.737 -1.208 . . . . 0.0 107.737 179.238 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -85.67 175.05 48.77 Favored Glycine 0 CA--C 1.523 0.539 0 N-CA-C 110.827 -0.909 . . . . 0.0 110.827 178.723 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 54.8 t30 48.98 47.48 21.7 Favored 'General case' 0 N--CA 1.453 -0.301 0 C-N-CA 122.984 0.514 . . . . 0.0 110.359 -178.262 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 56.7 tp -100.28 145.65 27.86 Favored 'General case' 0 N--CA 1.454 -0.253 0 C-N-CA 123.14 0.576 . . . . 0.0 109.777 179.773 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 64.3 t30 -70.59 -36.98 73.84 Favored 'General case' 0 C--N 1.338 0.105 0 CA-C-N 117.886 0.312 . . . . 0.0 111.518 -177.57 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 48.7 p 50.72 9.45 0.05 OUTLIER 'General case' 0 N--CA 1.467 0.417 0 C-N-CA 126.406 1.882 . . . . 0.0 114.858 178.877 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 3.3 mm? -102.83 -14.4 16.6 Favored 'General case' 0 CA--C 1.531 0.23 0 C-N-CA 123.84 0.856 . . . . 0.0 111.161 176.469 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 63.5 t -126.3 -24.81 1.63 Allowed 'Isoleucine or valine' 0 C--N 1.34 0.16 0 C-N-CA 122.679 0.392 . . . . 0.0 110.608 178.75 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 47.4 t -102.33 146.59 10.15 Favored 'Isoleucine or valine' 0 C--O 1.232 0.159 0 N-CA-C 110.194 -0.299 . . . . 0.0 110.194 178.896 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 8.1 mptt -135.89 172.58 12.8 Favored 'General case' 0 C--N 1.34 0.157 0 C-N-CA 123.343 0.657 . . . . 0.0 110.207 -178.819 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 10.3 ptmt -68.09 -4.45 13.62 Favored 'General case' 0 CA--C 1.53 0.206 0 C-N-CA 123.574 0.75 . . . . 0.0 112.039 179.419 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 37.6 m -99.86 0.03 40.61 Favored 'General case' 0 CA--C 1.529 0.144 0 C-N-CA 123.385 0.674 . . . . 0.0 110.539 174.365 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 21.2 m-20 -116.05 -33.4 5.07 Favored 'General case' 0 N--CA 1.452 -0.33 0 C-N-CA 123.729 0.812 . . . . 0.0 110.819 179.8 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 72.9 t -65.49 -30.82 51.34 Favored 'Isoleucine or valine' 0 N--CA 1.457 -0.114 0 N-CA-C 108.981 -0.748 . . . . 0.0 108.981 178.809 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 24.9 pt-20 -79.34 8.78 5.53 Favored 'General case' 0 CA--C 1.53 0.206 0 N-CA-C 111.765 0.283 . . . . 0.0 111.765 178.089 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -127.03 -8.51 5.98 Favored 'General case' 0 N--CA 1.454 -0.269 0 C-N-CA 123.306 0.642 . . . . 0.0 111.017 176.183 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 77.6 mt -107.76 -26.34 3.32 Favored 'Isoleucine or valine' 0 C--N 1.339 0.138 0 C-N-CA 123.41 0.684 . . . . 0.0 110.676 178.398 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 37' ' ' PHE . . . . . . . . . . . . . 63.2 m-85 -105.81 -5.57 19.7 Favored 'General case' 0 N--CA 1.456 -0.15 0 C-N-CA 122.819 0.448 . . . . 0.0 110.94 -179.78 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 77.6 p -76.02 -14.38 60.22 Favored 'General case' 0 N--CA 1.456 -0.144 0 O-C-N 122.229 -0.294 . . . . 0.0 111.271 -179.88 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 13.5 ptmm? -80.43 -11.68 59.66 Favored 'General case' 0 N--CA 1.456 -0.149 0 C-N-CA 123.129 0.571 . . . . 0.0 112.265 179.304 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 40' ' ' TYR . . . . . . . . . . . . . 64.5 m-85 -106.23 -15.74 14.77 Favored 'General case' 0 C--O 1.232 0.136 0 C-N-CA 122.579 0.352 . . . . 0.0 111.594 178.52 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -176.24 162.24 30.97 Favored Glycine 0 C--N 1.335 0.512 0 N-CA-C 111.883 -0.487 . . . . 0.0 111.883 174.981 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 54.7 tttp -72.65 115.44 11.93 Favored 'General case' 0 N--CA 1.452 -0.342 0 N-CA-C 108.89 -0.781 . . . . 0.0 108.89 177.815 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 43' ' ' ILE . . . . . . . . . . . . . 77.1 mt -83.21 129.66 37.08 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.323 0 N-CA-C 109.681 -0.488 . . . . 0.0 109.681 -178.841 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 33.8 m -107.27 -8.38 10.7 Favored 'Isoleucine or valine' 0 C--O 1.227 -0.116 0 C-N-CA 123.178 0.591 . . . . 0.0 110.633 178.759 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . -168.94 146.33 10.2 Favored Glycine 0 CA--C 1.525 0.688 0 N-CA-C 109.965 -1.254 . . . . 0.0 109.965 177.79 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 46' ' ' CYS . . . . . . . . . . . . . 45.4 t -150.65 144.54 25.28 Favored 'General case' 0 N--CA 1.451 -0.378 0 N-CA-C 109.747 -0.464 . . . . 0.0 109.747 -179.228 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 23.1 t -153.26 148.26 26.63 Favored 'General case' 0 N--CA 1.449 -0.507 0 CA-C-O 120.875 0.369 . . . . 0.0 110.13 177.032 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 48' ' ' VAL . . . . . . . . . . . . . 92.3 t -125.74 146.68 31.08 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.222 0 N-CA-C 109.267 -0.642 . . . . 0.0 109.267 177.572 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 49' ' ' HIS . . . . . . . . . . . . . 54.4 m-70 -131.79 -164.2 1.42 Allowed 'General case' 0 N--CA 1.449 -0.489 0 C-N-CA 124.174 0.99 . . . . 0.0 108.348 -176.666 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 98.3 mttt -90.75 116.91 28.96 Favored 'General case' 0 N--CA 1.452 -0.336 0 N-CA-C 109.374 -0.602 . . . . 0.0 109.374 175.647 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 83.08 -9.79 59.7 Favored Glycine 0 CA--C 1.533 1.171 0 CA-C-O 118.903 -0.943 . . . . 0.0 113.51 178.214 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 50.4 p90 -152.62 170.23 20.74 Favored 'General case' 0 N--CA 1.461 0.082 0 CA-C-N 119.037 1.419 . . . . 0.0 111.601 179.078 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -148.96 172.23 15.05 Favored 'General case' 0 CA--C 1.53 0.202 0 C-N-CA 123.784 0.834 . . . . 0.0 110.542 176.509 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 54' ' ' PHE . . . . . . . . . . . . . 11.9 m-85 -140.41 143.97 35.93 Favored 'General case' 0 N--CA 1.454 -0.263 0 C-N-CA 123.726 0.81 . . . . 0.0 110.606 -179.947 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 93.0 t -134.58 137.83 50.6 Favored 'Isoleucine or valine' 0 CA--C 1.518 -0.274 0 C-N-CA 123.657 0.783 . . . . 0.0 109.25 178.972 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 56' ' ' GLN . . . . . . . . . . . . . 59.2 tp60 -116.92 130.86 56.98 Favored 'General case' 0 N--CA 1.451 -0.397 0 N-CA-C 109.401 -0.592 . . . . 0.0 109.401 -176.966 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 57' ' ' TYR . . . . . . . . . . . . . 38.9 m-85 -113.14 176.17 5.13 Favored 'General case' 0 N--CA 1.455 -0.219 0 C-N-CA 123.342 0.657 . . . . 0.0 110.845 179.703 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 58' ' ' VAL . . . . . . . . . . . . . 69.1 t -72.3 -30.73 36.33 Favored 'Isoleucine or valine' 0 N--CA 1.456 -0.169 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.367 178.964 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 59' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -156.83 170.19 23.04 Favored 'General case' 0 CA--C 1.53 0.179 0 CA-C-N 118.082 0.401 . . . . 0.0 112.047 178.068 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 74.2 tt0 -59.69 -30.8 69.04 Favored 'General case' 0 N--CA 1.454 -0.249 0 C-N-CA 123.332 0.653 . . . . 0.0 112.212 -177.982 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 19.4 tpp180 -59.94 -39.03 84.14 Favored 'General case' 0 CA--C 1.527 0.086 0 CA-C-N 118.978 0.808 . . . . 0.0 110.298 -179.698 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 62' ' ' ASN . . . . . . . . . . . . . 17.4 m120 -71.07 -25.53 62.66 Favored 'General case' 0 N--CA 1.451 -0.425 0 C-N-CA 120.809 -0.356 . . . . 0.0 110.814 -179.864 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -76.43 -35.52 58.48 Favored 'General case' 0 N--CA 1.452 -0.334 0 N-CA-C 110.343 -0.243 . . . . 0.0 110.343 178.532 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 64' ' ' ARG . . . . . . . . . . . . . 39.8 mmt180 -69.01 -26.73 65.15 Favored 'General case' 0 CA--C 1.526 0.047 0 N-CA-C 110.12 -0.326 . . . . 0.0 110.12 178.411 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -80.09 -33.45 38.79 Favored 'General case' 0 N--CA 1.452 -0.332 0 CA-C-N 117.54 0.154 . . . . 0.0 110.879 -179.484 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -81.31 -33.74 32.36 Favored 'General case' 0 N--CA 1.452 -0.332 0 O-C-N 122.048 -0.408 . . . . 0.0 111.121 179.87 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 67' ' ' VAL . . . . . . . . . . . . . 46.7 t -67.28 -33.42 62.69 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.238 0 N-CA-C 109.926 -0.398 . . . . 0.0 109.926 176.131 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -90.05 -10.37 45.05 Favored 'General case' 0 CA--C 1.531 0.222 0 N-CA-C 112.007 0.373 . . . . 0.0 112.007 177.773 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . -102.6 -13.51 29.97 Favored Glycine 0 CA--C 1.532 1.136 0 CA-C-O 119.191 -0.783 . . . . 0.0 113.752 -177.052 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 45.8 mm-40 -133.95 -20.03 1.98 Allowed 'General case' 0 N--CA 1.465 0.302 0 CA-C-N 118.646 1.223 . . . . 0.0 112.311 -173.73 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 21.8 t70 -61.59 118.22 6.78 Favored 'General case' 0 N--CA 1.456 -0.13 0 CA-C-N 119.131 0.878 . . . . 0.0 109.93 178.701 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . 87.28 10.65 70.75 Favored Glycine 0 CA--C 1.524 0.643 0 N-CA-C 111.205 -0.758 . . . . 0.0 111.205 179.433 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 73' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -76.48 169.72 17.72 Favored 'General case' 0 N--CA 1.449 -0.509 0 N-CA-C 106.383 -1.71 . . . . 0.0 106.383 171.475 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 74' ' ' MET . . . . . . . . . . . . . 33.7 ttm -115.29 121.74 43.8 Favored 'General case' 0 N--CA 1.448 -0.552 0 N-CA-C 109.078 -0.712 . . . . 0.0 109.078 -177.095 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 75' ' ' ILE . . . . . . . . . . . . . 0.2 OUTLIER -129.01 135.7 61.47 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.318 0 N-CA-C 109.562 -0.532 . . . . 0.0 109.562 179.286 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . 54.46 18.19 1.86 Allowed 'General case' 0 CA--C 1.533 0.316 0 C-N-CA 123.245 0.618 . . . . 0.0 112.298 -174.01 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 89.3 3.56 75.33 Favored Glycine 0 CA--C 1.527 0.82 0 N-CA-C 112.099 -0.4 . . . . 0.0 112.099 -179.256 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 78' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -123.73 132.22 53.77 Favored 'General case' 0 N--CA 1.45 -0.442 0 CA-C-N 117.687 0.744 . . . . 0.0 110.307 -179.105 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 79' ' ' VAL . . . . . . . . . . . . . 50.1 t -64.36 140.93 18.89 Favored 'Isoleucine or valine' 0 CA--C 1.522 -0.127 0 C-N-CA 124.4 1.08 . . . . 0.0 110.507 -178.87 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 29.3 mt -96.12 155.98 16.53 Favored 'General case' 0 N--CA 1.456 -0.153 0 CA-C-O 120.864 0.364 . . . . 0.0 111.4 177.224 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 81' ' ' ASP . . . . . . . . . . . . . 7.3 m-20 -123.07 103.14 8.39 Favored 'General case' 0 N--CA 1.453 -0.293 0 N-CA-C 107.727 -1.212 . . . . 0.0 107.727 174.684 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 82' ' ' ILE . . . . . . . . . . . . . 65.5 mt -118.59 139.13 46.98 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.355 0 C-N-CA 123.143 0.577 . . . . 0.0 110.433 -169.847 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 83' ' ' ASN . . . . . . . . . . . . . 1.1 p-10 -161.04 172.0 17.62 Favored 'General case' 0 CA--C 1.529 0.163 0 C-N-CA 123.373 0.669 . . . . 0.0 110.174 -178.564 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 84' ' ' LEU . . . . . . . . . . . . . 3.2 mm? -64.54 150.32 47.0 Favored 'General case' 0 N--CA 1.455 -0.176 0 N-CA-C 109.271 -0.64 . . . . 0.0 109.271 176.37 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.534 0.342 0 N-CA-C 112.002 0.371 . . . . 0.0 112.002 177.33 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' A' A ' 98' ' ' LYS . . . . . . . . . . . . . 35.3 mmtp . . . . . 0 C--O 1.232 0.162 0 CA-C-O 120.359 0.123 . . . . 0.0 111.172 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' A' A ' 99' ' ' ARG . . . . . 0.415 ' HG3' ' H ' ' A' ' 100' ' ' SER . 14.9 tpt180 -136.42 174.13 10.96 Favored 'General case' 0 CA--C 1.529 0.141 0 C-N-CA 123.875 0.87 . . . . 0.0 109.873 -177.374 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 100' ' ' SER . . . . . 0.415 ' H ' ' HG3' ' A' ' 99' ' ' ARG . 75.0 m -60.4 -18.14 48.66 Favored 'General case' 0 N--CA 1.457 -0.124 0 C-N-CA 123.478 0.711 . . . . 0.0 112.172 179.146 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 101' ' ' ALA . . . . . . . . . . . . . . . 52.63 16.51 0.66 Allowed 'General case' 0 CA--C 1.533 0.301 0 C-N-CA 123.94 0.896 . . . . 0.0 112.728 -177.069 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -148.01 5.85 0.77 Allowed 'General case' 0 N--CA 1.454 -0.261 0 C-N-CA 123.03 0.532 . . . . 0.0 111.496 -178.162 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 16.9 pt-20 -73.11 -7.67 52.35 Favored 'General case' 0 CA--C 1.533 0.306 0 O-C-N 122.034 -0.417 . . . . 0.0 111.917 -177.833 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 104' ' ' MET . . . . . . . . . . . . . 71.3 mtm -99.29 5.39 46.57 Favored 'General case' 0 N--CA 1.456 -0.157 0 C-N-CA 123.629 0.771 . . . . 0.0 111.487 -179.874 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 105' ' ' TYR . . . . . . . . . . . . . 49.3 m-85 -132.33 5.43 4.09 Favored 'General case' 0 CA--C 1.531 0.232 0 C-N-CA 122.936 0.494 . . . . 0.0 111.489 -177.748 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 106' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--N 1.337 0.628 0 N-CA-C 110.734 -0.946 . . . . 0.0 110.734 -179.83 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' A' A ' 4' ' ' ASN . . . . . . . . . . . . . 95.3 m-20 . . . . . 0 N--CA 1.457 -0.104 0 CA-C-O 119.868 -0.111 . . . . 0.0 111.116 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 94.3 t -91.97 133.76 32.39 Favored 'Isoleucine or valine' 0 N--CA 1.456 -0.161 0 CA-C-O 120.787 0.327 . . . . 0.0 111.649 -175.143 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 72.9 p -149.72 5.55 0.6 Allowed 'General case' 0 C--O 1.225 -0.226 0 C-N-CA 124.124 0.969 . . . . 0.0 111.94 -178.355 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 7' ' ' ASN . . . . . . . . . . . . . 40.3 p30 . . . . . 0 C--N 1.341 0.198 0 N-CA-C 114.333 1.234 . . . . 0.0 114.333 -172.79 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 81.5 p . . . . . 0 CA--C 1.531 0.245 0 CA-C-O 120.174 0.035 . . . . 0.0 110.974 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 28.9 ttp-105 -101.34 154.01 19.16 Favored 'General case' 0 N--CA 1.455 -0.215 0 C-N-CA 123.691 0.796 . . . . 0.0 109.965 177.604 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 97.5 t -128.93 131.88 67.87 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.273 0 C-N-CA 123.128 0.571 . . . . 0.0 110.081 177.323 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 23.1 t80 -89.62 135.21 33.74 Favored 'General case' 0 N--CA 1.45 -0.429 0 C-N-CA 123.668 0.787 . . . . 0.0 109.433 175.183 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 64.0 mt -122.55 85.5 0.95 Allowed 'Isoleucine or valine' 0 N--CA 1.456 -0.172 0 N-CA-C 108.101 -1.074 . . . . 0.0 108.101 179.559 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -85.18 174.14 48.96 Favored Glycine 0 CA--C 1.522 0.523 0 N-CA-C 110.821 -0.911 . . . . 0.0 110.821 178.656 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 56.0 t30 48.92 48.09 20.89 Favored 'General case' 0 CA--C 1.532 0.251 0 C-N-CA 123.114 0.566 . . . . 0.0 110.969 -178.835 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 51.6 tp -97.38 143.61 27.95 Favored 'General case' 0 N--CA 1.454 -0.237 0 C-N-CA 123.016 0.527 . . . . 0.0 109.89 179.594 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 64.2 t30 -69.85 -38.81 76.58 Favored 'General case' 0 CA--C 1.529 0.172 0 C-N-CA 121.079 -0.249 . . . . 0.0 111.454 -178.179 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 30.1 p 56.7 -4.93 0.03 OUTLIER 'General case' 0 N--CA 1.468 0.465 0 C-N-CA 126.978 2.111 . . . . 0.0 115.234 179.441 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 3.8 mm? -88.92 -16.22 32.41 Favored 'General case' 0 CA--C 1.528 0.128 0 CA-C-N 118.395 0.543 . . . . 0.0 111.37 177.979 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 48.4 t -127.17 -18.32 2.57 Favored 'Isoleucine or valine' 0 CA--C 1.528 0.099 0 C-N-CA 122.917 0.487 . . . . 0.0 110.875 179.763 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 58.2 t -110.21 139.78 32.12 Favored 'Isoleucine or valine' 0 C--N 1.339 0.119 0 O-C-N 122.182 -0.324 . . . . 0.0 110.335 178.059 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 2.9 mptp? -133.34 171.87 13.47 Favored 'General case' 0 CA--C 1.521 -0.159 0 C-N-CA 124.589 1.156 . . . . 0.0 109.688 -179.541 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 7.3 ptmm? -62.72 -10.12 11.59 Favored 'General case' 0 CA--C 1.53 0.206 0 C-N-CA 124.17 0.988 . . . . 0.0 112.517 -179.0 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 53.5 p -93.07 -15.11 26.48 Favored 'General case' 0 N--CA 1.457 -0.104 0 C-N-CA 123.431 0.692 . . . . 0.0 110.705 177.175 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 44.0 m-20 -98.12 -36.0 10.22 Favored 'General case' 0 N--CA 1.451 -0.401 0 C-N-CA 124.355 1.062 . . . . 0.0 110.316 178.079 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 71.2 t -62.39 -33.15 57.69 Favored 'Isoleucine or valine' 0 N--CA 1.456 -0.145 0 N-CA-C 109.609 -0.515 . . . . 0.0 109.609 179.05 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 24.6 pt-20 -80.45 8.31 7.95 Favored 'General case' 0 C--O 1.232 0.182 0 N-CA-C 111.916 0.339 . . . . 0.0 111.916 179.26 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -126.63 -7.67 6.24 Favored 'General case' 0 CA--C 1.53 0.206 0 C-N-CA 123.145 0.578 . . . . 0.0 111.053 176.613 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 76.3 mt -109.43 -27.36 2.93 Favored 'Isoleucine or valine' 0 C--N 1.339 0.109 0 C-N-CA 123.125 0.57 . . . . 0.0 110.287 179.174 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 37' ' ' PHE . . . . . . . . . . . . . 69.0 m-85 -103.65 -8.0 20.28 Favored 'General case' 0 N--CA 1.454 -0.26 0 C-N-CA 122.625 0.37 . . . . 0.0 110.869 179.881 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 25.2 t -74.34 -13.17 60.71 Favored 'General case' 0 CA--C 1.53 0.186 0 CA-C-O 120.701 0.286 . . . . 0.0 111.125 -178.901 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 13.3 ptmm? -81.52 -11.13 59.29 Favored 'General case' 0 C--N 1.339 0.111 0 C-N-CA 122.916 0.486 . . . . 0.0 112.013 179.345 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 40' ' ' TYR . . . . . . . . . . . . . 68.5 m-85 -107.13 -15.33 14.7 Favored 'General case' 0 C--N 1.339 0.142 0 CA-C-N 117.861 0.3 . . . . 0.0 111.421 178.804 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -176.82 160.91 28.47 Favored Glycine 0 C--N 1.333 0.384 0 N-CA-C 112.033 -0.427 . . . . 0.0 112.033 174.865 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 77.3 tttt -71.57 115.76 11.13 Favored 'General case' 0 N--CA 1.453 -0.309 0 N-CA-C 108.977 -0.749 . . . . 0.0 108.977 177.977 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 43' ' ' ILE . . . . . . . . . . . . . 77.6 mt -83.58 129.32 37.72 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.201 0 N-CA-C 109.756 -0.461 . . . . 0.0 109.756 -178.954 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 34.1 m -109.6 -8.11 11.35 Favored 'Isoleucine or valine' 0 C--O 1.231 0.114 0 C-N-CA 123.051 0.541 . . . . 0.0 110.757 178.865 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . -167.21 147.93 12.48 Favored Glycine 0 CA--C 1.522 0.501 0 N-CA-C 109.878 -1.289 . . . . 0.0 109.878 177.895 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 46' ' ' CYS . . . . . . . . . . . . . 21.6 p -150.53 150.92 31.88 Favored 'General case' 0 N--CA 1.452 -0.349 0 O-C-N 122.332 -0.51 . . . . 0.0 110.056 179.876 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 91.7 p -156.47 143.65 18.95 Favored 'General case' 0 N--CA 1.451 -0.393 0 N-CA-C 109.942 -0.392 . . . . 0.0 109.942 175.929 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 48' ' ' VAL . . . . . . . . . . . . . 87.3 t -120.61 146.1 26.01 Favored 'Isoleucine or valine' 0 C--O 1.232 0.14 0 N-CA-C 109.104 -0.702 . . . . 0.0 109.104 174.144 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 49' ' ' HIS . . . . . . . . . . . . . 43.5 m-70 -135.17 -168.98 2.28 Favored 'General case' 0 N--CA 1.451 -0.425 0 C-N-CA 124.417 1.087 . . . . 0.0 108.236 -176.093 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 38.5 mtmm -84.72 117.05 23.57 Favored 'General case' 0 N--CA 1.452 -0.374 0 O-C-N 121.787 -0.571 . . . . 0.0 109.966 177.605 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 79.82 -8.84 47.85 Favored Glycine 0 CA--C 1.531 1.093 0 CA-C-O 119.186 -0.786 . . . . 0.0 113.848 177.849 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 53.6 p90 -150.38 168.56 23.76 Favored 'General case' 0 CA--C 1.529 0.143 0 CA-C-N 118.86 1.33 . . . . 0.0 111.442 178.664 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -147.63 171.77 15.09 Favored 'General case' 0 N--CA 1.456 -0.172 0 C-N-CA 124.311 1.044 . . . . 0.0 110.312 176.123 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 54' ' ' PHE . . . . . . . . . . . . . 15.3 m-85 -140.14 146.62 39.04 Favored 'General case' 0 N--CA 1.454 -0.24 0 C-N-CA 123.585 0.754 . . . . 0.0 110.53 179.268 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 99.0 t -135.19 137.88 49.57 Favored 'Isoleucine or valine' 0 CA--C 1.517 -0.29 0 C-N-CA 123.63 0.772 . . . . 0.0 109.164 178.301 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 56' ' ' GLN . . . . . . . . . . . . . 60.4 tp60 -118.04 129.8 55.78 Favored 'General case' 0 N--CA 1.445 -0.678 0 N-CA-C 109.315 -0.624 . . . . 0.0 109.315 -176.31 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 57' ' ' TYR . . . . . . . . . . . . . 44.3 m-85 -112.33 176.83 4.85 Favored 'General case' 0 N--CA 1.455 -0.214 0 C-N-CA 123.516 0.726 . . . . 0.0 110.971 -179.281 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 58' ' ' VAL . . . . . . . . . . . . . 73.6 t -72.67 -30.71 34.46 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.193 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.329 178.787 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 59' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -156.35 170.7 21.68 Favored 'General case' 0 CA--C 1.529 0.169 0 N-CA-C 112.23 0.456 . . . . 0.0 112.23 178.178 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 78.1 tt0 -60.72 -30.63 70.09 Favored 'General case' 0 N--CA 1.457 -0.092 0 C-N-CA 123.588 0.755 . . . . 0.0 112.181 -177.719 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 24.8 tpt180 -58.33 -39.54 79.71 Favored 'General case' 0 C--N 1.339 0.115 0 CA-C-N 119.039 0.836 . . . . 0.0 109.862 179.401 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 62' ' ' ASN . . . . . . . . . . . . . 20.2 m120 -71.27 -25.06 62.3 Favored 'General case' 0 N--CA 1.45 -0.432 0 C-N-CA 120.711 -0.396 . . . . 0.0 111.122 -179.598 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -74.88 -38.37 61.93 Favored 'General case' 0 N--CA 1.453 -0.277 0 N-CA-C 110.473 -0.195 . . . . 0.0 110.473 177.923 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 64' ' ' ARG . . . . . . . . . . . . . 37.7 mmt180 -68.78 -26.57 65.28 Favored 'General case' 0 N--CA 1.457 -0.084 0 O-C-N 122.381 -0.199 . . . . 0.0 110.538 179.342 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -79.32 -32.79 43.51 Favored 'General case' 0 N--CA 1.452 -0.362 0 C-N-CA 122.005 0.122 . . . . 0.0 110.913 -178.943 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -83.53 -34.06 25.34 Favored 'General case' 0 N--CA 1.453 -0.277 0 O-C-N 122.267 -0.271 . . . . 0.0 111.437 179.231 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 67' ' ' VAL . . . . . . . . . . . . . 49.7 t -65.71 -32.48 58.38 Favored 'Isoleucine or valine' 0 N--CA 1.456 -0.129 0 N-CA-C 109.962 -0.385 . . . . 0.0 109.962 175.302 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -93.49 -10.27 35.52 Favored 'General case' 0 CA--C 1.529 0.166 0 N-CA-C 112.049 0.389 . . . . 0.0 112.049 178.282 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . -101.78 -14.22 30.01 Favored Glycine 0 CA--C 1.528 0.898 0 CA-C-O 119.396 -0.669 . . . . 0.0 113.894 -177.687 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 42.2 mm-40 -132.58 -19.3 2.4 Favored 'General case' 0 N--CA 1.465 0.3 0 CA-C-N 118.548 1.174 . . . . 0.0 112.375 -174.093 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 20.9 t70 -61.59 118.3 6.88 Favored 'General case' 0 N--CA 1.454 -0.236 0 O-C-N 121.288 -0.883 . . . . 0.0 109.986 178.243 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . 87.28 10.35 71.31 Favored Glycine 0 C--N 1.336 0.567 0 N-CA-C 111.017 -0.833 . . . . 0.0 111.017 179.132 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 73' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -75.6 169.69 17.61 Favored 'General case' 0 N--CA 1.451 -0.411 0 N-CA-C 106.419 -1.697 . . . . 0.0 106.419 171.563 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 74' ' ' MET . . . . . . . . . . . . . 33.4 ttm -115.63 121.32 42.22 Favored 'General case' 0 N--CA 1.449 -0.511 0 N-CA-C 109.23 -0.656 . . . . 0.0 109.23 -177.197 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 75' ' ' ILE . . . . . . . . . . . . . 0.2 OUTLIER -128.39 135.65 62.04 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.352 0 CA-C-N 115.976 -0.556 . . . . 0.0 109.542 179.664 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . 54.81 17.9 1.95 Allowed 'General case' 0 CA--C 1.535 0.366 0 C-N-CA 123.198 0.599 . . . . 0.0 112.22 -174.413 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 89.08 5.02 73.87 Favored Glycine 0 CA--C 1.528 0.879 0 CA-C-O 119.623 -0.543 . . . . 0.0 111.998 -179.186 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 78' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -125.16 131.67 53.19 Favored 'General case' 0 N--CA 1.453 -0.312 0 CA-C-N 117.8 0.8 . . . . 0.0 110.251 -179.425 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 79' ' ' VAL . . . . . . . . . . . . . 50.1 t -62.94 141.74 17.68 Favored 'Isoleucine or valine' 0 N--CA 1.462 0.145 0 C-N-CA 124.402 1.081 . . . . 0.0 110.24 -178.865 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 32.3 mt -96.85 155.63 16.69 Favored 'General case' 0 C--O 1.231 0.113 0 CA-C-O 120.886 0.374 . . . . 0.0 111.059 176.612 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 81' ' ' ASP . . . . . . . . . . . . . 4.2 m-20 -123.3 99.27 6.25 Favored 'General case' 0 N--CA 1.452 -0.355 0 N-CA-C 107.741 -1.207 . . . . 0.0 107.741 176.561 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 82' ' ' ILE . . . . . . . . . . . . . 63.9 mt -113.39 141.66 28.47 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.272 0 C-N-CA 123.348 0.659 . . . . 0.0 109.967 -170.247 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 83' ' ' ASN . . . . . . . . . . . . . 52.7 t30 -154.58 157.28 38.01 Favored 'General case' 0 N--CA 1.456 -0.153 0 C-N-CA 122.664 0.386 . . . . 0.0 111.235 -175.237 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 84' ' ' LEU . . . . . . . . . . . . . 1.2 tm? -60.78 127.77 33.28 Favored 'General case' 0 N--CA 1.452 -0.34 0 N-CA-C 108.316 -0.994 . . . . 0.0 108.316 172.516 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.531 0.234 0 N-CA-C 114.76 1.393 . . . . 0.0 114.76 -172.823 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' A' A ' 98' ' ' LYS . . . . . . . . . . . . . 34.9 mmtp . . . . . 0 CA--C 1.529 0.153 0 N-CA-C 111.553 0.205 . . . . 0.0 111.553 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' A' A ' 99' ' ' ARG . . . . . 0.405 ' HE ' ' CD ' ' A' ' 103' ' ' GLU . 53.0 ttt180 -103.97 171.78 7.16 Favored 'General case' 0 N--CA 1.456 -0.172 0 C-N-CA 124.235 1.014 . . . . 0.0 109.593 -179.273 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 58.2 m -63.53 -15.9 59.25 Favored 'General case' 0 CA--C 1.528 0.121 0 C-N-CA 122.446 0.298 . . . . 0.0 111.606 176.858 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 101' ' ' ALA . . . . . . . . . . . . . . . 52.41 14.1 0.35 Allowed 'General case' 0 CA--C 1.532 0.287 0 C-N-CA 124.215 1.006 . . . . 0.0 112.909 -176.968 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -149.45 2.18 0.54 Allowed 'General case' 0 CA--C 1.532 0.287 0 C-N-CA 123.208 0.603 . . . . 0.0 112.207 -178.128 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 103' ' ' GLU . . . . . 0.405 ' CD ' ' HE ' ' A' ' 99' ' ' ARG . 11.7 pt-20 -80.12 -4.01 51.16 Favored 'General case' 0 CA--C 1.529 0.157 0 O-C-N 121.986 -0.446 . . . . 0.0 112.09 -178.066 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 104' ' ' MET . . . . . . . . . . . . . 73.4 mtm -105.98 10.01 32.42 Favored 'General case' 0 CA--C 1.532 0.251 0 C-N-CA 123.776 0.831 . . . . 0.0 111.351 -179.634 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 105' ' ' TYR . . . . . . . . . . . . . 61.8 m-85 -130.77 2.82 4.46 Favored 'General case' 0 CA--C 1.529 0.146 0 C-N-CA 122.943 0.497 . . . . 0.0 111.617 -178.639 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 106' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--N 1.337 0.635 0 N-CA-C 110.516 -1.033 . . . . 0.0 110.516 179.979 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' A' A ' 4' ' ' ASN . . . . . . . . . . . . . 3.4 p-10 . . . . . 0 N--CA 1.454 -0.238 0 N-CA-C 111.225 0.083 . . . . 0.0 111.225 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 91.8 t -94.26 133.2 36.06 Favored 'Isoleucine or valine' 0 N--CA 1.456 -0.151 0 C-N-CA 122.691 0.397 . . . . 0.0 110.921 -177.005 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 65.7 p -146.98 9.78 1.0 Allowed 'General case' 0 CA--C 1.529 0.154 0 C-N-CA 123.485 0.714 . . . . 0.0 111.701 -179.85 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 7' ' ' ASN . . . . . . . . . . . . . 62.8 t-20 . . . . . 0 C--O 1.231 0.128 0 CA-C-N 118.931 0.787 . . . . 0.0 111.484 -177.727 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 77.8 p . . . . . 0 N--CA 1.454 -0.236 0 CA-C-O 120.389 0.138 . . . . 0.0 110.948 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 36.6 ttm180 -106.04 154.19 20.97 Favored 'General case' 0 C--O 1.232 0.169 0 C-N-CA 124.459 1.104 . . . . 0.0 110.271 -179.108 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 87.5 t -130.06 132.43 65.4 Favored 'Isoleucine or valine' 0 N--CA 1.456 -0.155 0 CA-C-O 120.752 0.31 . . . . 0.0 110.295 177.42 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 25.6 t80 -93.16 132.53 37.22 Favored 'General case' 0 N--CA 1.452 -0.372 0 C-N-CA 123.97 0.908 . . . . 0.0 109.011 175.622 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 63.1 mt -120.69 85.59 0.93 Allowed 'Isoleucine or valine' 0 N--CA 1.454 -0.229 0 N-CA-C 108.039 -1.097 . . . . 0.0 108.039 -179.374 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -84.34 174.53 50.66 Favored Glycine 0 CA--C 1.523 0.59 0 N-CA-C 110.75 -0.94 . . . . 0.0 110.75 178.423 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 62.3 t30 48.62 47.79 20.34 Favored 'General case' 0 CA--C 1.53 0.187 0 C-N-CA 123.143 0.577 . . . . 0.0 111.207 -179.002 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 52.7 tp -99.72 145.05 28.09 Favored 'General case' 0 N--CA 1.453 -0.296 0 N-CA-C 109.269 -0.641 . . . . 0.0 109.269 179.499 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 64.8 t30 -68.71 -39.73 80.33 Favored 'General case' 0 N--CA 1.456 -0.16 0 O-C-N 122.326 -0.234 . . . . 0.0 111.019 -178.232 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 27.7 p 55.18 -0.83 0.03 OUTLIER 'General case' 0 N--CA 1.465 0.298 0 C-N-CA 126.904 2.081 . . . . 0.0 115.503 178.521 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 79.2 mt -89.45 -20.69 23.6 Favored 'General case' 0 N--CA 1.453 -0.314 0 C-N-CA 123.558 0.743 . . . . 0.0 111.748 175.634 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 60.9 t -120.87 -26.67 2.17 Favored 'Isoleucine or valine' 0 N--CA 1.462 0.127 0 C-N-CA 122.776 0.43 . . . . 0.0 111.374 -178.516 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 51.4 t -101.46 146.44 9.79 Favored 'Isoleucine or valine' 0 CA--C 1.527 0.087 0 CA-C-N 117.989 0.359 . . . . 0.0 110.092 179.602 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 8.1 mptt -134.98 171.46 14.39 Favored 'General case' 0 C--O 1.227 -0.098 0 C-N-CA 123.432 0.693 . . . . 0.0 110.294 -178.332 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 5.8 ptmm? -65.35 -6.75 10.85 Favored 'General case' 0 CA--C 1.529 0.147 0 C-N-CA 123.902 0.881 . . . . 0.0 112.01 178.818 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 40.9 m -98.72 -0.15 43.37 Favored 'General case' 0 CA--C 1.529 0.163 0 C-N-CA 123.509 0.723 . . . . 0.0 110.704 175.255 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 21.7 m-20 -115.84 -34.27 4.85 Favored 'General case' 0 N--CA 1.453 -0.312 0 C-N-CA 124.026 0.93 . . . . 0.0 110.343 179.939 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 84.7 t -65.37 -31.02 52.02 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.202 0 N-CA-C 108.819 -0.808 . . . . 0.0 108.819 178.643 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 25.4 pt-20 -79.6 8.61 6.17 Favored 'General case' 0 CA--C 1.532 0.257 0 N-CA-C 111.844 0.312 . . . . 0.0 111.844 177.875 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -126.97 -8.14 6.02 Favored 'General case' 0 N--CA 1.455 -0.217 0 C-N-CA 123.331 0.652 . . . . 0.0 111.147 176.911 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 74.6 mt -108.91 -27.56 2.91 Favored 'Isoleucine or valine' 0 C--N 1.339 0.124 0 C-N-CA 123.284 0.634 . . . . 0.0 110.375 178.671 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 37' ' ' PHE . . . . . . . . . . . . . 57.4 m-85 -102.83 -8.82 20.46 Favored 'General case' 0 N--CA 1.453 -0.307 0 C-N-CA 122.66 0.384 . . . . 0.0 110.784 -179.84 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 69.1 p -72.63 -15.15 61.73 Favored 'General case' 0 C--N 1.335 -0.058 0 C-N-CA 122.646 0.378 . . . . 0.0 111.535 -178.749 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 18.5 ptmt -80.02 -11.69 59.76 Favored 'General case' 0 N--CA 1.457 -0.125 0 C-N-CA 123.054 0.541 . . . . 0.0 112.342 179.011 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 40' ' ' TYR . . . . . . . . . . . . . 70.1 m-85 -105.68 -16.06 14.79 Favored 'General case' 0 C--O 1.233 0.208 0 C-N-CA 122.426 0.29 . . . . 0.0 111.308 178.125 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -175.74 161.66 30.53 Favored Glycine 0 CA--C 1.524 0.611 0 N-CA-C 111.864 -0.494 . . . . 0.0 111.864 174.319 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 78.1 tttt -71.65 114.83 10.14 Favored 'General case' 0 N--CA 1.452 -0.35 0 N-CA-C 108.72 -0.844 . . . . 0.0 108.72 177.52 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 43' ' ' ILE . . . . . . . . . . . . . 75.8 mt -84.05 129.84 36.91 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.26 0 N-CA-C 109.515 -0.55 . . . . 0.0 109.515 -178.536 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 33.6 m -108.89 -6.01 10.92 Favored 'Isoleucine or valine' 0 C--O 1.231 0.119 0 C-N-CA 123.293 0.637 . . . . 0.0 110.766 178.923 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . -170.0 146.25 9.82 Favored Glycine 0 CA--C 1.526 0.761 0 N-CA-C 109.961 -1.256 . . . . 0.0 109.961 177.517 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 46' ' ' CYS . . . . . . . . . . . . . 42.5 t -151.1 146.26 26.04 Favored 'General case' 0 N--CA 1.451 -0.395 0 CA-C-N 116.914 0.357 . . . . 0.0 110.254 -179.135 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 92.5 p -152.06 150.65 30.17 Favored 'General case' 0 N--CA 1.451 -0.395 0 CA-C-O 121.022 0.439 . . . . 0.0 110.096 177.204 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 48' ' ' VAL . . . . . . . . . . . . . 97.5 t -128.42 149.14 32.97 Favored 'Isoleucine or valine' 0 N--CA 1.456 -0.136 0 N-CA-C 108.617 -0.882 . . . . 0.0 108.617 175.534 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 49' ' ' HIS . . . . . . . . . . . . . 48.6 m-70 -136.02 -160.18 1.03 Allowed 'General case' 0 N--CA 1.451 -0.422 0 N-CA-C 107.961 -1.126 . . . . 0.0 107.961 -176.468 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 29.3 mmmt -97.15 117.81 32.18 Favored 'General case' 0 N--CA 1.456 -0.172 0 O-C-N 121.668 -0.645 . . . . 0.0 109.801 175.969 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 83.85 -9.39 62.95 Favored Glycine 0 CA--C 1.531 1.069 0 C-N-CA 123.627 0.632 . . . . 0.0 113.188 179.4 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 44.7 p90 -153.92 170.14 21.75 Favored 'General case' 0 C--O 1.232 0.138 0 CA-C-N 118.566 1.183 . . . . 0.0 111.919 179.488 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -148.75 172.32 14.8 Favored 'General case' 0 CA--C 1.531 0.224 0 C-N-CA 124.085 0.954 . . . . 0.0 110.06 176.256 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 54' ' ' PHE . . . . . . . . . . . . . 7.6 m-85 -139.67 148.88 43.01 Favored 'General case' 0 N--CA 1.455 -0.193 0 C-N-CA 123.325 0.65 . . . . 0.0 110.647 179.034 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 99.4 t -135.67 149.18 28.04 Favored 'Isoleucine or valine' 0 CA--C 1.519 -0.238 0 C-N-CA 123.938 0.895 . . . . 0.0 108.862 177.558 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 56' ' ' GLN . . . . . . . . . . . . . 65.1 tp60 -129.28 131.68 47.03 Favored 'General case' 0 N--CA 1.451 -0.4 0 N-CA-C 109.2 -0.667 . . . . 0.0 109.2 -178.689 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 57' ' ' TYR . . . . . . . . . . . . . 45.0 m-85 -114.74 176.29 5.12 Favored 'General case' 0 N--CA 1.457 -0.103 0 C-N-CA 123.467 0.707 . . . . 0.0 110.801 -179.003 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 58' ' ' VAL . . . . . . . . . . . . . 72.1 t -72.12 -31.23 39.05 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.357 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.056 178.116 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 59' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -155.78 168.53 26.91 Favored 'General case' 0 N--CA 1.454 -0.27 0 N-CA-C 112.302 0.482 . . . . 0.0 112.302 178.133 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 76.7 tt0 -58.19 -31.49 67.35 Favored 'General case' 0 CA--C 1.529 0.165 0 C-N-CA 123.952 0.901 . . . . 0.0 112.249 -178.678 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 19.2 tpp180 -59.13 -38.76 80.43 Favored 'General case' 0 C--O 1.23 0.065 0 CA-C-N 118.864 0.757 . . . . 0.0 110.124 -179.694 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 62' ' ' ASN . . . . . . . . . . . . . 19.4 m120 -71.29 -24.95 62.25 Favored 'General case' 0 N--CA 1.451 -0.405 0 C-N-CA 121.058 -0.257 . . . . 0.0 110.868 179.839 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -76.13 -37.21 58.32 Favored 'General case' 0 N--CA 1.455 -0.211 0 N-CA-C 110.045 -0.354 . . . . 0.0 110.045 178.473 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 64' ' ' ARG . . . . . . . . . . . . . 39.6 mmt180 -67.49 -28.12 67.58 Favored 'General case' 0 C--O 1.23 0.054 0 N-CA-C 109.86 -0.422 . . . . 0.0 109.86 178.283 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -77.81 -33.09 52.63 Favored 'General case' 0 N--CA 1.453 -0.315 0 CA-C-N 117.524 0.147 . . . . 0.0 110.873 -178.833 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -83.5 -34.95 25.22 Favored 'General case' 0 N--CA 1.452 -0.336 0 N-CA-C 111.632 0.234 . . . . 0.0 111.632 179.693 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 67' ' ' VAL . . . . . . . . . . . . . 51.8 t -65.58 -30.7 50.96 Favored 'Isoleucine or valine' 0 C--O 1.227 -0.088 0 N-CA-C 110.019 -0.363 . . . . 0.0 110.019 175.805 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -95.51 -10.07 30.74 Favored 'General case' 0 CA--C 1.531 0.219 0 N-CA-C 112.156 0.428 . . . . 0.0 112.156 177.917 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . -101.71 -14.03 30.68 Favored Glycine 0 CA--C 1.529 0.949 0 CA-C-O 119.175 -0.791 . . . . 0.0 113.87 -177.673 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 41.0 mm-40 -132.37 -18.96 2.49 Favored 'General case' 0 N--CA 1.463 0.188 0 CA-C-N 118.654 1.227 . . . . 0.0 112.116 -174.194 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 20.6 t70 -61.59 117.95 6.43 Favored 'General case' 0 N--CA 1.455 -0.188 0 O-C-N 121.337 -0.852 . . . . 0.0 110.008 178.579 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . 87.4 9.7 72.16 Favored Glycine 0 C--N 1.338 0.649 0 N-CA-C 111.271 -0.732 . . . . 0.0 111.271 179.636 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 73' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -75.19 169.67 17.56 Favored 'General case' 0 N--CA 1.451 -0.407 0 N-CA-C 106.555 -1.646 . . . . 0.0 106.555 171.175 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 74' ' ' MET . . . . . . . . . . . . . 34.3 ttm -115.28 121.56 43.26 Favored 'General case' 0 N--CA 1.448 -0.563 0 N-CA-C 109.404 -0.591 . . . . 0.0 109.404 -177.12 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 75' ' ' ILE . . . . . . . . . . . . . 0.2 OUTLIER -129.14 136.35 59.8 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.286 0 N-CA-C 109.396 -0.594 . . . . 0.0 109.396 179.544 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . 54.31 17.88 1.67 Allowed 'General case' 0 CA--C 1.532 0.262 0 C-N-CA 123.146 0.578 . . . . 0.0 112.143 -174.088 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 88.68 4.53 75.93 Favored Glycine 0 CA--C 1.527 0.808 0 CA-C-O 119.64 -0.533 . . . . 0.0 112.079 -179.369 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 78' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -124.05 131.57 53.57 Favored 'General case' 0 N--CA 1.452 -0.366 0 CA-C-N 117.711 0.756 . . . . 0.0 110.151 -179.371 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 79' ' ' VAL . . . . . . . . . . . . . 51.2 t -63.59 140.92 18.87 Favored 'Isoleucine or valine' 0 N--CA 1.46 0.069 0 C-N-CA 123.985 0.914 . . . . 0.0 110.542 -178.915 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 31.0 mt -94.92 157.39 15.93 Favored 'General case' 0 C--O 1.23 0.042 0 CA-C-O 120.896 0.379 . . . . 0.0 111.437 177.354 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 81' ' ' ASP . . . . . . . . . . . . . 38.6 t70 -124.05 101.01 7.0 Favored 'General case' 0 N--CA 1.453 -0.287 0 N-CA-C 107.796 -1.187 . . . . 0.0 107.796 175.887 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 82' ' ' ILE . . . . . . . . . . . . . 62.6 mt -114.96 138.79 44.1 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.238 0 C-N-CA 122.725 0.41 . . . . 0.0 110.397 -170.83 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 83' ' ' ASN . . . . . . . . . . . . . 6.1 t30 -154.01 158.02 39.96 Favored 'General case' 0 N--CA 1.454 -0.231 0 C-N-CA 123.15 0.58 . . . . 0.0 109.594 -175.863 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 84' ' ' LEU . . . . . . . . . . . . . 9.7 tp -61.5 143.49 55.84 Favored 'General case' 0 N--CA 1.45 -0.442 0 O-C-N 121.697 -0.627 . . . . 0.0 109.832 174.886 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.532 0.288 0 N-CA-C 113.159 0.8 . . . . 0.0 113.159 -177.098 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' A' A ' 98' ' ' LYS . . . . . . . . . . . . . 71.9 mmtt . . . . . 0 C--O 1.231 0.083 0 CA-C-O 120.637 0.256 . . . . 0.0 110.777 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' A' A ' 99' ' ' ARG . . . . . . . . . . . . . 16.6 tpp180 -138.89 170.47 15.93 Favored 'General case' 0 N--CA 1.452 -0.35 0 C-N-CA 124.063 0.945 . . . . 0.0 109.96 -177.017 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 74.5 m -64.89 -14.24 59.06 Favored 'General case' 0 N--CA 1.456 -0.175 0 C-N-CA 123.386 0.674 . . . . 0.0 112.185 178.868 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 101' ' ' ALA . . . . . . . . . . . . . . . 53.12 15.76 0.66 Allowed 'General case' 0 CA--C 1.533 0.326 0 C-N-CA 123.829 0.851 . . . . 0.0 112.596 -175.764 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -148.94 15.68 0.94 Allowed 'General case' 0 CA--C 1.531 0.215 0 C-N-CA 123.564 0.745 . . . . 0.0 110.822 -178.337 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 20.9 pt-20 -69.62 -5.44 24.7 Favored 'General case' 0 CA--C 1.531 0.222 0 N-CA-C 112.531 0.567 . . . . 0.0 112.531 -176.565 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 104' ' ' MET . . . . . . . . . . . . . 73.8 mtm -105.16 7.15 33.62 Favored 'General case' 0 CA--C 1.528 0.107 0 C-N-CA 123.515 0.726 . . . . 0.0 111.17 178.839 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 105' ' ' TYR . . . . . . . . . . . . . 59.1 m-85 -133.73 4.08 3.57 Favored 'General case' 0 CA--C 1.53 0.209 0 C-N-CA 123.196 0.598 . . . . 0.0 111.77 -177.988 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 106' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--N 1.34 0.758 0 N-CA-C 110.494 -1.043 . . . . 0.0 110.494 179.766 . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' A' A ' 4' ' ' ASN . . . . . . . . . . . . . 88.9 m-20 . . . . . 0 CA--C 1.53 0.192 0 CA-C-O 120.003 -0.046 . . . . 0.0 110.979 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 84.8 t -88.98 131.09 37.19 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.277 0 CA-C-O 120.681 0.277 . . . . 0.0 111.425 -175.782 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 67.3 p -146.28 10.25 1.12 Allowed 'General case' 0 C--O 1.225 -0.19 0 CA-C-N 115.726 -0.67 . . . . 0.0 111.45 179.355 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 7' ' ' ASN . . . . . . . . . . . . . 61.4 t-20 . . . . . 0 C--O 1.232 0.154 0 CA-C-N 119.458 1.026 . . . . 0.0 111.127 -178.37 . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 18.0 m . . . . . 0 N--CA 1.455 -0.217 0 CA-C-O 120.421 0.153 . . . . 0.0 110.846 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 30.1 ttp-105 -104.85 151.72 23.48 Favored 'General case' 0 N--CA 1.454 -0.262 0 C-N-CA 123.928 0.891 . . . . 0.0 109.287 178.176 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 82.3 t -126.09 129.96 72.19 Favored 'Isoleucine or valine' 0 N--CA 1.449 -0.498 0 C-N-CA 123.234 0.613 . . . . 0.0 109.608 178.518 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 19.2 t80 -92.46 133.85 35.51 Favored 'General case' 0 N--CA 1.451 -0.39 0 CA-C-N 115.234 -0.894 . . . . 0.0 108.981 175.949 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 58.7 mt -121.52 83.89 0.83 Allowed 'Isoleucine or valine' 0 CA--C 1.52 -0.187 0 N-CA-C 107.865 -1.161 . . . . 0.0 107.865 -178.69 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -85.92 173.47 47.0 Favored Glycine 0 CA--C 1.523 0.582 0 N-CA-C 111.045 -0.822 . . . . 0.0 111.045 178.968 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 6.7 t30 51.16 43.5 29.14 Favored 'General case' 0 CA--C 1.531 0.239 0 C-N-CA 123.115 0.566 . . . . 0.0 110.364 179.894 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 60.0 tp -97.37 146.9 24.72 Favored 'General case' 0 CA--C 1.529 0.172 0 C-N-CA 124.265 1.026 . . . . 0.0 109.416 -179.723 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 64.2 t30 -68.97 -42.77 76.13 Favored 'General case' 0 N--CA 1.455 -0.211 0 O-C-N 122.147 -0.346 . . . . 0.0 110.789 -177.91 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 33.5 p 57.32 -4.08 0.04 OUTLIER 'General case' 0 N--CA 1.465 0.296 0 C-N-CA 126.958 2.103 . . . . 0.0 115.155 179.66 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 68.2 mt -83.43 -22.59 32.61 Favored 'General case' 0 N--CA 1.453 -0.324 0 O-C-N 121.894 -0.504 . . . . 0.0 111.97 174.923 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 62.1 t -121.02 -25.46 2.48 Favored 'Isoleucine or valine' 0 CA--C 1.529 0.139 0 C-N-CA 122.777 0.431 . . . . 0.0 111.747 -177.679 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 59.3 t -99.68 146.34 8.95 Favored 'Isoleucine or valine' 0 N--CA 1.461 0.118 0 CA-C-N 118.218 0.463 . . . . 0.0 110.66 179.948 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 8.2 mptt -135.61 171.45 14.43 Favored 'General case' 0 CA--C 1.521 -0.152 0 C-N-CA 123.536 0.735 . . . . 0.0 109.839 -178.764 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 7.3 ptmm? -65.21 -8.1 15.87 Favored 'General case' 0 C--N 1.332 -0.195 0 C-N-CA 124.27 1.028 . . . . 0.0 112.291 179.755 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 47.7 p -94.3 -13.22 26.69 Favored 'General case' 0 C--N 1.333 -0.124 0 C-N-CA 123.631 0.772 . . . . 0.0 110.498 176.149 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 42.8 m-20 -100.65 -35.06 9.62 Favored 'General case' 0 N--CA 1.452 -0.334 0 C-N-CA 124.491 1.117 . . . . 0.0 110.785 178.314 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 93.2 t -65.3 -31.71 55.06 Favored 'Isoleucine or valine' 0 N--CA 1.456 -0.152 0 N-CA-C 109.235 -0.654 . . . . 0.0 109.235 179.541 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 26.5 pt-20 -80.67 9.28 6.38 Favored 'General case' 0 CA--C 1.531 0.219 0 C-N-CA 122.33 0.252 . . . . 0.0 111.652 178.061 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -127.4 -7.1 5.82 Favored 'General case' 0 CA--C 1.532 0.258 0 C-N-CA 123.474 0.71 . . . . 0.0 111.049 176.143 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 74.4 mt -111.48 -27.76 2.74 Favored 'Isoleucine or valine' 0 C--N 1.34 0.178 0 C-N-CA 123.047 0.539 . . . . 0.0 110.501 178.901 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 37' ' ' PHE . . . . . . . . . . . . . 65.2 m-85 -104.24 -5.62 21.71 Favored 'General case' 0 N--CA 1.454 -0.234 0 C-N-CA 122.76 0.424 . . . . 0.0 110.988 179.513 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 68.5 p -76.68 -14.32 59.97 Favored 'General case' 0 CA--C 1.53 0.178 0 C-N-CA 122.684 0.394 . . . . 0.0 111.611 179.855 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 13.1 ptmm? -82.51 -10.91 58.81 Favored 'General case' 0 CA--C 1.528 0.121 0 C-N-CA 123.078 0.551 . . . . 0.0 112.119 178.813 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 40' ' ' TYR . . . . . . . . . . . . . 83.9 m-85 -106.07 -14.86 15.04 Favored 'General case' 0 C--O 1.233 0.187 0 C-N-CA 122.677 0.391 . . . . 0.0 111.41 177.556 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -176.78 164.27 33.73 Favored Glycine 0 C--N 1.335 0.491 0 N-CA-C 112.303 -0.319 . . . . 0.0 112.303 174.521 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 79.1 tttt -74.65 112.99 11.4 Favored 'General case' 0 N--CA 1.451 -0.386 0 N-CA-C 109.132 -0.692 . . . . 0.0 109.132 177.658 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 43' ' ' ILE . . . . . . . . . . . . . 76.7 mt -83.45 128.62 38.61 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.192 0 N-CA-C 109.66 -0.496 . . . . 0.0 109.66 -178.153 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 34.5 m -107.16 -8.53 10.68 Favored 'Isoleucine or valine' 0 C--O 1.23 0.051 0 C-N-CA 123.368 0.667 . . . . 0.0 110.608 178.883 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . -169.71 147.29 10.77 Favored Glycine 0 CA--C 1.527 0.791 0 N-CA-C 110.383 -1.087 . . . . 0.0 110.383 177.685 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 46' ' ' CYS . . . . . . . . . . . . . 54.1 t -152.3 144.21 23.71 Favored 'General case' 0 N--CA 1.451 -0.42 0 N-CA-C 109.668 -0.493 . . . . 0.0 109.668 178.401 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 32.5 t -151.1 134.54 16.22 Favored 'General case' 0 N--CA 1.451 -0.395 0 N-CA-C 109.615 -0.513 . . . . 0.0 109.615 177.112 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 48' ' ' VAL . . . . . . . . . . . . . 86.9 t -109.84 147.92 13.85 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.19 0 N-CA-C 109.262 -0.644 . . . . 0.0 109.262 178.223 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 49' ' ' HIS . . . . . . . . . . . . . 54.2 m-70 -134.26 -168.34 2.12 Favored 'General case' 0 N--CA 1.451 -0.423 0 N-CA-C 107.973 -1.121 . . . . 0.0 107.973 -177.353 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 98.0 mttt -86.71 118.8 26.35 Favored 'General case' 0 N--CA 1.454 -0.256 0 O-C-N 121.718 -0.613 . . . . 0.0 109.885 177.529 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 80.89 -9.52 52.16 Favored Glycine 0 CA--C 1.531 1.073 0 C-N-CA 123.636 0.636 . . . . 0.0 113.692 178.789 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 51.7 p90 -153.36 169.84 22.13 Favored 'General case' 0 N--CA 1.456 -0.174 0 CA-C-N 118.664 1.232 . . . . 0.0 111.632 179.291 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -147.98 172.21 14.57 Favored 'General case' 0 CA--C 1.531 0.24 0 C-N-CA 123.794 0.838 . . . . 0.0 110.428 177.001 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 54' ' ' PHE . . . . . . . . . . . . . 13.4 m-85 -138.93 147.31 42.13 Favored 'General case' 0 N--CA 1.454 -0.236 0 C-N-CA 123.802 0.841 . . . . 0.0 110.26 179.072 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 94.7 t -137.7 135.51 46.02 Favored 'Isoleucine or valine' 0 CA--C 1.519 -0.226 0 C-N-CA 123.887 0.875 . . . . 0.0 109.214 178.593 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 56' ' ' GLN . . . . . . . . . . . . . 66.9 tp60 -114.57 130.79 56.81 Favored 'General case' 0 N--CA 1.452 -0.37 0 N-CA-C 109.295 -0.632 . . . . 0.0 109.295 -178.666 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 57' ' ' TYR . . . . . . . . . . . . . 45.7 m-85 -111.33 173.66 6.23 Favored 'General case' 0 N--CA 1.455 -0.22 0 C-N-CA 123.385 0.674 . . . . 0.0 110.37 178.392 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 58' ' ' VAL . . . . . . . . . . . . . 62.8 t -70.5 -32.06 48.63 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.19 0 N-CA-C 110.083 -0.34 . . . . 0.0 110.083 178.438 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 59' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -154.98 166.56 33.19 Favored 'General case' 0 CA--C 1.53 0.194 0 CA-C-O 120.962 0.41 . . . . 0.0 112.093 178.86 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 77.0 tt0 -57.83 -29.69 65.14 Favored 'General case' 0 CA--C 1.529 0.172 0 C-N-CA 123.702 0.801 . . . . 0.0 112.641 -178.616 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 35.9 tpt85 -60.12 -37.5 80.23 Favored 'General case' 0 CA--C 1.528 0.123 0 CA-C-N 119.071 0.85 . . . . 0.0 110.075 179.909 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 62' ' ' ASN . . . . . . . . . . . . . 19.0 m120 -74.33 -25.09 59.33 Favored 'General case' 0 N--CA 1.452 -0.369 0 C-N-CA 120.822 -0.351 . . . . 0.0 111.104 178.871 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -76.6 -36.71 57.35 Favored 'General case' 0 N--CA 1.455 -0.224 0 N-CA-C 110.327 -0.249 . . . . 0.0 110.327 178.112 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 64' ' ' ARG . . . . . . . . . . . . . 31.6 mmt180 -69.86 -25.97 63.98 Favored 'General case' 0 N--CA 1.457 -0.078 0 C-N-CA 122.538 0.335 . . . . 0.0 110.374 178.629 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -79.29 -33.65 43.17 Favored 'General case' 0 N--CA 1.453 -0.3 0 O-C-N 122.49 -0.131 . . . . 0.0 111.083 179.225 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -80.29 -35.08 36.31 Favored 'General case' 0 N--CA 1.451 -0.392 0 O-C-N 122.092 -0.38 . . . . 0.0 111.103 179.812 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 67' ' ' VAL . . . . . . . . . . . . . 49.9 t -66.59 -33.56 64.29 Favored 'Isoleucine or valine' 0 N--CA 1.456 -0.156 0 N-CA-C 110.0 -0.37 . . . . 0.0 110.0 176.154 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -90.44 -9.46 47.39 Favored 'General case' 0 N--CA 1.453 -0.307 0 O-C-N 122.212 -0.305 . . . . 0.0 111.795 178.224 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . -105.04 -11.69 29.34 Favored Glycine 0 CA--C 1.531 1.073 0 CA-C-O 119.065 -0.853 . . . . 0.0 113.792 -177.256 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 28.3 mm-40 -135.33 -20.59 1.62 Allowed 'General case' 0 CA--C 1.53 0.185 0 CA-C-N 118.735 1.267 . . . . 0.0 112.554 -174.544 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 22.8 t0 -61.88 116.85 5.2 Favored 'General case' 0 N--CA 1.455 -0.2 0 O-C-N 120.909 -1.119 . . . . 0.0 109.974 178.992 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . 88.33 9.91 69.09 Favored Glycine 0 C--N 1.34 0.794 0 N-CA-C 111.141 -0.783 . . . . 0.0 111.141 179.837 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 73' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -76.29 169.51 18.09 Favored 'General case' 0 N--CA 1.452 -0.353 0 N-CA-C 106.381 -1.711 . . . . 0.0 106.381 172.133 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 74' ' ' MET . . . . . . . . . . . . . 31.5 ttm -114.72 121.03 42.09 Favored 'General case' 0 N--CA 1.45 -0.471 0 N-CA-C 109.245 -0.65 . . . . 0.0 109.245 -177.116 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 75' ' ' ILE . . . . . . . . . . . . . 0.2 OUTLIER -128.29 136.89 58.92 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.239 0 CA-C-N 115.983 -0.553 . . . . 0.0 109.979 179.621 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . 54.27 19.11 2.07 Favored 'General case' 0 CA--C 1.532 0.274 0 C-N-CA 123.097 0.559 . . . . 0.0 111.916 -173.666 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 88.05 5.07 77.45 Favored Glycine 0 CA--C 1.527 0.834 0 CA-C-O 119.835 -0.425 . . . . 0.0 112.099 -179.325 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 78' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -125.97 134.54 51.48 Favored 'General case' 0 CA--C 1.534 0.364 0 CA-C-N 117.841 0.82 . . . . 0.0 110.812 -179.397 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 79' ' ' VAL . . . . . . . . . . . . . 65.6 t -63.22 141.42 18.15 Favored 'Isoleucine or valine' 0 C--O 1.228 -0.069 0 C-N-CA 124.715 1.206 . . . . 0.0 110.884 -178.833 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 29.9 mt -97.5 157.23 16.12 Favored 'General case' 0 C--N 1.333 -0.151 0 CA-C-O 120.709 0.29 . . . . 0.0 111.54 176.064 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 81' ' ' ASP . . . . . . . . . . . . . 31.0 t70 -123.04 103.77 8.8 Favored 'General case' 0 N--CA 1.452 -0.365 0 N-CA-C 107.971 -1.122 . . . . 0.0 107.971 174.474 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 82' ' ' ILE . . . . . . . . . . . . . 64.0 mt -119.85 139.85 45.79 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.181 0 CA-C-N 116.381 -0.372 . . . . 0.0 110.511 -170.007 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 83' ' ' ASN . . . . . . . . . . . . . 1.6 p-10 -161.33 170.45 20.11 Favored 'General case' 0 CA--C 1.527 0.084 0 C-N-CA 123.543 0.737 . . . . 0.0 110.343 179.674 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 84' ' ' LEU . . . . . 0.439 ' H ' HD22 ' A' ' 84' ' ' LEU . 3.2 mm? -61.2 149.62 37.02 Favored 'General case' 0 C--O 1.227 -0.115 0 N-CA-C 108.977 -0.749 . . . . 0.0 108.977 176.025 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.534 0.333 0 N-CA-C 111.92 0.341 . . . . 0.0 111.92 178.147 . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' A' A ' 98' ' ' LYS . . . . . . . . . . . . . 61.1 mttm . . . . . 0 C--O 1.231 0.11 0 N-CA-C 112.044 0.387 . . . . 0.0 112.044 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' A' A ' 99' ' ' ARG . . . . . . . . . . . . . 2.1 mpp_? -117.9 170.94 8.41 Favored 'General case' 0 N--CA 1.457 -0.107 0 C-N-CA 124.847 1.259 . . . . 0.0 109.388 178.435 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 9.1 t -72.03 -12.64 61.32 Favored 'General case' 0 N--CA 1.455 -0.22 0 CA-C-N 116.403 -0.362 . . . . 0.0 110.981 178.909 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 101' ' ' ALA . . . . . . . . . . . . . . . 55.71 9.01 0.37 Allowed 'General case' 0 CA--C 1.534 0.346 0 C-N-CA 124.483 1.113 . . . . 0.0 113.128 -174.911 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -147.87 6.59 0.81 Allowed 'General case' 0 CA--C 1.533 0.311 0 C-N-CA 123.449 0.7 . . . . 0.0 111.367 179.022 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 12.1 pt-20 -74.6 -7.55 53.53 Favored 'General case' 0 CA--C 1.527 0.089 0 O-C-N 122.141 -0.35 . . . . 0.0 111.913 -176.581 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 104' ' ' MET . . . . . . . . . . . . . 3.9 mpp? -91.61 2.16 56.65 Favored 'General case' 0 N--CA 1.453 -0.294 0 C-N-CA 122.978 0.511 . . . . 0.0 110.819 177.034 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 105' ' ' TYR . . . . . . . . . . . . . 31.7 m-85 -133.76 4.51 3.59 Favored 'General case' 0 CA--C 1.532 0.255 0 C-N-CA 123.133 0.573 . . . . 0.0 111.572 -176.282 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 106' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.525 0.664 0 N-CA-C 111.353 -0.699 . . . . 0.0 111.353 -179.82 . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' A' A ' 4' ' ' ASN . . . . . . . . . . . . . 53.3 p-10 . . . . . 0 CA--C 1.531 0.217 0 N-CA-C 112.006 0.373 . . . . 0.0 112.006 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 94.7 t -96.51 131.61 42.87 Favored 'Isoleucine or valine' 0 N--CA 1.456 -0.163 0 C-N-CA 122.987 0.515 . . . . 0.0 110.745 -177.864 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 40.0 p -146.54 12.01 1.15 Allowed 'General case' 0 CA--C 1.529 0.162 0 C-N-CA 123.315 0.646 . . . . 0.0 111.714 179.325 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 7' ' ' ASN . . . . . . . . . . . . . 62.2 t-20 . . . . . 0 C--O 1.231 0.121 0 CA-C-N 119.137 0.88 . . . . 0.0 111.764 -177.865 . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 14.9 m . . . . . 0 CA--C 1.529 0.168 0 N-CA-C 110.64 -0.133 . . . . 0.0 110.64 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 35.5 ttm180 -111.96 155.82 23.11 Favored 'General case' 0 N--CA 1.456 -0.146 0 C-N-CA 124.472 1.109 . . . . 0.0 110.163 -176.164 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 75.0 t -131.59 133.13 62.02 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.214 0 N-CA-C 109.949 -0.389 . . . . 0.0 109.949 177.155 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 35.6 t80 -94.12 135.63 35.28 Favored 'General case' 0 N--CA 1.45 -0.443 0 N-CA-C 108.949 -0.76 . . . . 0.0 108.949 175.443 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 59.3 mt -122.45 82.44 0.76 Allowed 'Isoleucine or valine' 0 N--CA 1.457 -0.1 0 N-CA-C 107.897 -1.149 . . . . 0.0 107.897 -179.376 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -84.48 175.18 50.83 Favored Glycine 0 CA--C 1.521 0.436 0 N-CA-C 110.759 -0.936 . . . . 0.0 110.759 178.796 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 61.3 t30 48.62 46.37 21.2 Favored 'General case' 0 CA--C 1.531 0.221 0 C-N-CA 122.708 0.403 . . . . 0.0 110.771 -178.057 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 59.4 tp -98.79 144.77 27.65 Favored 'General case' 0 N--CA 1.454 -0.236 0 C-N-CA 123.114 0.566 . . . . 0.0 109.627 179.244 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 63.8 t30 -67.91 -39.15 83.6 Favored 'General case' 0 CA--C 1.528 0.13 0 C-N-CA 120.964 -0.294 . . . . 0.0 111.075 -178.112 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 35.8 p 54.14 4.86 0.06 Allowed 'General case' 0 N--CA 1.467 0.385 0 C-N-CA 126.19 1.796 . . . . 0.0 115.287 179.527 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 7.3 mp -98.87 -15.05 19.34 Favored 'General case' 0 CA--C 1.53 0.209 0 C-N-CA 123.353 0.661 . . . . 0.0 111.383 177.256 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 62.5 t -126.33 -23.71 1.79 Allowed 'Isoleucine or valine' 0 CA--C 1.528 0.11 0 C-N-CA 122.526 0.331 . . . . 0.0 110.587 179.443 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 49.7 t -102.96 145.65 11.98 Favored 'Isoleucine or valine' 0 N--CA 1.462 0.136 0 N-CA-C 110.084 -0.339 . . . . 0.0 110.084 178.515 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 8.0 mptt -135.49 172.26 13.27 Favored 'General case' 0 N--CA 1.457 -0.095 0 C-N-CA 123.304 0.642 . . . . 0.0 110.143 -178.308 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 9.5 ptmt -67.27 -4.52 10.88 Favored 'General case' 0 CA--C 1.528 0.111 0 C-N-CA 123.584 0.754 . . . . 0.0 112.125 178.159 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 32.2 m -98.76 0.61 44.81 Favored 'General case' 0 CA--C 1.531 0.216 0 C-N-CA 123.377 0.671 . . . . 0.0 110.749 173.979 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 20.0 m-20 -117.06 -32.86 4.9 Favored 'General case' 0 N--CA 1.452 -0.365 0 C-N-CA 123.897 0.879 . . . . 0.0 110.925 179.906 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 77.5 t -62.59 -31.94 53.73 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.175 0 N-CA-C 109.375 -0.602 . . . . 0.0 109.375 177.511 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 24.1 pt-20 -77.76 5.43 9.45 Favored 'General case' 0 CA--C 1.531 0.249 0 N-CA-C 112.179 0.437 . . . . 0.0 112.179 178.635 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -125.19 -8.29 7.07 Favored 'General case' 0 N--CA 1.455 -0.201 0 C-N-CA 122.815 0.446 . . . . 0.0 111.183 177.223 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 81.1 mt -108.75 -27.64 2.9 Favored 'Isoleucine or valine' 0 CA--C 1.527 0.085 0 C-N-CA 123.276 0.63 . . . . 0.0 110.942 179.756 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 37' ' ' PHE . . . . . . . . . . . . . 62.6 m-85 -104.12 -9.69 18.54 Favored 'General case' 0 N--CA 1.453 -0.312 0 C-N-CA 122.535 0.334 . . . . 0.0 110.841 179.915 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 23.3 t -75.13 -8.17 55.82 Favored 'General case' 0 CA--C 1.528 0.134 0 O-C-N 121.995 -0.44 . . . . 0.0 111.119 -178.63 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 13.1 ptmm? -85.07 -11.29 55.62 Favored 'General case' 0 CA--C 1.528 0.103 0 C-N-CA 122.779 0.432 . . . . 0.0 112.011 178.25 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 40' ' ' TYR . . . . . . . . . . . . . 67.9 m-85 -105.83 -15.5 14.92 Favored 'General case' 0 C--N 1.34 0.162 0 C-N-CA 122.518 0.327 . . . . 0.0 111.46 178.495 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -176.33 162.61 31.44 Favored Glycine 0 C--N 1.333 0.413 0 N-CA-C 111.317 -0.713 . . . . 0.0 111.317 174.737 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 56.0 tttp -72.99 114.95 11.71 Favored 'General case' 0 N--CA 1.451 -0.42 0 N-CA-C 108.644 -0.872 . . . . 0.0 108.644 178.225 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 43' ' ' ILE . . . . . . . . . . . . . 70.2 mt -82.55 130.37 35.88 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.301 0 N-CA-C 109.765 -0.457 . . . . 0.0 109.765 -179.001 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 32.5 m -108.96 -5.66 10.89 Favored 'Isoleucine or valine' 0 N--CA 1.458 -0.072 0 C-N-CA 123.201 0.6 . . . . 0.0 110.653 178.823 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . -171.09 145.66 9.07 Favored Glycine 0 CA--C 1.524 0.654 0 N-CA-C 109.824 -1.31 . . . . 0.0 109.824 177.466 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 46' ' ' CYS . . . . . . . . . . . . . 24.9 p -148.63 152.88 37.5 Favored 'General case' 0 N--CA 1.452 -0.353 0 CA-C-N 116.976 0.388 . . . . 0.0 110.057 -179.55 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 20.2 t -159.85 151.89 20.55 Favored 'General case' 0 N--CA 1.452 -0.329 0 CA-C-O 120.692 0.282 . . . . 0.0 110.417 176.218 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 48' ' ' VAL . . . . . . . . . . . . . 94.5 t -128.6 146.32 34.18 Favored 'Isoleucine or valine' 0 CA--C 1.522 -0.128 0 C-N-CA 123.4 0.68 . . . . 0.0 109.203 176.205 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 49' ' ' HIS . . . . . . . . . . . . . 53.0 m-70 -134.31 -163.98 1.44 Allowed 'General case' 0 N--CA 1.449 -0.489 0 C-N-CA 124.399 1.08 . . . . 0.0 108.13 -176.295 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 65.5 mttp -90.7 116.95 28.96 Favored 'General case' 0 N--CA 1.454 -0.261 0 N-CA-C 109.631 -0.507 . . . . 0.0 109.631 177.139 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 81.27 -9.32 54.99 Favored Glycine 0 CA--C 1.531 1.033 0 CA-C-O 119.292 -0.727 . . . . 0.0 113.531 178.548 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 46.4 p90 -150.53 170.16 19.79 Favored 'General case' 0 CA--C 1.528 0.115 0 CA-C-N 118.783 1.291 . . . . 0.0 111.661 178.149 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -148.01 172.86 13.56 Favored 'General case' 0 N--CA 1.453 -0.276 0 C-N-CA 123.95 0.9 . . . . 0.0 110.12 175.324 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 54' ' ' PHE . . . . . . . . . . . . . 13.6 m-85 -140.1 149.3 42.91 Favored 'General case' 0 N--CA 1.454 -0.237 0 C-N-CA 123.539 0.736 . . . . 0.0 110.909 -179.319 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 90.0 t -137.67 146.92 26.73 Favored 'Isoleucine or valine' 0 CA--C 1.519 -0.248 0 C-N-CA 124.084 0.954 . . . . 0.0 109.092 177.448 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 56' ' ' GLN . . . . . . . . . . . . . 68.3 tp60 -126.77 133.67 50.78 Favored 'General case' 0 N--CA 1.447 -0.62 0 N-CA-C 109.241 -0.651 . . . . 0.0 109.241 179.989 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 57' ' ' TYR . . . . . . . . . . . . . 52.4 m-85 -115.94 175.02 5.73 Favored 'General case' 0 N--CA 1.454 -0.269 0 C-N-CA 123.43 0.692 . . . . 0.0 110.62 -179.506 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 58' ' ' VAL . . . . . . . . . . . . . 74.9 t -69.39 -31.62 50.13 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.217 0 CA-C-N 116.236 -0.438 . . . . 0.0 109.933 177.82 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 59' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -155.61 166.97 31.91 Favored 'General case' 0 N--CA 1.452 -0.359 0 N-CA-C 112.167 0.432 . . . . 0.0 112.167 178.519 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 86.0 tt0 -57.47 -30.67 65.24 Favored 'General case' 0 CA--C 1.53 0.179 0 C-N-CA 123.905 0.882 . . . . 0.0 112.703 -179.216 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 26.8 tpt180 -59.2 -39.29 82.15 Favored 'General case' 0 N--CA 1.461 0.094 0 CA-C-N 119.307 0.958 . . . . 0.0 109.666 179.556 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 62' ' ' ASN . . . . . . . . . . . . . 19.7 m120 -71.48 -24.43 61.99 Favored 'General case' 0 N--CA 1.45 -0.429 0 C-N-CA 120.599 -0.441 . . . . 0.0 111.025 -179.747 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -75.07 -38.49 61.28 Favored 'General case' 0 N--CA 1.454 -0.255 0 N-CA-C 110.191 -0.3 . . . . 0.0 110.191 177.55 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 64' ' ' ARG . . . . . . . . . . . . . 36.1 mmt180 -69.19 -25.0 64.12 Favored 'General case' 0 CA--C 1.528 0.133 0 N-CA-C 110.397 -0.223 . . . . 0.0 110.397 179.25 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -80.67 -32.88 35.89 Favored 'General case' 0 N--CA 1.454 -0.262 0 O-C-N 122.519 -0.113 . . . . 0.0 110.933 -179.548 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -81.72 -34.37 30.58 Favored 'General case' 0 N--CA 1.453 -0.31 0 O-C-N 122.164 -0.335 . . . . 0.0 111.022 179.089 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 67' ' ' VAL . . . . . . . . . . . . . 45.6 t -64.87 -34.84 73.05 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.203 0 N-CA-C 109.96 -0.385 . . . . 0.0 109.96 175.05 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -90.41 -10.02 45.4 Favored 'General case' 0 CA--C 1.532 0.277 0 N-CA-C 111.867 0.321 . . . . 0.0 111.867 178.794 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . -101.71 -14.3 29.93 Favored Glycine 0 CA--C 1.53 1.019 0 CA-C-O 119.181 -0.788 . . . . 0.0 113.814 -177.418 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 41.8 mm-40 -133.62 -19.85 2.08 Favored 'General case' 0 C--N 1.34 0.185 0 CA-C-N 118.721 1.261 . . . . 0.0 112.603 -173.467 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 21.5 t0 -61.96 116.69 5.1 Favored 'General case' 0 N--CA 1.456 -0.173 0 O-C-N 121.381 -0.825 . . . . 0.0 110.011 179.052 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . 89.32 9.7 66.78 Favored Glycine 0 C--N 1.338 0.66 0 N-CA-C 111.252 -0.739 . . . . 0.0 111.252 -179.92 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 73' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -75.91 168.97 19.05 Favored 'General case' 0 N--CA 1.452 -0.356 0 N-CA-C 106.493 -1.669 . . . . 0.0 106.493 171.976 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 74' ' ' MET . . . . . . . . . . . . . 34.7 ttm -114.78 122.85 47.64 Favored 'General case' 0 N--CA 1.448 -0.536 0 N-CA-C 109.227 -0.657 . . . . 0.0 109.227 -176.93 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 75' ' ' ILE . . . . . . . . . . . . . 0.2 OUTLIER -130.44 135.95 59.5 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.393 0 N-CA-C 109.368 -0.604 . . . . 0.0 109.368 179.839 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . 54.8 17.33 1.72 Allowed 'General case' 0 CA--C 1.533 0.308 0 C-N-CA 122.977 0.511 . . . . 0.0 112.296 -174.595 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 89.54 4.9 72.72 Favored Glycine 0 CA--C 1.527 0.789 0 CA-C-O 119.644 -0.531 . . . . 0.0 111.962 -179.388 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 78' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -124.92 131.37 53.44 Favored 'General case' 0 N--CA 1.451 -0.38 0 CA-C-N 117.883 0.842 . . . . 0.0 110.255 -179.38 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 79' ' ' VAL . . . . . . . . . . . . . 47.5 t -63.12 139.81 20.65 Favored 'Isoleucine or valine' 0 CA--C 1.523 -0.086 0 C-N-CA 124.296 1.038 . . . . 0.0 110.144 -179.212 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 31.2 mt -93.62 156.72 16.55 Favored 'General case' 0 C--O 1.232 0.153 0 CA-C-O 120.691 0.282 . . . . 0.0 110.836 177.17 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 81' ' ' ASP . . . . . . . . . . . . . 33.4 t70 -123.6 102.55 7.92 Favored 'General case' 0 N--CA 1.451 -0.376 0 N-CA-C 108.221 -1.029 . . . . 0.0 108.221 174.338 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 82' ' ' ILE . . . . . . . . . . . . . 61.0 mt -117.48 138.75 47.14 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.285 0 C-N-CA 123.255 0.622 . . . . 0.0 110.397 -169.917 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 83' ' ' ASN . . . . . . . . . . . . . 2.1 p-10 -156.85 164.83 37.63 Favored 'General case' 0 N--CA 1.455 -0.219 0 CA-C-O 121.135 0.493 . . . . 0.0 111.192 179.273 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 84' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -58.99 132.05 52.87 Favored 'General case' 0 N--CA 1.452 -0.334 0 N-CA-C 108.425 -0.954 . . . . 0.0 108.425 174.924 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.532 0.288 0 N-CA-C 114.264 1.209 . . . . 0.0 114.264 -175.002 . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' A' A ' 98' ' ' LYS . . . . . . . . . . . . . 35.8 mmtp . . . . . 0 CA--C 1.529 0.154 0 N-CA-C 111.955 0.354 . . . . 0.0 111.955 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' A' A ' 99' ' ' ARG . . . . . . . . . . . . . 39.1 ptt180 -141.6 169.57 17.35 Favored 'General case' 0 N--CA 1.454 -0.263 0 C-N-CA 123.66 0.784 . . . . 0.0 110.66 -178.865 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 57.9 m -70.33 -12.42 61.57 Favored 'General case' 0 N--CA 1.456 -0.15 0 C-N-CA 122.579 0.351 . . . . 0.0 111.497 178.249 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 101' ' ' ALA . . . . . . . . . . . . . . . 52.7 12.0 0.23 Allowed 'General case' 0 CA--C 1.533 0.307 0 C-N-CA 124.683 1.193 . . . . 0.0 113.08 -175.66 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -146.92 8.42 0.96 Allowed 'General case' 0 CA--C 1.533 0.289 0 C-N-CA 123.679 0.792 . . . . 0.0 111.195 -179.151 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 12.0 pt-20 -78.17 -1.92 35.07 Favored 'General case' 0 CA--C 1.53 0.199 0 C-N-CA 123.234 0.614 . . . . 0.0 112.229 -177.228 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 104' ' ' MET . . . . . . . . . . . . . 24.7 ptp -125.81 8.49 7.51 Favored 'General case' 0 N--CA 1.453 -0.307 0 C-N-CA 123.372 0.669 . . . . 0.0 112.267 -178.65 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 105' ' ' TYR . . . . . . . . . . . . . 35.6 m-85 -126.06 -7.03 6.59 Favored 'General case' 0 CA--C 1.53 0.193 0 C-N-CA 122.961 0.504 . . . . 0.0 111.095 178.94 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 106' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.526 0.721 0 N-CA-C 111.267 -0.733 . . . . 0.0 111.267 179.716 . . . . . . . . 0 0 . 1 . 011 nuclear nobuild core ' A' A ' 4' ' ' ASN . . . . . . . . . . . . . 3.0 p-10 . . . . . 0 CA--C 1.53 0.207 0 N-CA-C 111.112 0.042 . . . . 0.0 111.112 . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild core ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 99.2 t -97.22 136.46 27.92 Favored 'Isoleucine or valine' 0 C--O 1.232 0.144 0 C-N-CA 123.101 0.561 . . . . 0.0 111.136 -176.933 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 46.2 p -146.35 3.43 0.89 Allowed 'General case' 0 C--O 1.227 -0.112 0 C-N-CA 123.497 0.719 . . . . 0.0 112.028 -179.744 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 7' ' ' ASN . . . . . . . . . . . . . 62.4 t-20 . . . . . 0 N--CA 1.455 -0.197 0 CA-C-N 119.251 0.932 . . . . 0.0 110.514 -178.33 . . . . . . . . 0 0 . 1 . 011 nuclear nobuild core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 93.6 p . . . . . 0 N--CA 1.456 -0.171 0 N-CA-C 110.469 -0.197 . . . . 0.0 110.469 . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild core ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 30.6 ttp-105 -93.12 150.07 20.78 Favored 'General case' 0 N--CA 1.452 -0.353 0 N-CA-C 109.623 -0.51 . . . . 0.0 109.623 176.315 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 94.5 t -125.82 128.84 72.41 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.435 0 C-N-CA 123.117 0.567 . . . . 0.0 109.567 178.228 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 27.8 t80 -89.03 133.74 34.23 Favored 'General case' 0 N--CA 1.449 -0.49 0 CA-C-N 115.174 -0.921 . . . . 0.0 108.985 175.76 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 63.0 mt -121.09 84.42 0.85 Allowed 'Isoleucine or valine' 0 N--CA 1.454 -0.227 0 N-CA-C 107.823 -1.177 . . . . 0.0 107.823 -179.335 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -83.99 173.76 50.72 Favored Glycine 0 CA--C 1.523 0.555 0 N-CA-C 110.912 -0.875 . . . . 0.0 110.912 178.497 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 58.3 t30 48.73 47.91 20.53 Favored 'General case' 0 CA--C 1.532 0.268 0 C-N-CA 123.433 0.693 . . . . 0.0 110.693 -178.571 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 57.3 tp -99.03 144.85 27.71 Favored 'General case' 0 CA--C 1.531 0.24 0 N-CA-C 109.285 -0.635 . . . . 0.0 109.285 179.842 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 63.6 t30 -68.71 -37.51 79.56 Favored 'General case' 0 CA--C 1.53 0.204 0 O-C-N 122.104 -0.373 . . . . 0.0 111.166 -177.315 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 48.7 p 51.44 8.12 0.05 OUTLIER 'General case' 0 N--CA 1.465 0.29 0 C-N-CA 126.415 1.886 . . . . 0.0 115.237 179.326 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 6.7 mp -101.4 -14.95 17.36 Favored 'General case' 0 CA--C 1.53 0.206 0 C-N-CA 123.439 0.696 . . . . 0.0 111.288 176.668 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 61.8 t -126.78 -23.65 1.71 Allowed 'Isoleucine or valine' 0 C--O 1.231 0.079 0 C-N-CA 122.833 0.453 . . . . 0.0 110.571 179.423 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 61.0 t -103.4 146.06 11.64 Favored 'Isoleucine or valine' 0 N--CA 1.462 0.175 0 N-CA-C 110.146 -0.316 . . . . 0.0 110.146 178.976 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 8.1 mptt -135.28 171.62 14.17 Favored 'General case' 0 C--N 1.338 0.098 0 C-N-CA 123.449 0.7 . . . . 0.0 110.297 -178.678 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 10.5 ptmt -67.07 -4.39 9.83 Favored 'General case' 0 CA--C 1.528 0.113 0 C-N-CA 123.926 0.891 . . . . 0.0 112.255 -179.95 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 60.3 p -97.21 -11.95 23.6 Favored 'General case' 0 CA--C 1.528 0.118 0 C-N-CA 123.728 0.811 . . . . 0.0 111.081 174.616 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 42.9 m-20 -103.1 -34.41 8.88 Favored 'General case' 0 N--CA 1.453 -0.294 0 C-N-CA 124.298 1.039 . . . . 0.0 111.227 179.7 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 90.5 t -65.38 -31.27 53.13 Favored 'Isoleucine or valine' 0 N--CA 1.456 -0.161 0 N-CA-C 109.325 -0.62 . . . . 0.0 109.325 -179.926 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 25.2 pt-20 -78.54 7.32 6.91 Favored 'General case' 0 CA--C 1.531 0.212 0 N-CA-C 111.89 0.33 . . . . 0.0 111.89 177.656 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -126.34 -7.33 6.42 Favored 'General case' 0 N--CA 1.454 -0.234 0 C-N-CA 123.045 0.538 . . . . 0.0 110.963 176.565 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 76.8 mt -108.58 -26.31 3.3 Favored 'Isoleucine or valine' 0 C--N 1.339 0.128 0 C-N-CA 123.221 0.608 . . . . 0.0 110.793 178.406 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 37' ' ' PHE . . . . . . . . . . . . . 60.9 m-85 -104.86 -8.4 18.72 Favored 'General case' 0 N--CA 1.454 -0.256 0 C-N-CA 122.449 0.299 . . . . 0.0 110.726 -179.858 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 73.4 p -72.57 -14.06 61.54 Favored 'General case' 0 CA--C 1.527 0.063 0 C-N-CA 122.562 0.345 . . . . 0.0 111.298 -179.025 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 13.4 ptmm? -80.94 -11.71 59.52 Favored 'General case' 0 CA--C 1.531 0.238 0 C-N-CA 123.567 0.747 . . . . 0.0 112.343 179.253 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 40' ' ' TYR . . . . . . . . . . . . . 65.9 m-85 -107.22 -16.05 14.5 Favored 'General case' 0 C--N 1.338 0.106 0 C-N-CA 122.172 0.189 . . . . 0.0 111.33 178.721 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -174.9 160.89 30.14 Favored Glycine 0 C--N 1.336 0.53 0 N-CA-C 111.966 -0.454 . . . . 0.0 111.966 175.45 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 77.1 tttt -71.44 115.12 10.24 Favored 'General case' 0 N--CA 1.45 -0.452 0 N-CA-C 108.804 -0.813 . . . . 0.0 108.804 177.612 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 43' ' ' ILE . . . . . . . . . . . . . 76.1 mt -84.56 126.71 40.25 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.344 0 N-CA-C 109.856 -0.424 . . . . 0.0 109.856 -178.616 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 33.9 m -104.05 -7.08 9.54 Favored 'Isoleucine or valine' 0 N--CA 1.458 -0.054 0 C-N-CA 123.191 0.596 . . . . 0.0 110.9 178.701 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . -172.92 147.5 9.77 Favored Glycine 0 C--N 1.335 0.514 0 N-CA-C 110.191 -1.164 . . . . 0.0 110.191 177.422 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 46' ' ' CYS . . . . . . . . . . . . . 51.7 t -151.9 146.26 25.51 Favored 'General case' 0 N--CA 1.45 -0.438 0 O-C-N 122.418 -0.46 . . . . 0.0 110.108 -179.64 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 22.7 t -153.5 149.35 27.62 Favored 'General case' 0 N--CA 1.451 -0.392 0 N-CA-C 109.806 -0.442 . . . . 0.0 109.806 176.39 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 48' ' ' VAL . . . . . . . . . . . . . 91.6 t -124.21 146.66 29.35 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.26 0 N-CA-C 109.006 -0.738 . . . . 0.0 109.006 178.119 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 49' ' ' HIS . . . . . . . . . . . . . 50.8 m-70 -131.77 -166.2 1.69 Allowed 'General case' 0 N--CA 1.452 -0.373 0 N-CA-C 108.014 -1.106 . . . . 0.0 108.014 -176.383 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 65.4 mttp -88.64 118.17 28.12 Favored 'General case' 0 N--CA 1.455 -0.224 0 N-CA-C 109.661 -0.496 . . . . 0.0 109.661 176.433 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 80.79 -7.8 57.83 Favored Glycine 0 CA--C 1.528 0.897 0 CA-C-O 119.094 -0.837 . . . . 0.0 113.9 178.283 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 52.0 p90 -154.15 170.22 21.7 Favored 'General case' 0 CA--C 1.531 0.231 0 CA-C-N 118.925 1.363 . . . . 0.0 111.375 179.076 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -149.13 172.58 14.56 Favored 'General case' 0 N--CA 1.453 -0.276 0 C-N-CA 123.556 0.743 . . . . 0.0 110.37 177.474 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 54' ' ' PHE . . . . . . . . . . . . . 11.5 m-85 -140.06 145.3 37.51 Favored 'General case' 0 N--CA 1.455 -0.211 0 C-N-CA 123.529 0.731 . . . . 0.0 110.456 179.617 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 96.2 t -136.43 138.23 46.99 Favored 'Isoleucine or valine' 0 CA--C 1.519 -0.237 0 C-N-CA 123.759 0.823 . . . . 0.0 108.787 178.622 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 56' ' ' GLN . . . . . . . . . . . . . 58.3 tp60 -117.79 130.51 56.33 Favored 'General case' 0 N--CA 1.453 -0.283 0 N-CA-C 109.576 -0.527 . . . . 0.0 109.576 -176.747 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 57' ' ' TYR . . . . . . . . . . . . . 42.8 m-85 -111.75 178.4 4.33 Favored 'General case' 0 N--CA 1.457 -0.123 0 C-N-CA 123.196 0.598 . . . . 0.0 110.687 178.855 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 58' ' ' VAL . . . . . . . . . . . . . 73.3 t -74.8 -31.51 26.33 Favored 'Isoleucine or valine' 0 N--CA 1.456 -0.149 0 CA-C-N 116.479 -0.328 . . . . 0.0 110.643 178.537 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 59' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -154.82 170.59 21.3 Favored 'General case' 0 CA--C 1.53 0.203 0 N-CA-C 112.411 0.523 . . . . 0.0 112.411 178.528 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 71.0 tt0 -60.9 -29.68 69.73 Favored 'General case' 0 CA--C 1.529 0.167 0 C-N-CA 123.021 0.528 . . . . 0.0 111.975 -177.366 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 20.3 tpp85 -60.17 -38.14 82.32 Favored 'General case' 0 C--N 1.339 0.14 0 CA-C-N 118.868 0.758 . . . . 0.0 110.082 -179.873 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 62' ' ' ASN . . . . . . . . . . . . . 19.5 m120 -71.41 -25.81 62.5 Favored 'General case' 0 N--CA 1.45 -0.45 0 O-C-N 122.11 -0.369 . . . . 0.0 110.789 179.113 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -76.28 -36.41 58.42 Favored 'General case' 0 N--CA 1.45 -0.431 0 N-CA-C 110.127 -0.323 . . . . 0.0 110.127 178.521 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 64' ' ' ARG . . . . . . . . . . . . . 28.5 mmt180 -66.86 -28.75 68.59 Favored 'General case' 0 C--O 1.227 -0.088 0 N-CA-C 110.253 -0.277 . . . . 0.0 110.253 177.838 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -78.37 -33.24 49.05 Favored 'General case' 0 N--CA 1.453 -0.278 0 O-C-N 122.525 -0.11 . . . . 0.0 110.899 -178.818 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -83.41 -34.94 25.39 Favored 'General case' 0 N--CA 1.454 -0.226 0 O-C-N 122.226 -0.296 . . . . 0.0 111.635 179.908 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 67' ' ' VAL . . . . . . . . . . . . . 53.0 t -65.25 -32.51 58.58 Favored 'Isoleucine or valine' 0 C--O 1.227 -0.105 0 N-CA-C 109.774 -0.454 . . . . 0.0 109.774 175.631 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -92.91 -10.38 36.74 Favored 'General case' 0 N--CA 1.453 -0.289 0 N-CA-C 112.277 0.473 . . . . 0.0 112.277 178.13 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . -101.86 -13.58 31.54 Favored Glycine 0 CA--C 1.532 1.094 0 CA-C-O 119.346 -0.697 . . . . 0.0 113.738 -177.485 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 47.5 mm-40 -133.79 -19.58 2.05 Favored 'General case' 0 CA--C 1.53 0.177 0 CA-C-N 118.666 1.233 . . . . 0.0 112.597 -174.275 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 20.6 t70 -61.49 118.16 6.64 Favored 'General case' 0 N--CA 1.453 -0.312 0 O-C-N 121.181 -0.949 . . . . 0.0 110.113 178.305 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . 86.78 10.83 71.9 Favored Glycine 0 C--N 1.336 0.533 0 N-CA-C 110.957 -0.857 . . . . 0.0 110.957 178.97 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 73' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -75.93 169.8 17.47 Favored 'General case' 0 N--CA 1.45 -0.465 0 N-CA-C 106.276 -1.75 . . . . 0.0 106.276 171.266 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 74' ' ' MET . . . . . . . . . . . . . 33.2 ttm -114.92 120.75 40.99 Favored 'General case' 0 N--CA 1.45 -0.464 0 N-CA-C 109.403 -0.591 . . . . 0.0 109.403 -177.276 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 75' ' ' ILE . . . . . . . . . . . . . 0.2 OUTLIER -128.49 136.03 61.01 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.277 0 N-CA-C 109.645 -0.502 . . . . 0.0 109.645 179.453 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . 54.47 17.78 1.72 Allowed 'General case' 0 CA--C 1.533 0.318 0 C-N-CA 123.129 0.572 . . . . 0.0 112.185 -174.024 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 88.88 4.31 75.57 Favored Glycine 0 CA--C 1.527 0.79 0 CA-C-O 119.816 -0.436 . . . . 0.0 112.232 -179.009 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 78' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -123.98 131.59 53.59 Favored 'General case' 0 N--CA 1.452 -0.331 0 CA-C-N 117.694 0.747 . . . . 0.0 110.418 -179.357 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 79' ' ' VAL . . . . . . . . . . . . . 48.5 t -63.93 141.41 18.21 Favored 'Isoleucine or valine' 0 C--O 1.23 0.042 0 C-N-CA 124.038 0.935 . . . . 0.0 110.462 -178.901 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 29.5 mt -95.68 156.35 16.36 Favored 'General case' 0 N--CA 1.454 -0.268 0 CA-C-O 120.926 0.394 . . . . 0.0 111.587 177.143 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 81' ' ' ASP . . . . . . . . . . . . . 4.3 m-20 -123.4 98.24 5.77 Favored 'General case' 0 N--CA 1.456 -0.139 0 N-CA-C 107.875 -1.157 . . . . 0.0 107.875 176.497 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 82' ' ' ILE . . . . . . . . . . . . . 64.6 mt -113.69 139.76 37.55 Favored 'Isoleucine or valine' 0 CA--C 1.53 0.177 0 C-N-CA 123.087 0.555 . . . . 0.0 110.556 -170.056 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 83' ' ' ASN . . . . . . . . . . . . . 11.2 t30 -157.66 165.67 34.85 Favored 'General case' 0 N--CA 1.456 -0.139 0 C-N-CA 123.329 0.652 . . . . 0.0 109.541 -175.991 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 84' ' ' LEU . . . . . . . . . . . . . 97.7 mt -63.02 151.5 39.61 Favored 'General case' 0 N--CA 1.456 -0.163 0 N-CA-C 109.436 -0.579 . . . . 0.0 109.436 173.208 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.533 0.312 0 N-CA-C 113.037 0.754 . . . . 0.0 113.037 -178.375 . . . . . . . . 0 0 . 1 . 011 nuclear nobuild core ' A' A ' 98' ' ' LYS . . . . . . . . . . . . . 74.5 mmtt . . . . . 0 CA--C 1.53 0.188 0 N-CA-C 111.499 0.185 . . . . 0.0 111.499 . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild core ' A' A ' 99' ' ' ARG . . . . . . . . . . . . . 90.1 mtt180 -113.96 173.12 6.59 Favored 'General case' 0 N--CA 1.457 -0.124 0 C-N-CA 124.023 0.929 . . . . 0.0 111.061 -179.474 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 6.3 t -67.17 -11.89 58.55 Favored 'General case' 0 N--CA 1.454 -0.263 0 C-N-CA 123.493 0.717 . . . . 0.0 111.754 -178.004 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 101' ' ' ALA . . . . . . . . . . . . . . . 56.86 10.01 0.69 Allowed 'General case' 0 CA--C 1.534 0.347 0 C-N-CA 124.363 1.065 . . . . 0.0 112.53 -174.654 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -146.22 3.82 0.92 Allowed 'General case' 0 CA--C 1.532 0.255 0 C-N-CA 123.8 0.84 . . . . 0.0 111.293 178.496 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 12.8 pt-20 -83.68 -3.71 57.99 Favored 'General case' 0 C--N 1.34 0.186 0 C-N-CA 122.622 0.369 . . . . 0.0 111.563 -177.907 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 104' ' ' MET . . . . . . . . . . . . . 73.9 mtm -110.84 9.66 22.49 Favored 'General case' 0 CA--C 1.531 0.238 0 C-N-CA 123.836 0.855 . . . . 0.0 111.481 -178.744 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 105' ' ' TYR . . . . . . . . . . . . . 65.0 m-85 -127.66 3.93 6.12 Favored 'General case' 0 C--O 1.232 0.134 0 C-N-CA 122.84 0.456 . . . . 0.0 111.461 -177.598 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 106' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--N 1.338 0.682 0 N-CA-C 111.253 -0.739 . . . . 0.0 111.253 179.885 . . . . . . . . 0 0 . 1 . 012 nuclear nobuild core ' A' A ' 4' ' ' ASN . . . . . . . . . . . . . 61.9 t30 . . . . . 0 CA--C 1.533 0.323 0 CA-C-O 120.546 0.213 . . . . 0.0 111.279 . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild core ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 97.0 t -93.71 134.3 31.85 Favored 'Isoleucine or valine' 0 N--CA 1.456 -0.16 0 O-C-N 122.115 -0.365 . . . . 0.0 111.489 -175.5 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 72.2 p -150.84 6.02 0.51 Allowed 'General case' 0 CA--C 1.533 0.322 0 C-N-CA 123.64 0.776 . . . . 0.0 111.959 -177.43 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 7' ' ' ASN . . . . . . . . . . . . . 42.2 p30 . . . . . 0 C--O 1.231 0.116 0 N-CA-C 114.087 1.143 . . . . 0.0 114.087 -173.216 . . . . . . . . 0 0 . 1 . 012 nuclear nobuild core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 86.9 p . . . . . 0 N--CA 1.454 -0.239 0 N-CA-C 110.663 -0.125 . . . . 0.0 110.663 . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild core ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 30.3 ttp-105 -95.97 150.31 20.6 Favored 'General case' 0 N--CA 1.455 -0.196 0 C-N-CA 123.152 0.581 . . . . 0.0 109.852 175.48 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 64.7 t -124.87 129.24 73.54 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.438 0 C-N-CA 123.119 0.567 . . . . 0.0 109.763 178.388 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 29.0 t80 -90.11 132.61 35.34 Favored 'General case' 0 N--CA 1.449 -0.482 0 N-CA-C 108.914 -0.772 . . . . 0.0 108.914 174.806 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 58.1 mt -120.84 83.46 0.79 Allowed 'Isoleucine or valine' 0 CA--C 1.52 -0.183 0 N-CA-C 107.667 -1.234 . . . . 0.0 107.667 -179.521 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -84.24 176.48 51.61 Favored Glycine 0 N--CA 1.448 -0.557 0 N-CA-C 110.423 -1.071 . . . . 0.0 110.423 178.165 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 49.1 t30 48.9 50.54 17.51 Favored 'General case' 0 N--CA 1.453 -0.323 0 N-CA-C 110.039 -0.356 . . . . 0.0 110.039 -177.692 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 50.0 tp -102.05 143.3 32.06 Favored 'General case' 0 N--CA 1.454 -0.243 0 N-CA-C 109.851 -0.426 . . . . 0.0 109.851 179.852 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 64.1 t30 -70.77 -37.53 73.36 Favored 'General case' 0 C--N 1.34 0.177 0 CA-C-N 117.742 0.246 . . . . 0.0 111.653 -178.061 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 24.1 p 54.1 -2.66 0.02 OUTLIER 'General case' 0 N--CA 1.468 0.425 0 C-N-CA 127.22 2.208 . . . . 0.0 115.472 179.898 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 7.3 mp -90.29 -15.99 30.16 Favored 'General case' 0 N--CA 1.453 -0.292 0 C-N-CA 123.143 0.577 . . . . 0.0 111.492 177.996 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 57.1 t -127.36 -17.66 2.64 Favored 'Isoleucine or valine' 0 CA--C 1.53 0.177 0 C-N-CA 122.667 0.387 . . . . 0.0 110.567 179.194 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 49.8 t -115.3 132.22 65.27 Favored 'Isoleucine or valine' 0 CA--C 1.521 -0.152 0 C-N-CA 122.2 0.2 . . . . 0.0 110.679 178.67 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 73.9 mmtt -123.08 176.72 5.89 Favored 'General case' 0 CA--C 1.52 -0.21 0 C-N-CA 124.018 0.927 . . . . 0.0 110.99 -176.564 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 5.3 ptmm? -69.89 -6.0 29.78 Favored 'General case' 0 N--CA 1.461 0.108 0 CA-C-N 115.207 -0.906 . . . . 0.0 111.866 -179.703 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 39.1 m -101.51 1.0 37.61 Favored 'General case' 0 N--CA 1.455 -0.176 0 C-N-CA 123.856 0.862 . . . . 0.0 110.382 174.67 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 20.8 m-20 -116.6 -32.51 5.17 Favored 'General case' 0 N--CA 1.449 -0.484 0 C-N-CA 123.769 0.828 . . . . 0.0 110.548 179.607 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 70.7 t -64.93 -31.8 55.47 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.195 0 N-CA-C 108.832 -0.803 . . . . 0.0 108.832 177.753 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 25.6 pt-20 -79.66 9.89 4.59 Favored 'General case' 0 CA--C 1.531 0.225 0 N-CA-C 111.858 0.318 . . . . 0.0 111.858 178.063 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -128.06 -7.92 5.42 Favored 'General case' 0 CA--C 1.531 0.239 0 C-N-CA 123.574 0.75 . . . . 0.0 110.891 176.406 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 75.2 mt -109.38 -26.15 3.33 Favored 'Isoleucine or valine' 0 C--N 1.338 0.107 0 C-N-CA 123.236 0.614 . . . . 0.0 110.332 178.642 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 37' ' ' PHE . . . . . . . . . . . . . 59.9 m-85 -104.1 -8.01 19.8 Favored 'General case' 0 N--CA 1.452 -0.34 0 C-N-CA 122.597 0.359 . . . . 0.0 110.865 179.661 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 67.6 p -73.12 -14.71 61.43 Favored 'General case' 0 C--O 1.231 0.113 0 C-N-CA 122.577 0.351 . . . . 0.0 111.462 -179.281 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 13.3 ptmm? -80.08 -11.71 59.74 Favored 'General case' 0 CA--C 1.528 0.12 0 C-N-CA 123.294 0.637 . . . . 0.0 112.231 179.058 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 40' ' ' TYR . . . . . . . . . . . . . 64.5 m-85 -106.98 -16.0 14.55 Favored 'General case' 0 C--O 1.231 0.081 0 C-N-CA 122.564 0.346 . . . . 0.0 111.725 178.447 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -175.26 162.75 32.46 Favored Glycine 0 CA--C 1.525 0.701 0 N-CA-C 112.111 -0.395 . . . . 0.0 112.111 175.073 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 77.1 tttt -73.16 114.5 11.41 Favored 'General case' 0 N--CA 1.454 -0.262 0 N-CA-C 108.832 -0.803 . . . . 0.0 108.832 177.373 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 43' ' ' ILE . . . . . . . . . . . . . 76.1 mt -83.88 127.97 39.27 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.192 0 N-CA-C 109.577 -0.527 . . . . 0.0 109.577 -178.651 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 33.4 m -106.56 -5.41 10.13 Favored 'Isoleucine or valine' 0 C--O 1.232 0.154 0 C-N-CA 123.215 0.606 . . . . 0.0 110.684 178.759 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . -170.51 146.23 9.64 Favored Glycine 0 C--N 1.337 0.617 0 N-CA-C 110.019 -1.232 . . . . 0.0 110.019 176.995 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 46' ' ' CYS . . . . . . . . . . . . . 43.3 t -149.7 143.36 25.42 Favored 'General case' 0 N--CA 1.451 -0.386 0 CA-C-N 117.133 0.466 . . . . 0.0 109.759 -179.706 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 96.2 p -151.13 148.17 27.95 Favored 'General case' 0 N--CA 1.45 -0.469 0 N-CA-C 109.902 -0.407 . . . . 0.0 109.902 177.441 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 48' ' ' VAL . . . . . . . . . . . . . 87.5 t -125.15 147.05 29.88 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.241 0 N-CA-C 109.165 -0.68 . . . . 0.0 109.165 175.623 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 49' ' ' HIS . . . . . . . . . . . . . 46.5 m-70 -135.34 -170.53 2.61 Favored 'General case' 0 N--CA 1.452 -0.329 0 N-CA-C 108.107 -1.072 . . . . 0.0 108.107 -176.441 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 50' ' ' LYS . . . . . 0.524 ' HD2' ' H ' ' A' ' 50' ' ' LYS . 0.0 OUTLIER -83.12 120.41 25.73 Favored 'General case' 0 N--CA 1.454 -0.252 0 O-C-N 121.822 -0.549 . . . . 0.0 110.005 177.475 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 77.44 -8.75 31.8 Favored Glycine 0 CA--C 1.531 1.052 0 CA-C-O 119.235 -0.758 . . . . 0.0 113.685 177.766 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 55.6 p90 -150.96 167.43 27.62 Favored 'General case' 0 CA--C 1.528 0.121 0 CA-C-N 119.001 1.401 . . . . 0.0 111.438 179.344 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -146.27 171.42 14.99 Favored 'General case' 0 CA--C 1.53 0.193 0 C-N-CA 123.65 0.78 . . . . 0.0 110.286 175.911 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 54' ' ' PHE . . . . . . . . . . . . . 15.0 m-85 -138.71 144.82 39.71 Favored 'General case' 0 N--CA 1.455 -0.212 0 C-N-CA 123.434 0.694 . . . . 0.0 110.586 179.725 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 97.5 t -135.72 136.73 50.07 Favored 'Isoleucine or valine' 0 CA--C 1.518 -0.25 0 C-N-CA 123.644 0.778 . . . . 0.0 109.11 178.664 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 56' ' ' GLN . . . . . . . . . . . . . 59.3 tp60 -116.42 129.98 56.52 Favored 'General case' 0 N--CA 1.451 -0.396 0 C-N-CA 122.822 0.449 . . . . 0.0 109.884 -176.739 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 57' ' ' TYR . . . . . . . . . . . . . 48.0 m-85 -111.62 175.96 5.21 Favored 'General case' 0 C--O 1.232 0.143 0 C-N-CA 122.963 0.505 . . . . 0.0 110.882 178.887 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 58' ' ' VAL . . . . . . . . . . . . . 77.6 t -73.08 -30.41 31.6 Favored 'Isoleucine or valine' 0 CA--C 1.529 0.16 0 CA-C-N 116.026 -0.534 . . . . 0.0 110.309 178.797 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 59' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -157.19 169.35 24.97 Favored 'General case' 0 N--CA 1.456 -0.141 0 N-CA-C 112.202 0.445 . . . . 0.0 112.202 178.053 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 66.4 tt0 -59.64 -29.89 68.34 Favored 'General case' 0 N--CA 1.457 -0.106 0 C-N-CA 123.579 0.752 . . . . 0.0 112.438 -177.902 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 25.5 tpt180 -59.12 -40.13 84.46 Favored 'General case' 0 C--N 1.339 0.131 0 CA-C-N 118.957 0.798 . . . . 0.0 110.101 179.729 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 62' ' ' ASN . . . . . . . . . . . . . 17.6 m120 -71.88 -25.5 61.96 Favored 'General case' 0 N--CA 1.449 -0.481 0 O-C-N 122.145 -0.347 . . . . 0.0 110.861 -179.891 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 63' ' ' ALA . . . . . 0.46 ' HB1' ' CD2' ' A' ' 84' ' ' LEU . . . -78.33 -36.3 46.5 Favored 'General case' 0 N--CA 1.454 -0.252 0 N-CA-C 110.379 -0.23 . . . . 0.0 110.379 179.08 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 64' ' ' ARG . . . . . . . . . . . . . 41.0 mmt180 -67.68 -26.84 66.39 Favored 'General case' 0 CA--C 1.523 -0.065 0 C-N-CA 122.518 0.327 . . . . 0.0 110.175 176.907 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -79.19 -33.12 44.19 Favored 'General case' 0 N--CA 1.452 -0.342 0 N-CA-C 110.719 -0.104 . . . . 0.0 110.719 -179.738 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -81.78 -34.78 30.19 Favored 'General case' 0 N--CA 1.451 -0.405 0 CA-C-N 117.765 0.257 . . . . 0.0 111.509 179.46 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 67' ' ' VAL . . . . . . . . . . . . . 47.7 t -64.84 -34.59 71.27 Favored 'Isoleucine or valine' 0 CA--C 1.524 -0.037 0 O-C-N 122.012 -0.43 . . . . 0.0 109.927 175.59 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -90.42 -10.58 43.3 Favored 'General case' 0 CA--C 1.53 0.179 0 N-CA-C 112.015 0.376 . . . . 0.0 112.015 178.94 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . -101.74 -14.4 29.61 Favored Glycine 0 CA--C 1.528 0.897 0 CA-C-O 119.113 -0.826 . . . . 0.0 113.646 -177.313 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 43.3 mm-40 -133.66 -19.82 2.07 Favored 'General case' 0 C--N 1.34 0.154 0 CA-C-N 118.601 1.201 . . . . 0.0 112.772 -173.6 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 22.7 t70 -61.67 118.7 7.44 Favored 'General case' 0 N--CA 1.456 -0.166 0 CA-C-N 119.187 0.903 . . . . 0.0 109.553 178.507 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . 86.08 10.8 74.29 Favored Glycine 0 C--N 1.336 0.544 0 N-CA-C 110.93 -0.868 . . . . 0.0 110.93 179.066 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 73' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -76.09 169.09 18.84 Favored 'General case' 0 N--CA 1.449 -0.499 0 N-CA-C 106.525 -1.658 . . . . 0.0 106.525 171.136 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 74' ' ' MET . . . . . . . . . . . . . 34.2 ttm -114.75 120.48 40.21 Favored 'General case' 0 N--CA 1.447 -0.576 0 N-CA-C 109.16 -0.682 . . . . 0.0 109.16 -177.253 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 75' ' ' ILE . . . . . . . . . . . . . 0.2 OUTLIER -127.23 134.92 64.86 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.419 0 N-CA-C 109.396 -0.594 . . . . 0.0 109.396 179.715 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . 54.45 18.09 1.82 Allowed 'General case' 0 CA--C 1.532 0.262 0 C-N-CA 123.389 0.676 . . . . 0.0 112.152 -174.748 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 89.88 4.2 72.68 Favored Glycine 0 CA--C 1.527 0.833 0 CA-C-O 119.811 -0.438 . . . . 0.0 112.359 -179.294 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 78' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -124.28 130.21 52.12 Favored 'General case' 0 N--CA 1.451 -0.399 0 CA-C-N 117.671 0.735 . . . . 0.0 110.086 -178.847 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 79' ' ' VAL . . . . . . . . . . . . . 46.0 t -63.19 141.51 18.03 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.176 0 C-N-CA 124.232 1.013 . . . . 0.0 110.409 -179.126 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 32.3 mt -96.6 156.23 16.43 Favored 'General case' 0 C--N 1.335 -0.065 0 CA-C-O 120.952 0.406 . . . . 0.0 111.192 177.257 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 81' ' ' ASP . . . . . . . . . . . . . 12.0 m-20 -122.1 106.18 10.94 Favored 'General case' 0 N--CA 1.455 -0.192 0 N-CA-C 107.679 -1.23 . . . . 0.0 107.679 174.128 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 82' ' ' ILE . . . . . . . . . . . . . 62.1 mt -121.54 137.65 54.48 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.175 0 C-N-CA 122.967 0.507 . . . . 0.0 110.921 -170.9 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 83' ' ' ASN . . . . . . . . . . . . . 2.3 p-10 -158.17 167.1 30.75 Favored 'General case' 0 CA--C 1.531 0.234 0 C-N-CA 124.279 1.032 . . . . 0.0 109.068 179.307 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 84' ' ' LEU . . . . . 0.46 ' CD2' ' HB1' ' A' ' 63' ' ' ALA . 49.8 mt -64.16 151.84 42.26 Favored 'General case' 0 CA--C 1.519 -0.229 0 O-C-N 121.857 -0.527 . . . . 0.0 109.847 176.816 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.532 0.283 0 CA-C-N 116.46 -0.336 . . . . 0.0 111.86 -179.379 . . . . . . . . 0 0 . 1 . 012 nuclear nobuild core ' A' A ' 98' ' ' LYS . . . . . . . . . . . . . 91.0 mttt . . . . . 0 CA--C 1.531 0.228 0 CA-C-O 120.42 0.153 . . . . 0.0 110.746 . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild core ' A' A ' 99' ' ' ARG . . . . . . . . . . . . . 18.9 tpt180 -104.54 174.52 5.84 Favored 'General case' 0 CA--C 1.529 0.165 0 C-N-CA 124.412 1.085 . . . . 0.0 109.37 -179.234 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 67.8 m -61.72 -16.82 52.5 Favored 'General case' 0 CA--C 1.528 0.121 0 N-CA-C 112.334 0.494 . . . . 0.0 112.334 177.444 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 101' ' ' ALA . . . . . . . . . . . . . . . 52.5 16.16 0.59 Allowed 'General case' 0 CA--C 1.536 0.409 0 C-N-CA 124.148 0.979 . . . . 0.0 112.382 -176.62 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -147.97 14.25 1.03 Allowed 'General case' 0 N--CA 1.451 -0.389 0 C-N-CA 123.358 0.663 . . . . 0.0 111.261 -179.058 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 20.4 pt-20 -70.16 -2.08 12.03 Favored 'General case' 0 CA--C 1.531 0.227 0 N-CA-C 112.599 0.592 . . . . 0.0 112.599 -177.133 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 104' ' ' MET . . . . . . . . . . . . . 75.3 mtm -110.33 6.5 22.44 Favored 'General case' 0 CA--C 1.531 0.227 0 C-N-CA 123.806 0.842 . . . . 0.0 111.545 178.342 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 105' ' ' TYR . . . . . . . . . . . . . 48.8 m-85 -134.68 2.15 3.15 Favored 'General case' 0 CA--C 1.529 0.148 0 C-N-CA 122.795 0.438 . . . . 0.0 111.651 -177.778 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 106' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--N 1.337 0.619 0 N-CA-C 110.827 -0.909 . . . . 0.0 110.827 -179.604 . . . . . . . . 0 0 . 1 . 013 nuclear nobuild core ' A' A ' 4' ' ' ASN . . . . . . . . . . . . . 2.7 p-10 . . . . . 0 CA--C 1.529 0.149 0 CA-C-O 119.872 -0.108 . . . . 0.0 111.268 . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild core ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 91.0 t -95.51 133.01 38.09 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.213 0 C-N-CA 122.884 0.474 . . . . 0.0 110.816 -177.566 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 62.3 p -146.69 10.74 1.08 Allowed 'General case' 0 CA--C 1.53 0.205 0 C-N-CA 123.485 0.714 . . . . 0.0 112.165 179.816 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 7' ' ' ASN . . . . . . . . . . . . . 63.2 t-20 . . . . . 0 CA--C 1.53 0.199 0 CA-C-N 119.193 0.906 . . . . 0.0 111.793 -179.032 . . . . . . . . 0 0 . 1 . 013 nuclear nobuild core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 15.6 m . . . . . 0 CA--C 1.531 0.222 0 N-CA-C 110.669 -0.122 . . . . 0.0 110.669 . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild core ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 36.6 ttm180 -113.32 156.64 23.01 Favored 'General case' 0 CA--C 1.523 -0.085 0 C-N-CA 124.708 1.203 . . . . 0.0 110.115 -175.77 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 64.8 t -130.27 134.09 63.05 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.176 0 CA-C-O 120.791 0.329 . . . . 0.0 110.309 177.022 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 22.3 t80 -94.19 131.72 39.47 Favored 'General case' 0 N--CA 1.451 -0.378 0 C-N-CA 123.878 0.871 . . . . 0.0 108.917 175.259 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 60.1 mt -120.09 84.3 0.83 Allowed 'Isoleucine or valine' 0 CA--C 1.521 -0.16 0 N-CA-C 108.002 -1.11 . . . . 0.0 108.002 -179.592 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -82.69 172.05 51.65 Favored Glycine 0 CA--C 1.524 0.644 0 N-CA-C 111.107 -0.797 . . . . 0.0 111.107 178.774 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 53.8 t30 49.55 49.39 20.02 Favored 'General case' 0 CA--C 1.533 0.311 0 C-N-CA 123.202 0.601 . . . . 0.0 111.237 -179.617 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 53.2 tp -98.55 144.87 27.4 Favored 'General case' 0 N--CA 1.455 -0.188 0 C-N-CA 123.121 0.568 . . . . 0.0 110.171 179.524 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 65.3 t30 -70.07 -39.81 75.4 Favored 'General case' 0 N--CA 1.457 -0.113 0 O-C-N 122.168 -0.332 . . . . 0.0 111.418 -177.963 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 18.2 p 56.46 -1.79 0.04 OUTLIER 'General case' 0 CA--C 1.532 0.265 0 C-N-CA 126.89 2.076 . . . . 0.0 115.389 -179.941 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 7.9 mp -90.78 -16.84 27.67 Favored 'General case' 0 CA--C 1.53 0.184 0 C-N-CA 123.019 0.527 . . . . 0.0 111.274 177.628 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 56.6 t -127.29 -17.89 2.62 Favored 'Isoleucine or valine' 0 CA--C 1.53 0.197 0 C-N-CA 122.754 0.422 . . . . 0.0 110.649 179.822 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 55.0 t -115.02 131.5 67.07 Favored 'Isoleucine or valine' 0 C--N 1.341 0.213 0 O-C-N 122.277 -0.264 . . . . 0.0 110.842 178.589 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 73.5 mmtt -122.64 177.76 5.3 Favored 'General case' 0 CA--C 1.522 -0.1 0 C-N-CA 123.934 0.894 . . . . 0.0 110.699 -177.536 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 10.9 ptmt -71.05 -5.64 32.89 Favored 'General case' 0 C--N 1.333 -0.11 0 C-N-CA 123.833 0.853 . . . . 0.0 112.026 -179.801 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 46.2 m -100.9 0.79 39.09 Favored 'General case' 0 C--N 1.333 -0.15 0 C-N-CA 123.967 0.907 . . . . 0.0 110.498 173.833 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 28.4 m-20 -116.26 -33.42 4.99 Favored 'General case' 0 N--CA 1.452 -0.328 0 C-N-CA 123.866 0.866 . . . . 0.0 110.649 179.69 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 75.6 t -64.69 -31.17 52.59 Favored 'Isoleucine or valine' 0 N--CA 1.456 -0.148 0 N-CA-C 108.95 -0.759 . . . . 0.0 108.95 177.951 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 25.5 pt-20 -79.8 8.09 7.43 Favored 'General case' 0 CA--C 1.532 0.27 0 O-C-N 122.14 -0.35 . . . . 0.0 111.823 178.221 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -126.08 -7.79 6.55 Favored 'General case' 0 N--CA 1.454 -0.227 0 C-N-CA 123.42 0.688 . . . . 0.0 111.025 176.315 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 79.3 mt -108.63 -27.93 2.84 Favored 'Isoleucine or valine' 0 C--N 1.338 0.1 0 C-N-CA 123.062 0.545 . . . . 0.0 110.508 178.607 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 37' ' ' PHE . . . . . . . . . . . . . 58.9 m-85 -102.47 -8.25 21.24 Favored 'General case' 0 N--CA 1.453 -0.29 0 C-N-CA 122.703 0.401 . . . . 0.0 110.933 -179.87 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 66.5 p -72.2 -14.77 61.88 Favored 'General case' 0 C--O 1.23 0.059 0 C-N-CA 122.421 0.288 . . . . 0.0 111.41 -178.758 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 13.2 ptmm? -81.5 -10.39 59.49 Favored 'General case' 0 C--O 1.233 0.2 0 C-N-CA 123.237 0.615 . . . . 0.0 112.189 179.296 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 40' ' ' TYR . . . . . . . . . . . . . 72.1 m-85 -107.09 -14.69 14.86 Favored 'General case' 0 C--O 1.233 0.191 0 C-N-CA 122.728 0.411 . . . . 0.0 111.426 177.914 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -176.37 161.2 29.31 Favored Glycine 0 C--N 1.335 0.516 0 N-CA-C 112.03 -0.428 . . . . 0.0 112.03 174.158 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 78.0 tttt -71.66 114.12 9.42 Favored 'General case' 0 N--CA 1.45 -0.44 0 N-CA-C 108.886 -0.783 . . . . 0.0 108.886 177.34 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 43' ' ' ILE . . . . . . . . . . . . . 72.8 mt -83.3 129.97 36.57 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.344 0 N-CA-C 109.664 -0.495 . . . . 0.0 109.664 -178.199 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 33.5 m -109.61 -6.72 11.2 Favored 'Isoleucine or valine' 0 N--CA 1.457 -0.098 0 C-N-CA 123.223 0.609 . . . . 0.0 110.668 178.753 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . -168.19 145.75 9.9 Favored Glycine 0 C--N 1.338 0.639 0 N-CA-C 109.994 -1.242 . . . . 0.0 109.994 176.946 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 46' ' ' CYS . . . . . . . . . . . . . 49.1 t -150.37 144.46 25.49 Favored 'General case' 0 N--CA 1.453 -0.32 0 N-CA-C 109.864 -0.421 . . . . 0.0 109.864 -179.542 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 22.7 t -153.94 148.22 25.93 Favored 'General case' 0 N--CA 1.453 -0.287 0 N-CA-C 109.986 -0.375 . . . . 0.0 109.986 177.196 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 48' ' ' VAL . . . . . . . . . . . . . 83.6 t -125.45 147.06 30.21 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.264 0 N-CA-C 109.204 -0.665 . . . . 0.0 109.204 177.184 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 49' ' ' HIS . . . . . . . . . . . . . 45.0 m-70 -133.41 -166.92 1.84 Allowed 'General case' 0 N--CA 1.45 -0.438 0 N-CA-C 107.915 -1.143 . . . . 0.0 107.915 -177.407 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 29.7 mmmt -89.78 119.32 30.07 Favored 'General case' 0 N--CA 1.457 -0.108 0 O-C-N 121.807 -0.558 . . . . 0.0 110.088 176.402 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 83.04 -12.99 46.99 Favored Glycine 0 CA--C 1.53 0.987 0 C-N-CA 123.718 0.675 . . . . 0.0 113.107 179.059 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 53.7 p90 -149.93 169.04 22.09 Favored 'General case' 0 CA--C 1.527 0.075 0 CA-C-N 118.541 1.171 . . . . 0.0 111.601 179.659 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -148.11 171.05 16.49 Favored 'General case' 0 N--CA 1.456 -0.164 0 C-N-CA 123.964 0.906 . . . . 0.0 109.881 176.458 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 54' ' ' PHE . . . . . . . . . . . . . 13.1 m-85 -139.65 146.93 40.32 Favored 'General case' 0 N--CA 1.451 -0.388 0 C-N-CA 123.364 0.665 . . . . 0.0 110.653 -179.495 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 97.8 t -135.56 146.71 29.41 Favored 'Isoleucine or valine' 0 CA--C 1.518 -0.282 0 N-CA-C 108.756 -0.831 . . . . 0.0 108.756 178.101 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 56' ' ' GLN . . . . . . . . . . . . . 68.3 tp60 -126.24 132.23 51.76 Favored 'General case' 0 N--CA 1.449 -0.477 0 N-CA-C 109.043 -0.725 . . . . 0.0 109.043 -178.776 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 57' ' ' TYR . . . . . . . . . . . . . 42.7 m-85 -114.5 175.45 5.48 Favored 'General case' 0 N--CA 1.454 -0.256 0 C-N-CA 123.577 0.751 . . . . 0.0 110.453 -179.825 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 58' ' ' VAL . . . . . . . . . . . . . 60.2 t -71.04 -30.1 39.77 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.415 0 CA-C-N 115.857 -0.611 . . . . 0.0 110.346 178.493 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 59' ' ' ASN . . . . . . . . . . . . . 0.0 OUTLIER -156.49 165.85 35.11 Favored 'General case' 0 N--CA 1.454 -0.233 0 N-CA-C 112.42 0.526 . . . . 0.0 112.42 178.063 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 82.9 tt0 -57.2 -29.81 64.02 Favored 'General case' 0 CA--C 1.528 0.13 0 C-N-CA 123.935 0.894 . . . . 0.0 112.742 -179.674 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 19.5 tpp180 -60.06 -37.73 80.74 Favored 'General case' 0 CA--C 1.529 0.147 0 CA-C-N 119.398 0.999 . . . . 0.0 109.897 179.811 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 62' ' ' ASN . . . . . . . . . . . . . 18.1 m120 -72.29 -24.74 61.38 Favored 'General case' 0 N--CA 1.45 -0.445 0 C-N-CA 120.738 -0.385 . . . . 0.0 110.956 179.125 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -75.04 -39.04 61.27 Favored 'General case' 0 N--CA 1.455 -0.219 0 N-CA-C 110.161 -0.311 . . . . 0.0 110.161 178.048 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 64' ' ' ARG . . . . . . . . . . . . . 24.1 mmt180 -66.96 -27.85 67.8 Favored 'General case' 0 C--O 1.23 0.05 0 N-CA-C 110.331 -0.248 . . . . 0.0 110.331 178.386 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -77.23 -33.79 56.04 Favored 'General case' 0 N--CA 1.452 -0.352 0 CA-C-N 117.401 0.092 . . . . 0.0 111.084 -179.261 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -83.13 -34.18 26.11 Favored 'General case' 0 N--CA 1.452 -0.35 0 O-C-N 122.237 -0.289 . . . . 0.0 111.626 179.854 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 67' ' ' VAL . . . . . . . . . . . . . 51.2 t -64.62 -33.95 66.59 Favored 'Isoleucine or valine' 0 C--O 1.23 0.054 0 N-CA-C 110.105 -0.332 . . . . 0.0 110.105 175.675 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -93.03 -10.04 37.6 Favored 'General case' 0 N--CA 1.455 -0.202 0 N-CA-C 112.186 0.439 . . . . 0.0 112.186 178.054 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . -101.2 -14.69 30.07 Favored Glycine 0 CA--C 1.529 0.925 0 CA-C-O 119.139 -0.812 . . . . 0.0 113.753 -177.504 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 45.8 mm-40 -131.85 -16.59 2.9 Favored 'General case' 0 N--CA 1.463 0.198 0 CA-C-N 118.775 1.288 . . . . 0.0 112.695 -175.011 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 25.4 t70 -60.73 119.78 8.81 Favored 'General case' 0 N--CA 1.453 -0.283 0 O-C-N 121.067 -1.021 . . . . 0.0 109.998 177.505 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . 78.64 19.28 73.86 Favored Glycine 0 CA--C 1.529 0.949 0 CA-C-O 119.931 -0.371 . . . . 0.0 112.922 177.857 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 73' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -79.97 -20.11 46.3 Favored 'General case' 0 N--CA 1.467 0.375 0 N-CA-C 113.506 0.928 . . . . 0.0 113.506 -175.118 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 74' ' ' MET . . . . . . . . . . . . . 58.1 ttm 73.34 121.51 0.04 OUTLIER 'General case' 0 C--N 1.327 -0.387 0 C-N-CA 127.058 2.143 . . . . 0.0 111.694 177.735 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 75' ' ' ILE . . . . . . . . . . . . . 0.3 OUTLIER -136.73 139.76 44.29 Favored 'Isoleucine or valine' 0 N--CA 1.446 -0.658 0 CA-C-N 115.092 -0.958 . . . . 0.0 109.44 -176.805 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . 55.28 15.53 1.37 Allowed 'General case' 0 CA--C 1.533 0.324 0 N-CA-C 112.407 0.521 . . . . 0.0 112.407 -175.318 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 91.67 4.4 67.74 Favored Glycine 0 CA--C 1.528 0.885 0 CA-C-O 119.684 -0.509 . . . . 0.0 111.879 -179.429 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 78' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -124.92 131.73 53.39 Favored 'General case' 0 N--CA 1.453 -0.28 0 CA-C-N 117.755 0.778 . . . . 0.0 109.866 -179.376 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 79' ' ' VAL . . . . . . . . . . . . . 38.7 t -65.35 139.34 21.52 Favored 'Isoleucine or valine' 0 CA--C 1.523 -0.085 0 C-N-CA 123.743 0.817 . . . . 0.0 110.453 -176.86 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 26.8 mt -94.62 156.35 16.46 Favored 'General case' 0 N--CA 1.456 -0.137 0 CA-C-O 120.816 0.341 . . . . 0.0 110.603 176.749 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 81' ' ' ASP . . . . . . . . . . . . . 6.1 m-20 -125.32 95.78 4.59 Favored 'General case' 0 N--CA 1.453 -0.304 0 N-CA-C 107.615 -1.254 . . . . 0.0 107.615 177.101 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 82' ' ' ILE . . . . . . . . . . . . . 67.0 mt -109.96 139.11 34.63 Favored 'Isoleucine or valine' 0 N--CA 1.456 -0.172 0 C-N-CA 123.273 0.629 . . . . 0.0 109.899 -170.614 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 83' ' ' ASN . . . . . . . . . . . . . 6.7 t30 -154.12 158.13 39.95 Favored 'General case' 0 CA--C 1.53 0.21 0 N-CA-C 109.783 -0.451 . . . . 0.0 109.783 -175.853 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 84' ' ' LEU . . . . . . . . . . . . . 17.6 tp -60.46 139.69 57.6 Favored 'General case' 0 N--CA 1.45 -0.45 0 N-CA-C 109.174 -0.676 . . . . 0.0 109.174 174.408 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.531 0.225 0 N-CA-C 113.5 0.926 . . . . 0.0 113.5 -175.216 . . . . . . . . 0 0 . 1 . 013 nuclear nobuild core ' A' A ' 98' ' ' LYS . . . . . . . . . . . . . 8.3 mptt . . . . . 0 CA--C 1.529 0.145 0 N-CA-C 111.553 0.205 . . . . 0.0 111.553 . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild core ' A' A ' 99' ' ' ARG . . . . . . . . . . . . . 21.4 tpt180 -136.23 170.48 15.96 Favored 'General case' 0 CA--C 1.529 0.141 0 C-N-CA 123.893 0.877 . . . . 0.0 109.121 179.234 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 67.0 m -61.87 -15.1 39.77 Favored 'General case' 0 C--O 1.232 0.135 0 N-CA-C 112.503 0.557 . . . . 0.0 112.503 179.305 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 101' ' ' ALA . . . . . . . . . . . . . . . 53.0 17.1 0.83 Allowed 'General case' 0 CA--C 1.533 0.303 0 C-N-CA 123.989 0.916 . . . . 0.0 112.209 -176.486 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -148.86 14.23 0.92 Allowed 'General case' 0 N--CA 1.454 -0.267 0 C-N-CA 123.654 0.781 . . . . 0.0 110.946 -178.558 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 20.5 pt-20 -68.36 -4.97 16.35 Favored 'General case' 0 CA--C 1.531 0.221 0 N-CA-C 112.459 0.54 . . . . 0.0 112.459 -175.989 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 104' ' ' MET . . . . . . . . . . . . . 73.5 mtm -105.84 6.54 31.7 Favored 'General case' 0 CA--C 1.533 0.295 0 C-N-CA 123.449 0.7 . . . . 0.0 111.472 178.903 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 105' ' ' TYR . . . . . . . . . . . . . 61.1 m-85 -133.52 -2.09 3.08 Favored 'General case' 0 CA--C 1.53 0.183 0 C-N-CA 122.814 0.446 . . . . 0.0 111.879 -177.599 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 106' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--N 1.339 0.735 0 N-CA-C 111.445 -0.662 . . . . 0.0 111.445 179.066 . . . . . . . . 0 0 . 1 . 014 nuclear nobuild core ' A' A ' 4' ' ' ASN . . . . . . . . . . . . . 52.8 p-10 . . . . . 0 CA--C 1.532 0.271 0 N-CA-C 111.989 0.366 . . . . 0.0 111.989 . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild core ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 96.9 t -94.67 134.0 33.64 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.18 0 C-N-CA 123.116 0.567 . . . . 0.0 110.56 -178.223 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 60.7 p -146.66 5.13 0.9 Allowed 'General case' 0 C--N 1.339 0.114 0 C-N-CA 123.205 0.602 . . . . 0.0 111.86 179.265 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 7' ' ' ASN . . . . . . . . . . . . . 62.3 t-20 . . . . . 0 N--CA 1.455 -0.182 0 O-C-N 121.338 -0.851 . . . . 0.0 110.893 -177.14 . . . . . . . . 0 0 . 1 . 014 nuclear nobuild core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 70.2 p . . . . . 0 N--CA 1.456 -0.173 0 CA-C-O 120.31 0.1 . . . . 0.0 110.996 . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild core ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 30.2 ttp-105 -100.06 154.43 18.42 Favored 'General case' 0 N--CA 1.456 -0.158 0 C-N-CA 123.576 0.75 . . . . 0.0 110.299 177.671 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 88.1 t -128.09 130.89 69.78 Favored 'Isoleucine or valine' 0 N--CA 1.449 -0.507 0 C-N-CA 123.168 0.587 . . . . 0.0 110.095 177.87 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 16.1 t80 -86.93 133.5 33.59 Favored 'General case' 0 N--CA 1.452 -0.372 0 C-N-CA 123.917 0.887 . . . . 0.0 109.052 175.08 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 64.0 mt -122.0 83.36 0.8 Allowed 'Isoleucine or valine' 0 N--CA 1.455 -0.184 0 N-CA-C 107.797 -1.186 . . . . 0.0 107.797 178.21 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -84.73 173.31 49.14 Favored Glycine 0 CA--C 1.523 0.548 0 N-CA-C 110.998 -0.841 . . . . 0.0 110.998 178.04 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 59.1 t30 48.6 49.15 18.94 Favored 'General case' 0 CA--C 1.532 0.253 0 C-N-CA 123.072 0.549 . . . . 0.0 110.858 -178.666 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 59.4 tp -101.19 146.25 27.75 Favored 'General case' 0 CA--C 1.529 0.148 0 N-CA-C 109.381 -0.6 . . . . 0.0 109.381 179.219 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 64.0 t30 -70.22 -37.25 74.99 Favored 'General case' 0 N--CA 1.455 -0.191 0 O-C-N 122.205 -0.309 . . . . 0.0 111.424 -177.338 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 49.7 p 51.95 7.52 0.05 Allowed 'General case' 0 N--CA 1.465 0.317 0 C-N-CA 126.385 1.874 . . . . 0.0 115.106 178.992 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 6.7 mp -102.03 -14.23 17.22 Favored 'General case' 0 CA--C 1.53 0.175 0 C-N-CA 123.589 0.756 . . . . 0.0 111.095 176.516 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 61.5 t -128.14 -20.14 1.93 Allowed 'Isoleucine or valine' 0 C--O 1.23 0.06 0 C-N-CA 122.937 0.495 . . . . 0.0 110.636 178.773 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 57.4 t -108.27 137.05 41.77 Favored 'Isoleucine or valine' 0 C--O 1.234 0.247 0 O-C-N 122.262 -0.273 . . . . 0.0 110.3 178.003 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -127.31 171.85 11.13 Favored 'General case' 0 C--N 1.337 0.062 0 C-N-CA 124.07 0.948 . . . . 0.0 109.753 -178.582 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 10.7 ptmt -66.77 -5.01 10.45 Favored 'General case' 0 CA--C 1.529 0.135 0 C-N-CA 123.651 0.78 . . . . 0.0 112.638 179.909 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 53.3 p -95.68 -11.63 26.8 Favored 'General case' 0 CA--C 1.529 0.148 0 C-N-CA 123.593 0.757 . . . . 0.0 110.969 174.684 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 39.4 m-20 -103.23 -34.38 8.84 Favored 'General case' 0 N--CA 1.452 -0.37 0 C-N-CA 124.451 1.1 . . . . 0.0 110.691 179.54 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 85.6 t -66.62 -30.61 50.28 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.188 0 N-CA-C 109.014 -0.736 . . . . 0.0 109.014 -179.187 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 25.5 pt-20 -80.15 8.08 7.98 Favored 'General case' 0 CA--C 1.532 0.254 0 N-CA-C 111.818 0.303 . . . . 0.0 111.818 178.178 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -125.92 -9.32 6.62 Favored 'General case' 0 N--CA 1.456 -0.17 0 C-N-CA 123.251 0.62 . . . . 0.0 111.168 176.407 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 73.3 mt -107.26 -28.1 2.87 Favored 'Isoleucine or valine' 0 C--N 1.34 0.193 0 C-N-CA 123.055 0.542 . . . . 0.0 110.591 178.692 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 37' ' ' PHE . . . . . . . . . . . . . 66.1 m-85 -101.86 -8.84 21.27 Favored 'General case' 0 N--CA 1.453 -0.311 0 C-N-CA 122.56 0.344 . . . . 0.0 111.102 179.559 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 26.6 t -73.12 -13.56 61.21 Favored 'General case' 0 CA--C 1.528 0.118 0 O-C-N 122.194 -0.317 . . . . 0.0 111.149 -178.709 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 18.3 ptmt -83.92 -10.8 57.69 Favored 'General case' 0 CA--C 1.53 0.211 0 C-N-CA 122.893 0.477 . . . . 0.0 112.031 179.714 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 40' ' ' TYR . . . . . . . . . . . . . 74.8 m-85 -106.24 -14.73 15.04 Favored 'General case' 0 N--CA 1.463 0.191 0 C-N-CA 122.643 0.377 . . . . 0.0 111.216 177.957 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -176.59 160.21 27.54 Favored Glycine 0 C--N 1.335 0.476 0 N-CA-C 111.877 -0.489 . . . . 0.0 111.877 174.673 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 78.6 tttt -72.11 114.35 10.12 Favored 'General case' 0 N--CA 1.452 -0.35 0 N-CA-C 108.744 -0.836 . . . . 0.0 108.744 178.337 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 43' ' ' ILE . . . . . . . . . . . . . 74.4 mt -83.22 129.28 37.73 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.182 0 N-CA-C 109.745 -0.465 . . . . 0.0 109.745 -178.447 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 34.1 m -108.56 -6.61 10.91 Favored 'Isoleucine or valine' 0 CA--C 1.527 0.07 0 C-N-CA 123.364 0.666 . . . . 0.0 110.731 178.329 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . -172.21 147.42 9.96 Favored Glycine 0 CA--C 1.525 0.696 0 N-CA-C 110.05 -1.22 . . . . 0.0 110.05 177.14 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 46' ' ' CYS . . . . . . . . . . . . . 52.9 t -153.04 144.82 23.56 Favored 'General case' 0 N--CA 1.45 -0.425 0 N-CA-C 109.804 -0.443 . . . . 0.0 109.804 179.777 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 22.6 t -151.53 142.85 23.38 Favored 'General case' 0 N--CA 1.45 -0.471 0 N-CA-C 109.963 -0.384 . . . . 0.0 109.963 177.265 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 48' ' ' VAL . . . . . . . . . . . . . 93.8 t -120.0 146.23 25.09 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.376 0 N-CA-C 109.186 -0.672 . . . . 0.0 109.186 178.245 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 49' ' ' HIS . . . . . . . . . . . . . 43.4 m-70 -131.78 -163.17 1.3 Allowed 'General case' 0 N--CA 1.452 -0.353 0 C-N-CA 124.458 1.103 . . . . 0.0 108.036 -176.677 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 7.0 tmtt? -93.18 114.38 26.86 Favored 'General case' 0 N--CA 1.454 -0.269 0 N-CA-C 109.307 -0.627 . . . . 0.0 109.307 177.829 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 85.62 -11.42 61.7 Favored Glycine 0 CA--C 1.528 0.888 0 CA-C-O 119.674 -0.515 . . . . 0.0 113.289 178.636 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 50.5 p90 -149.83 167.24 27.13 Favored 'General case' 0 N--CA 1.456 -0.129 0 CA-C-N 118.576 1.188 . . . . 0.0 111.545 179.254 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -148.63 172.27 14.82 Favored 'General case' 0 N--CA 1.455 -0.207 0 C-N-CA 123.837 0.855 . . . . 0.0 110.389 176.897 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 54' ' ' PHE . . . . . . . . . . . . . 21.9 m-85 -140.95 145.93 36.68 Favored 'General case' 0 N--CA 1.453 -0.308 0 C-N-CA 123.915 0.886 . . . . 0.0 110.79 179.75 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 96.8 t -135.98 136.13 49.94 Favored 'Isoleucine or valine' 0 CA--C 1.519 -0.241 0 C-N-CA 123.573 0.749 . . . . 0.0 109.181 178.17 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 56' ' ' GLN . . . . . . . . . . . . . 58.2 tp60 -115.58 130.29 56.82 Favored 'General case' 0 N--CA 1.45 -0.454 0 C-N-CA 123.343 0.657 . . . . 0.0 109.541 -177.374 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 57' ' ' TYR . . . . . . . . . . . . . 43.2 m-85 -111.38 177.25 4.72 Favored 'General case' 0 N--CA 1.454 -0.247 0 C-N-CA 123.396 0.678 . . . . 0.0 110.758 179.47 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 58' ' ' VAL . . . . . . . . . . . . . 68.7 t -72.47 -31.39 37.89 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.183 0 CA-C-N 116.517 -0.311 . . . . 0.0 110.218 178.45 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 59' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -155.36 169.55 23.97 Favored 'General case' 0 C--O 1.231 0.129 0 CA-C-O 121.144 0.497 . . . . 0.0 112.331 178.901 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 74.3 tt0 -59.55 -30.53 68.69 Favored 'General case' 0 N--CA 1.455 -0.205 0 C-N-CA 123.883 0.873 . . . . 0.0 112.215 -178.301 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 19.2 tpp180 -59.7 -38.57 81.96 Favored 'General case' 0 N--CA 1.456 -0.134 0 CA-C-N 118.912 0.778 . . . . 0.0 109.923 -179.916 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 62' ' ' ASN . . . . . . . . . . . . . 19.5 m120 -71.44 -25.04 62.14 Favored 'General case' 0 N--CA 1.452 -0.345 0 C-N-CA 121.08 -0.248 . . . . 0.0 111.047 179.637 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -74.68 -37.59 62.62 Favored 'General case' 0 N--CA 1.454 -0.228 0 N-CA-C 110.372 -0.233 . . . . 0.0 110.372 177.982 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 64' ' ' ARG . . . . . . . . . . . . . 32.1 mmt180 -69.75 -26.45 64.31 Favored 'General case' 0 N--CA 1.457 -0.088 0 N-CA-C 110.606 -0.146 . . . . 0.0 110.606 179.392 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -78.36 -33.38 49.05 Favored 'General case' 0 N--CA 1.454 -0.237 0 CA-C-N 117.389 0.086 . . . . 0.0 110.877 -179.743 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -82.31 -35.8 27.6 Favored 'General case' 0 N--CA 1.452 -0.372 0 O-C-N 122.024 -0.422 . . . . 0.0 111.452 179.217 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 67' ' ' VAL . . . . . . . . . . . . . 52.0 t -64.98 -30.78 51.37 Favored 'Isoleucine or valine' 0 C--O 1.227 -0.097 0 N-CA-C 109.904 -0.406 . . . . 0.0 109.904 176.038 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -94.33 -10.31 33.12 Favored 'General case' 0 N--CA 1.455 -0.2 0 O-C-N 122.108 -0.37 . . . . 0.0 111.857 177.772 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . -101.93 -13.08 32.69 Favored Glycine 0 CA--C 1.532 1.113 0 CA-C-O 119.216 -0.769 . . . . 0.0 113.924 -177.415 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 24.7 mm-40 -135.56 -19.38 1.63 Allowed 'General case' 0 N--CA 1.465 0.278 0 CA-C-N 118.671 1.236 . . . . 0.0 112.561 -174.282 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 18.9 t0 -61.96 118.32 7.1 Favored 'General case' 0 N--CA 1.455 -0.177 0 CA-C-N 119.425 1.011 . . . . 0.0 110.244 178.893 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . 87.2 9.96 72.27 Favored Glycine 0 C--N 1.336 0.577 0 N-CA-C 111.115 -0.794 . . . . 0.0 111.115 179.258 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 73' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -75.95 168.8 19.37 Favored 'General case' 0 N--CA 1.45 -0.427 0 N-CA-C 106.482 -1.673 . . . . 0.0 106.482 171.511 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 74' ' ' MET . . . . . . . . . . . . . 32.4 ttm -113.69 121.61 44.63 Favored 'General case' 0 N--CA 1.45 -0.453 0 N-CA-C 109.342 -0.614 . . . . 0.0 109.342 -176.97 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 75' ' ' ILE . . . . . . . . . . . . . 0.2 OUTLIER -129.11 136.39 59.72 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.28 0 N-CA-C 109.335 -0.616 . . . . 0.0 109.335 179.692 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . 54.37 17.35 1.53 Allowed 'General case' 0 CA--C 1.531 0.238 0 C-N-CA 123.324 0.649 . . . . 0.0 112.204 -174.177 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 89.61 4.66 72.86 Favored Glycine 0 CA--C 1.527 0.81 0 CA-C-O 119.753 -0.47 . . . . 0.0 112.194 -179.111 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 78' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -124.65 132.12 53.43 Favored 'General case' 0 N--CA 1.451 -0.383 0 CA-C-N 117.897 0.849 . . . . 0.0 110.503 -179.531 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 79' ' ' VAL . . . . . . . . . . . . . 47.2 t -64.29 140.08 20.29 Favored 'Isoleucine or valine' 0 N--CA 1.462 0.172 0 C-N-CA 124.492 1.117 . . . . 0.0 110.434 -179.029 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 30.4 mt -94.02 156.65 16.49 Favored 'General case' 0 N--CA 1.458 -0.075 0 CA-C-O 120.938 0.399 . . . . 0.0 111.394 177.509 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 81' ' ' ASP . . . . . . . . . . . . . 56.1 t0 -122.22 97.19 5.36 Favored 'General case' 0 N--CA 1.456 -0.15 0 N-CA-C 107.628 -1.249 . . . . 0.0 107.628 174.365 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 82' ' ' ILE . . . . . . . . . . . . . 67.4 mt -111.15 140.19 31.57 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.39 0 C-N-CA 123.156 0.582 . . . . 0.0 109.739 -171.288 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 83' ' ' ASN . . . . . . . . . . . . . 1.6 t30 -156.15 157.36 35.82 Favored 'General case' 0 N--CA 1.453 -0.31 0 CA-C-O 120.693 0.283 . . . . 0.0 110.785 -172.854 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 84' ' ' LEU . . . . . 0.4 HD22 ' HA ' ' A' ' 84' ' ' LEU . 1.2 tm? -59.58 131.06 49.79 Favored 'General case' 0 N--CA 1.453 -0.282 0 N-CA-C 107.914 -1.143 . . . . 0.0 107.914 172.6 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.532 0.288 0 N-CA-C 114.688 1.366 . . . . 0.0 114.688 -172.592 . . . . . . . . 0 0 . 1 . 014 nuclear nobuild core ' A' A ' 98' ' ' LYS . . . . . . . . . . . . . 72.7 mmtt . . . . . 0 CA--C 1.529 0.161 0 N-CA-C 111.865 0.32 . . . . 0.0 111.865 . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild core ' A' A ' 99' ' ' ARG . . . . . . . . . . . . . 83.4 mtt-85 -133.49 174.78 10.04 Favored 'General case' 0 N--CA 1.455 -0.178 0 C-N-CA 124.117 0.967 . . . . 0.0 111.044 -178.247 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 30.8 m -68.82 -10.87 59.26 Favored 'General case' 0 N--CA 1.453 -0.324 0 C-N-CA 123.662 0.785 . . . . 0.0 112.474 -179.08 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 101' ' ' ALA . . . . . . . . . . . . . . . 54.61 11.42 0.44 Allowed 'General case' 0 CA--C 1.534 0.349 0 C-N-CA 124.22 1.008 . . . . 0.0 112.967 -176.362 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -146.13 5.84 0.99 Allowed 'General case' 0 N--CA 1.454 -0.259 0 C-N-CA 123.615 0.766 . . . . 0.0 111.274 179.296 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 12.5 pt-20 -82.26 -2.17 51.72 Favored 'General case' 0 CA--C 1.53 0.183 0 C-N-CA 123.386 0.674 . . . . 0.0 112.014 -177.273 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 104' ' ' MET . . . . . . . . . . . . . 73.6 mtm -110.64 8.55 22.77 Favored 'General case' 0 C--O 1.231 0.125 0 C-N-CA 123.679 0.792 . . . . 0.0 111.68 -178.813 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 105' ' ' TYR . . . . . . . . . . . . . 38.1 m-85 -133.23 5.54 3.81 Favored 'General case' 0 CA--C 1.53 0.179 0 C-N-CA 122.743 0.417 . . . . 0.0 111.749 -177.879 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 106' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--N 1.335 0.517 0 N-CA-C 111.363 -0.695 . . . . 0.0 111.363 179.645 . . . . . . . . 0 0 . 1 . 015 nuclear nobuild core ' A' A ' 4' ' ' ASN . . . . . . . . . . . . . 64.8 t30 . . . . . 0 CA--C 1.534 0.341 0 N-CA-C 112.156 0.428 . . . . 0.0 112.156 . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild core ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 91.7 t -131.96 134.95 59.35 Favored 'Isoleucine or valine' 0 C--N 1.34 0.194 0 C-N-CA 122.943 0.497 . . . . 0.0 110.09 -179.674 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 68.5 p -147.89 1.25 0.66 Allowed 'General case' 0 CA--C 1.528 0.12 0 N-CA-C 112.251 0.463 . . . . 0.0 112.251 -176.603 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 7' ' ' ASN . . . . . . . . . . . . . 63.1 t-20 . . . . . 0 N--CA 1.455 -0.197 0 O-C-N 121.41 -0.806 . . . . 0.0 110.886 -175.957 . . . . . . . . 0 0 . 1 . 015 nuclear nobuild core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 14.6 m . . . . . 0 N--CA 1.455 -0.191 0 N-CA-C 111.114 0.042 . . . . 0.0 111.114 . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild core ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 29.9 ttp-105 -102.07 152.36 21.07 Favored 'General case' 0 C--N 1.341 0.218 0 C-N-CA 123.578 0.751 . . . . 0.0 110.036 179.545 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 79.3 t -128.76 132.74 67.37 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.243 0 C-N-CA 122.962 0.505 . . . . 0.0 109.761 177.449 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 29.8 t80 -94.78 136.17 35.4 Favored 'General case' 0 N--CA 1.452 -0.332 0 C-N-CA 124.001 0.92 . . . . 0.0 109.292 175.934 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 56.8 mt -123.26 85.98 1.0 Allowed 'Isoleucine or valine' 0 N--CA 1.455 -0.194 0 N-CA-C 108.054 -1.091 . . . . 0.0 108.054 -178.452 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -83.93 173.52 50.68 Favored Glycine 0 CA--C 1.525 0.709 0 N-CA-C 110.93 -0.868 . . . . 0.0 110.93 178.125 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 8.9 t30 50.55 42.52 26.81 Favored 'General case' 0 CA--C 1.531 0.225 0 C-N-CA 123.066 0.546 . . . . 0.0 111.097 179.199 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 53.6 tp -94.62 144.42 25.62 Favored 'General case' 0 CA--C 1.532 0.254 0 C-N-CA 123.509 0.724 . . . . 0.0 109.331 179.547 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 64.4 t30 -68.23 -36.97 80.32 Favored 'General case' 0 C--O 1.226 -0.148 0 C-N-CA 120.825 -0.35 . . . . 0.0 111.408 -178.052 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 44.5 p 51.08 8.71 0.04 OUTLIER 'General case' 0 N--CA 1.466 0.364 0 C-N-CA 126.386 1.874 . . . . 0.0 114.998 179.166 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 6.8 mp -103.82 -14.7 15.94 Favored 'General case' 0 C--O 1.23 0.064 0 C-N-CA 123.526 0.73 . . . . 0.0 111.17 176.961 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 58.3 t -127.51 -18.43 2.43 Favored 'Isoleucine or valine' 0 CA--C 1.529 0.171 0 C-N-CA 122.947 0.499 . . . . 0.0 110.54 178.467 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 65.4 t -109.1 143.05 20.03 Favored 'Isoleucine or valine' 0 CA--C 1.528 0.124 0 N-CA-C 109.71 -0.478 . . . . 0.0 109.71 177.706 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -135.81 173.29 11.88 Favored 'General case' 0 N--CA 1.457 -0.111 0 C-N-CA 123.332 0.653 . . . . 0.0 110.105 -177.869 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 3.9 ptmm? -65.59 -5.3 7.81 Favored 'General case' 0 CA--C 1.529 0.15 0 C-N-CA 124.041 0.936 . . . . 0.0 112.451 -179.426 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 54.0 p -97.68 -12.93 21.82 Favored 'General case' 0 CA--C 1.529 0.158 0 C-N-CA 123.654 0.782 . . . . 0.0 110.872 175.573 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 55.1 m-20 -100.89 -35.11 9.52 Favored 'General case' 0 N--CA 1.451 -0.402 0 C-N-CA 124.222 1.009 . . . . 0.0 111.03 178.603 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 71.4 t -63.07 -32.74 57.32 Favored 'Isoleucine or valine' 0 CA--C 1.528 0.097 0 N-CA-C 109.406 -0.59 . . . . 0.0 109.406 179.484 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 24.1 pt-20 -79.81 8.16 7.32 Favored 'General case' 0 CA--C 1.531 0.224 0 N-CA-C 111.979 0.363 . . . . 0.0 111.979 178.955 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -127.07 -7.55 5.98 Favored 'General case' 0 CA--C 1.53 0.193 0 C-N-CA 123.244 0.618 . . . . 0.0 111.426 177.159 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 74.9 mt -109.68 -27.47 2.89 Favored 'Isoleucine or valine' 0 C--O 1.226 -0.133 0 C-N-CA 123.173 0.589 . . . . 0.0 110.704 178.608 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 37' ' ' PHE . . . . . . . . . . . . . 67.5 m-85 -103.01 -9.13 20.05 Favored 'General case' 0 N--CA 1.453 -0.282 0 C-N-CA 122.497 0.319 . . . . 0.0 110.812 179.559 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 22.9 t -74.34 -11.34 60.23 Favored 'General case' 0 CA--C 1.528 0.127 0 CA-C-O 120.796 0.331 . . . . 0.0 111.096 -178.742 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 18.6 ptmt -83.47 -11.57 57.34 Favored 'General case' 0 C--N 1.339 0.151 0 C-N-CA 122.956 0.502 . . . . 0.0 111.942 179.416 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 40' ' ' TYR . . . . . . . . . . . . . 74.1 m-85 -105.17 -16.31 14.82 Favored 'General case' 0 C--O 1.231 0.119 0 C-N-CA 122.532 0.333 . . . . 0.0 111.275 178.267 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -176.37 161.0 29.01 Favored Glycine 0 C--N 1.334 0.445 0 N-CA-C 111.455 -0.658 . . . . 0.0 111.455 174.276 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 56.2 tttp -70.77 116.84 11.55 Favored 'General case' 0 N--CA 1.452 -0.326 0 N-CA-C 108.918 -0.771 . . . . 0.0 108.918 177.747 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 43' ' ' ILE . . . . . . . . . . . . . 74.5 mt -82.95 131.35 33.94 Favored 'Isoleucine or valine' 0 C--N 1.333 -0.141 0 N-CA-C 109.413 -0.588 . . . . 0.0 109.413 -178.941 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 30.6 m -114.32 -2.16 10.18 Favored 'Isoleucine or valine' 0 CA--C 1.523 -0.083 0 C-N-CA 123.899 0.879 . . . . 0.0 110.81 179.46 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . -171.62 148.16 10.77 Favored Glycine 0 CA--C 1.522 0.523 0 N-CA-C 110.131 -1.188 . . . . 0.0 110.131 177.235 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 46' ' ' CYS . . . . . . . . . . . . . 28.4 p -155.63 148.98 24.81 Favored 'General case' 0 N--CA 1.452 -0.366 0 N-CA-C 109.878 -0.416 . . . . 0.0 109.878 -178.704 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 32.8 t -158.78 139.35 12.56 Favored 'General case' 0 N--CA 1.453 -0.317 0 N-CA-C 109.285 -0.635 . . . . 0.0 109.285 176.83 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 48' ' ' VAL . . . . . . . . . . . . . 98.6 t -116.82 150.39 18.83 Favored 'Isoleucine or valine' 0 CA--C 1.519 -0.214 0 N-CA-C 109.13 -0.692 . . . . 0.0 109.13 176.653 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 49' ' ' HIS . . . . . . . . . . . . . 59.0 m-70 -135.8 -165.75 1.75 Allowed 'General case' 0 N--CA 1.45 -0.457 0 N-CA-C 108.113 -1.069 . . . . 0.0 108.113 -178.482 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 75.3 mmtt -89.37 119.33 29.74 Favored 'General case' 0 N--CA 1.455 -0.213 0 CA-C-N 118.379 0.536 . . . . 0.0 109.787 176.182 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 80.89 -10.27 47.97 Favored Glycine 0 CA--C 1.533 1.186 0 CA-C-O 119.44 -0.644 . . . . 0.0 113.775 178.354 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 49.4 p90 -151.44 168.28 25.35 Favored 'General case' 0 CA--C 1.528 0.109 0 CA-C-N 118.496 1.148 . . . . 0.0 111.56 178.879 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -149.26 171.78 15.94 Favored 'General case' 0 N--CA 1.453 -0.289 0 C-N-CA 123.795 0.838 . . . . 0.0 110.138 177.421 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 54' ' ' PHE . . . . . . . . . . . . . 22.8 m-85 -139.27 145.75 39.54 Favored 'General case' 0 N--CA 1.456 -0.127 0 C-N-CA 123.851 0.86 . . . . 0.0 110.602 179.548 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 95.9 t -136.55 140.73 42.78 Favored 'Isoleucine or valine' 0 C--O 1.226 -0.171 0 C-N-CA 123.917 0.887 . . . . 0.0 109.352 178.679 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 56' ' ' GLN . . . . . . . . . . . . . 66.6 tp60 -120.58 134.27 55.3 Favored 'General case' 0 N--CA 1.452 -0.375 0 N-CA-C 109.244 -0.65 . . . . 0.0 109.244 -177.898 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 57' ' ' TYR . . . . . . . . . . . . . 49.7 m-85 -115.03 174.38 6.01 Favored 'General case' 0 N--CA 1.455 -0.188 0 C-N-CA 123.142 0.577 . . . . 0.0 110.961 -179.453 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 58' ' ' VAL . . . . . . . . . . . . . 87.2 t -68.75 -31.85 52.51 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.214 0 CA-C-N 116.069 -0.514 . . . . 0.0 110.096 178.235 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 59' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -157.24 168.8 26.36 Favored 'General case' 0 C--O 1.233 0.191 0 N-CA-C 112.312 0.486 . . . . 0.0 112.312 176.846 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 81.1 tt0 -56.48 -31.81 64.39 Favored 'General case' 0 N--CA 1.455 -0.2 0 C-N-CA 124.107 0.963 . . . . 0.0 112.771 -179.352 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 25.7 tpt180 -58.52 -39.55 80.43 Favored 'General case' 0 C--N 1.338 0.094 0 CA-C-N 119.341 0.973 . . . . 0.0 109.969 179.919 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 62' ' ' ASN . . . . . . . . . . . . . 20.0 m120 -71.97 -24.53 61.61 Favored 'General case' 0 N--CA 1.45 -0.438 0 C-N-CA 121.134 -0.226 . . . . 0.0 110.761 -179.733 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -76.74 -37.92 55.12 Favored 'General case' 0 N--CA 1.454 -0.238 0 N-CA-C 110.264 -0.272 . . . . 0.0 110.264 178.409 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 64' ' ' ARG . . . . . . . . . . . . . 40.2 mmt180 -68.22 -25.76 65.37 Favored 'General case' 0 CA--C 1.522 -0.114 0 N-CA-C 110.385 -0.228 . . . . 0.0 110.385 178.054 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -80.33 -33.22 37.63 Favored 'General case' 0 N--CA 1.454 -0.234 0 CA-C-N 117.64 0.2 . . . . 0.0 110.857 -178.958 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -80.72 -35.23 33.75 Favored 'General case' 0 N--CA 1.454 -0.245 0 C-N-CA 121.236 -0.185 . . . . 0.0 111.257 178.935 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 67' ' ' VAL . . . . . . . . . . . . . 45.5 t -64.44 -35.12 73.45 Favored 'Isoleucine or valine' 0 N--CA 1.457 -0.089 0 N-CA-C 110.002 -0.37 . . . . 0.0 110.002 175.605 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -90.61 -10.02 44.87 Favored 'General case' 0 N--CA 1.455 -0.202 0 N-CA-C 112.104 0.409 . . . . 0.0 112.104 179.263 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . -102.87 -13.17 30.23 Favored Glycine 0 CA--C 1.531 1.081 0 CA-C-O 119.032 -0.871 . . . . 0.0 113.741 -177.534 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 42.6 mm-40 -133.46 -20.12 2.1 Favored 'General case' 0 CA--C 1.529 0.158 0 CA-C-N 118.992 1.396 . . . . 0.0 112.376 -173.401 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 24.4 t0 -62.06 116.28 4.8 Favored 'General case' 0 N--CA 1.454 -0.239 0 CA-C-N 118.991 0.814 . . . . 0.0 109.917 178.954 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . 88.92 9.83 67.48 Favored Glycine 0 CA--C 1.524 0.631 0 N-CA-C 111.167 -0.773 . . . . 0.0 111.167 179.862 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 73' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -75.62 169.88 17.25 Favored 'General case' 0 N--CA 1.45 -0.442 0 N-CA-C 106.766 -1.568 . . . . 0.0 106.766 172.05 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 74' ' ' MET . . . . . . . . . . . . . 31.1 ttm -114.81 121.61 43.8 Favored 'General case' 0 N--CA 1.451 -0.397 0 N-CA-C 109.168 -0.678 . . . . 0.0 109.168 -177.287 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 75' ' ' ILE . . . . . . . . . . . . . 0.2 OUTLIER -129.43 136.74 58.64 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.313 0 CA-C-N 116.14 -0.482 . . . . 0.0 109.9 179.525 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . 54.61 18.27 1.98 Allowed 'General case' 0 CA--C 1.533 0.295 0 C-N-CA 123.124 0.57 . . . . 0.0 112.047 -173.564 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 88.1 4.86 77.58 Favored Glycine 0 CA--C 1.528 0.865 0 CA-C-O 119.553 -0.582 . . . . 0.0 112.158 -178.815 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 78' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -125.61 134.59 51.86 Favored 'General case' 0 N--CA 1.451 -0.377 0 CA-C-N 117.889 0.845 . . . . 0.0 110.824 179.918 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 79' ' ' VAL . . . . . . . . . . . . . 59.6 t -61.78 141.36 17.75 Favored 'Isoleucine or valine' 0 N--CA 1.461 0.124 0 C-N-CA 124.781 1.232 . . . . 0.0 110.969 -179.054 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 29.6 mt -97.12 158.0 15.65 Favored 'General case' 0 N--CA 1.456 -0.136 0 CA-C-O 120.793 0.33 . . . . 0.0 111.355 175.444 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 81' ' ' ASP . . . . . . . . . . . . . 34.6 t70 -124.31 101.71 7.31 Favored 'General case' 0 N--CA 1.454 -0.243 0 N-CA-C 108.03 -1.1 . . . . 0.0 108.03 175.858 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 82' ' ' ILE . . . . . . . . . . . . . 61.3 mt -118.75 139.65 45.31 Favored 'Isoleucine or valine' 0 C--O 1.232 0.168 0 C-N-CA 122.84 0.456 . . . . 0.0 110.656 -170.392 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 83' ' ' ASN . . . . . . . . . . . . . 1.2 p-10 -159.3 166.89 30.26 Favored 'General case' 0 N--CA 1.456 -0.15 0 C-N-CA 123.362 0.665 . . . . 0.0 109.897 178.049 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 84' ' ' LEU . . . . . . . . . . . . . 4.8 tp -59.01 145.95 40.02 Favored 'General case' 0 N--CA 1.451 -0.405 0 N-CA-C 109.557 -0.535 . . . . 0.0 109.557 176.348 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.455 -0.212 0 N-CA-C 113.071 0.767 . . . . 0.0 113.071 -176.53 . . . . . . . . 0 0 . 1 . 015 nuclear nobuild core ' A' A ' 98' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.455 -0.222 0 N-CA-C 111.843 0.312 . . . . 0.0 111.843 . . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 99' ' ' ARG . . . . . . . . . . . . . 3.0 mpt_? -109.7 173.16 6.45 Favored 'General case' 0 CA--C 1.522 -0.131 0 C-N-CA 123.994 0.918 . . . . 0.0 110.316 179.904 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 45.5 m -68.49 -11.19 59.48 Favored 'General case' 0 N--CA 1.453 -0.278 0 C-N-CA 123.387 0.675 . . . . 0.0 112.135 179.108 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 101' ' ' ALA . . . . . . . . . . . . . . . 52.69 13.41 0.33 Allowed 'General case' 0 CA--C 1.534 0.362 0 C-N-CA 124.316 1.046 . . . . 0.0 112.798 -175.317 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -148.13 7.24 0.8 Allowed 'General case' 0 CA--C 1.532 0.274 0 C-N-CA 123.943 0.897 . . . . 0.0 111.445 -179.742 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 13.0 pt-20 -90.05 -1.39 57.95 Favored 'General case' 0 CA--C 1.531 0.227 0 C-N-CA 123.172 0.589 . . . . 0.0 111.905 -176.732 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 104' ' ' MET . . . . . . . . . . . . . 25.3 ptp -127.19 9.69 6.77 Favored 'General case' 0 N--CA 1.455 -0.197 0 C-N-CA 123.315 0.646 . . . . 0.0 112.621 -175.123 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 105' ' ' TYR . . . . . . . . . . . . . 51.2 m-85 -122.09 -5.89 8.94 Favored 'General case' 0 C--N 1.333 -0.121 0 C-N-CA 122.741 0.416 . . . . 0.0 111.739 179.226 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 106' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--N 1.337 0.639 0 N-CA-C 111.809 -0.517 . . . . 0.0 111.809 179.339 . . . . . . . . 0 0 . 1 . 016 nuclear nobuild core ' A' A ' 4' ' ' ASN . . . . . . . . . . . . . 89.9 m-20 . . . . . 0 CA--C 1.531 0.218 0 N-CA-C 110.872 -0.047 . . . . 0.0 110.872 . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild core ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 97.7 t -95.27 132.57 38.94 Favored 'Isoleucine or valine' 0 CA--C 1.521 -0.147 0 C-N-CA 122.861 0.464 . . . . 0.0 111.19 -174.752 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 74.6 p -147.86 12.32 0.99 Allowed 'General case' 0 C--O 1.226 -0.136 0 C-N-CA 123.554 0.742 . . . . 0.0 111.232 -178.259 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 7' ' ' ASN . . . . . . . . . . . . . 45.1 t30 . . . . . 0 CA--C 1.532 0.273 0 CA-C-N 118.718 0.69 . . . . 0.0 112.502 -174.654 . . . . . . . . 0 0 . 1 . 016 nuclear nobuild core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 77.5 p . . . . . 0 N--CA 1.455 -0.219 0 CA-C-O 120.351 0.12 . . . . 0.0 111.005 . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild core ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 28.3 ttp-105 -101.42 153.56 19.57 Favored 'General case' 0 N--CA 1.456 -0.164 0 C-N-CA 123.52 0.728 . . . . 0.0 110.217 177.773 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 61.5 t -127.56 130.79 70.52 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.405 0 C-N-CA 123.189 0.596 . . . . 0.0 109.828 177.669 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 18.4 t80 -90.1 131.59 35.88 Favored 'General case' 0 N--CA 1.452 -0.349 0 C-N-CA 124.372 1.069 . . . . 0.0 109.145 175.559 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 57.1 mt -121.8 84.77 0.88 Allowed 'Isoleucine or valine' 0 CA--C 1.521 -0.143 0 N-CA-C 108.053 -1.092 . . . . 0.0 108.053 -179.965 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -86.65 175.36 47.18 Favored Glycine 0 CA--C 1.522 0.512 0 N-CA-C 111.308 -0.717 . . . . 0.0 111.308 178.365 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 6.6 t30 51.0 42.99 29.1 Favored 'General case' 0 CA--C 1.533 0.308 0 C-N-CA 123.095 0.558 . . . . 0.0 110.706 179.908 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 59.5 tp -97.56 146.72 24.99 Favored 'General case' 0 N--CA 1.455 -0.187 0 C-N-CA 123.731 0.812 . . . . 0.0 109.317 -179.459 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 63.7 t30 -68.86 -37.17 78.91 Favored 'General case' 0 CA--C 1.529 0.166 0 O-C-N 122.292 -0.255 . . . . 0.0 111.199 -177.972 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 63.0 p 51.17 9.13 0.05 Allowed 'General case' 0 N--CA 1.466 0.373 0 C-N-CA 126.335 1.854 . . . . 0.0 114.956 179.112 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 6.7 mp -102.44 -14.8 16.71 Favored 'General case' 0 CA--C 1.53 0.186 0 C-N-CA 123.707 0.803 . . . . 0.0 111.319 176.494 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 60.9 t -128.9 -21.66 1.54 Allowed 'Isoleucine or valine' 0 CA--C 1.528 0.115 0 C-N-CA 122.761 0.425 . . . . 0.0 110.479 178.977 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 90.5 t -101.89 136.76 32.39 Favored 'Isoleucine or valine' 0 C--N 1.34 0.17 0 N-CA-C 110.078 -0.341 . . . . 0.0 110.078 177.506 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 3.6 mppt? -130.32 172.04 12.28 Favored 'General case' 0 N--CA 1.456 -0.157 0 C-N-CA 124.255 1.022 . . . . 0.0 109.059 -179.363 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 6.0 ptmm? -64.89 -8.0 13.67 Favored 'General case' 0 CA--C 1.529 0.135 0 C-N-CA 123.529 0.732 . . . . 0.0 111.99 -179.804 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 31.9 m -96.06 -2.94 45.7 Favored 'General case' 0 CA--C 1.529 0.139 0 C-N-CA 123.213 0.605 . . . . 0.0 110.653 176.31 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 42.1 m-20 -110.64 -36.39 5.74 Favored 'General case' 0 N--CA 1.451 -0.411 0 C-N-CA 124.19 0.996 . . . . 0.0 109.682 178.552 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 92.9 t -62.19 -31.63 52.11 Favored 'Isoleucine or valine' 0 N--CA 1.456 -0.163 0 N-CA-C 109.757 -0.46 . . . . 0.0 109.757 178.083 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 23.5 pt-20 -79.33 4.97 13.65 Favored 'General case' 0 CA--C 1.531 0.238 0 N-CA-C 112.125 0.417 . . . . 0.0 112.125 178.744 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -124.87 -7.03 7.28 Favored 'General case' 0 N--CA 1.455 -0.19 0 C-N-CA 123.183 0.593 . . . . 0.0 111.054 177.22 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 76.5 mt -111.42 -27.91 2.71 Favored 'Isoleucine or valine' 0 N--CA 1.457 -0.091 0 C-N-CA 122.954 0.502 . . . . 0.0 110.989 179.338 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 37' ' ' PHE . . . . . . . . . . . . . 71.0 m-85 -104.87 -6.26 20.36 Favored 'General case' 0 N--CA 1.451 -0.409 0 C-N-CA 122.619 0.367 . . . . 0.0 111.202 179.215 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 23.8 t -77.24 -10.44 59.42 Favored 'General case' 0 CA--C 1.531 0.216 0 O-C-N 122.184 -0.322 . . . . 0.0 111.007 -179.869 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 13.5 ptmm? -84.09 -11.5 56.57 Favored 'General case' 0 CA--C 1.527 0.096 0 C-N-CA 122.979 0.512 . . . . 0.0 112.305 178.914 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 40' ' ' TYR . . . . . . . . . . . . . 64.0 m-85 -107.18 -15.56 14.63 Favored 'General case' 0 C--O 1.233 0.236 0 C-N-CA 122.409 0.284 . . . . 0.0 111.302 178.383 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -173.92 164.26 35.58 Favored Glycine 0 CA--C 1.523 0.534 0 N-CA-C 112.045 -0.422 . . . . 0.0 112.045 175.156 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 78.3 tttt -75.73 113.26 12.99 Favored 'General case' 0 N--CA 1.452 -0.332 0 N-CA-C 109.11 -0.7 . . . . 0.0 109.11 177.922 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 43' ' ' ILE . . . . . . . . . . . . . 73.7 mt -82.59 127.26 39.82 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.295 0 N-CA-C 109.722 -0.473 . . . . 0.0 109.722 -178.445 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 34.6 m -107.76 -12.04 10.58 Favored 'Isoleucine or valine' 0 C--O 1.23 0.045 0 C-N-CA 123.179 0.592 . . . . 0.0 110.523 179.546 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . -164.08 147.72 13.35 Favored Glycine 0 CA--C 1.523 0.561 0 N-CA-C 110.094 -1.203 . . . . 0.0 110.094 179.043 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 46' ' ' CYS . . . . . . . . . . . . . 31.9 p -153.6 149.05 27.2 Favored 'General case' 0 N--CA 1.452 -0.372 0 CA-C-N 116.959 0.379 . . . . 0.0 110.402 179.742 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 32.6 t -156.61 135.46 11.77 Favored 'General case' 0 N--CA 1.452 -0.374 0 N-CA-C 110.107 -0.331 . . . . 0.0 110.107 177.201 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 48' ' ' VAL . . . . . . . . . . . . . 80.1 t -110.78 148.01 14.47 Favored 'Isoleucine or valine' 0 N--CA 1.456 -0.174 0 N-CA-C 109.573 -0.529 . . . . 0.0 109.573 176.116 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 49' ' ' HIS . . . . . . . . . . . . . 54.9 m-70 -132.44 -164.83 1.51 Allowed 'General case' 0 N--CA 1.453 -0.279 0 N-CA-C 108.004 -1.11 . . . . 0.0 108.004 -178.103 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 75.4 mmtt -92.63 118.86 31.48 Favored 'General case' 0 N--CA 1.457 -0.123 0 N-CA-C 109.64 -0.504 . . . . 0.0 109.64 176.513 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 81.11 -8.85 56.6 Favored Glycine 0 CA--C 1.529 0.948 0 C-N-CA 123.681 0.658 . . . . 0.0 113.525 179.3 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 45.8 p90 -153.06 168.51 25.65 Favored 'General case' 0 C--N 1.339 0.136 0 CA-C-N 118.521 1.16 . . . . 0.0 111.556 178.252 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -147.69 171.84 15.01 Favored 'General case' 0 CA--C 1.53 0.21 0 C-N-CA 124.031 0.932 . . . . 0.0 110.032 176.748 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 54' ' ' PHE . . . . . . . . . . . . . 10.6 m-85 -139.57 145.25 38.38 Favored 'General case' 0 N--CA 1.453 -0.303 0 C-N-CA 123.89 0.876 . . . . 0.0 110.405 179.729 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 87.5 t -135.88 137.5 48.88 Favored 'Isoleucine or valine' 0 CA--C 1.517 -0.326 0 C-N-CA 123.592 0.757 . . . . 0.0 109.148 178.737 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 56' ' ' GLN . . . . . . . . . . . . . 63.0 tp60 -117.09 128.7 55.4 Favored 'General case' 0 N--CA 1.451 -0.394 0 N-CA-C 109.443 -0.576 . . . . 0.0 109.443 -176.907 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 57' ' ' TYR . . . . . . . . . . . . . 41.9 m-85 -110.85 177.2 4.74 Favored 'General case' 0 N--CA 1.455 -0.209 0 C-N-CA 123.533 0.733 . . . . 0.0 110.671 179.721 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 58' ' ' VAL . . . . . . . . . . . . . 53.3 t -73.33 -31.72 34.87 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.275 0 CA-C-N 116.367 -0.379 . . . . 0.0 110.561 178.188 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 59' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -153.64 168.58 25.74 Favored 'General case' 0 N--CA 1.453 -0.318 0 CA-C-O 121.395 0.616 . . . . 0.0 112.647 179.105 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 74.2 tt0 -59.83 -28.84 67.82 Favored 'General case' 0 CA--C 1.529 0.151 0 C-N-CA 124.354 1.061 . . . . 0.0 112.377 -177.415 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 26.3 tpt180 -63.03 -39.76 95.71 Favored 'General case' 0 C--N 1.339 0.11 0 CA-C-N 118.538 0.608 . . . . 0.0 110.159 179.217 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 62' ' ' ASN . . . . . . . . . . . . . 19.8 m120 -69.69 -27.13 64.75 Favored 'General case' 0 N--CA 1.451 -0.409 0 C-N-CA 120.648 -0.421 . . . . 0.0 110.762 -179.56 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -71.44 -40.58 70.29 Favored 'General case' 0 N--CA 1.453 -0.321 0 N-CA-C 110.164 -0.309 . . . . 0.0 110.164 178.628 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 64' ' ' ARG . . . . . . . . . . . . . 93.4 mtt-85 -72.75 -21.25 61.05 Favored 'General case' 0 CA--C 1.523 -0.087 0 C-N-CA 121.193 -0.203 . . . . 0.0 111.357 -178.118 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -78.88 -32.46 45.86 Favored 'General case' 0 N--CA 1.452 -0.331 0 N-CA-C 110.242 -0.281 . . . . 0.0 110.242 177.924 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -83.33 -33.73 25.83 Favored 'General case' 0 N--CA 1.454 -0.265 0 O-C-N 122.356 -0.215 . . . . 0.0 110.95 178.52 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 67' ' ' VAL . . . . . . . . . . . . . 49.0 t -65.39 -30.9 51.64 Favored 'Isoleucine or valine' 0 C--O 1.227 -0.104 0 N-CA-C 110.216 -0.29 . . . . 0.0 110.216 175.127 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -95.3 -10.73 29.37 Favored 'General case' 0 CA--C 1.53 0.202 0 N-CA-C 112.049 0.389 . . . . 0.0 112.049 177.934 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . -101.08 -13.56 33.4 Favored Glycine 0 CA--C 1.53 0.994 0 CA-C-O 119.208 -0.773 . . . . 0.0 113.814 -177.012 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 46.2 mm-40 -134.05 -19.07 2.02 Favored 'General case' 0 N--CA 1.463 0.185 0 CA-C-N 118.455 1.127 . . . . 0.0 112.545 -173.948 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 21.3 t70 -61.44 117.57 5.86 Favored 'General case' 0 C--O 1.233 0.193 0 O-C-N 121.193 -0.942 . . . . 0.0 110.336 178.628 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . 88.38 9.01 70.27 Favored Glycine 0 C--N 1.337 0.585 0 N-CA-C 111.11 -0.796 . . . . 0.0 111.11 179.283 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 73' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -75.36 169.75 17.44 Favored 'General case' 0 N--CA 1.45 -0.425 0 N-CA-C 106.457 -1.683 . . . . 0.0 106.457 172.229 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 74' ' ' MET . . . . . . . . . . . . . 31.4 ttm -114.94 121.97 44.83 Favored 'General case' 0 N--CA 1.448 -0.528 0 N-CA-C 109.388 -0.597 . . . . 0.0 109.388 -177.718 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 75' ' ' ILE . . . . . . . . . . . . . 0.2 OUTLIER -129.48 136.79 58.49 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.299 0 CA-C-N 115.982 -0.554 . . . . 0.0 109.934 179.956 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . 54.5 18.41 1.96 Allowed 'General case' 0 CA--C 1.53 0.192 0 C-N-CA 123.037 0.535 . . . . 0.0 112.081 -173.496 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 88.4 4.54 76.9 Favored Glycine 0 CA--C 1.525 0.658 0 CA-C-O 119.583 -0.565 . . . . 0.0 112.202 -178.858 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 78' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -125.46 135.07 51.94 Favored 'General case' 0 N--CA 1.451 -0.417 0 CA-C-N 117.923 0.862 . . . . 0.0 110.751 -179.712 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 79' ' ' VAL . . . . . . . . . . . . . 70.2 t -63.09 140.99 18.72 Favored 'Isoleucine or valine' 0 C--O 1.227 -0.117 0 C-N-CA 124.832 1.253 . . . . 0.0 111.099 -179.054 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 28.6 mt -96.54 157.33 15.95 Favored 'General case' 0 CA--C 1.527 0.094 0 CA-C-O 120.798 0.332 . . . . 0.0 111.437 175.762 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 81' ' ' ASP . . . . . . . . . . . . . 30.0 t70 -125.74 101.42 6.86 Favored 'General case' 0 N--CA 1.451 -0.388 0 N-CA-C 107.491 -1.3 . . . . 0.0 107.491 175.226 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 82' ' ' ILE . . . . . . . . . . . . . 63.3 mt -114.41 140.07 37.12 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.236 0 C-N-CA 123.238 0.615 . . . . 0.0 109.733 -169.906 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 83' ' ' ASN . . . . . . . . . . . . . 2.1 t30 -151.51 154.21 36.07 Favored 'General case' 0 N--CA 1.453 -0.278 0 C-N-CA 122.105 0.162 . . . . 0.0 111.037 -173.784 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 84' ' ' LEU . . . . . . . . . . . . . 1.4 tm? -60.32 129.85 43.7 Favored 'General case' 0 CA--C 1.531 0.241 0 N-CA-C 108.417 -0.957 . . . . 0.0 108.417 172.872 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.533 0.294 0 N-CA-C 114.328 1.233 . . . . 0.0 114.328 -171.845 . . . . . . . . 0 0 . 1 . 016 nuclear nobuild core ' A' A ' 98' ' ' LYS . . . . . . . . . . . . . 35.3 mmtp . . . . . 0 CA--C 1.529 0.153 0 N-CA-C 111.806 0.299 . . . . 0.0 111.806 . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild core ' A' A ' 99' ' ' ARG . . . . . . . . . . . . . 32.7 ptt180 -129.01 173.89 10.03 Favored 'General case' 0 N--CA 1.458 -0.068 0 C-N-CA 124.022 0.929 . . . . 0.0 111.44 -179.286 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 75.2 m -61.72 -16.23 47.45 Favored 'General case' 0 N--CA 1.454 -0.247 0 C-N-CA 123.784 0.834 . . . . 0.0 111.576 176.864 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 101' ' ' ALA . . . . . . . . . . . . . . . 54.17 14.37 0.73 Allowed 'General case' 0 CA--C 1.537 0.475 0 C-N-CA 124.904 1.281 . . . . 0.0 112.354 -176.632 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -142.29 12.05 1.96 Allowed 'General case' 0 N--CA 1.453 -0.307 0 C-N-CA 123.92 0.888 . . . . 0.0 110.357 -179.864 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 20.4 pt-20 -67.89 -8.09 33.69 Favored 'General case' 0 CA--C 1.529 0.157 0 C-N-CA 123.1 0.56 . . . . 0.0 112.025 -177.25 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 104' ' ' MET . . . . . . . . . . . . . 70.6 mtm -103.18 0.84 32.32 Favored 'General case' 0 N--CA 1.453 -0.289 0 C-N-CA 123.564 0.746 . . . . 0.0 111.417 -178.643 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 105' ' ' TYR . . . . . . . . . . . . . 37.2 m-85 -133.24 1.67 3.51 Favored 'General case' 0 C--O 1.233 0.185 0 C-N-CA 122.726 0.41 . . . . 0.0 111.942 -176.677 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 106' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.526 0.735 0 N-CA-C 111.343 -0.703 . . . . 0.0 111.343 179.931 . . . . . . . . 0 0 . 1 . 017 nuclear nobuild core ' A' A ' 4' ' ' ASN . . . . . . . . . . . . . 52.3 t30 . . . . . 0 CA--C 1.532 0.283 0 N-CA-C 112.648 0.61 . . . . 0.0 112.648 . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild core ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 87.5 t -136.57 135.35 49.05 Favored 'Isoleucine or valine' 0 C--N 1.338 0.091 0 N-CA-C 109.656 -0.498 . . . . 0.0 109.656 179.352 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 74.0 p -147.6 5.45 0.8 Allowed 'General case' 0 C--N 1.339 0.11 0 N-CA-C 112.274 0.472 . . . . 0.0 112.274 -177.847 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 7' ' ' ASN . . . . . . . . . . . . . 60.2 t-20 . . . . . 0 N--CA 1.454 -0.228 0 CA-C-N 119.012 0.824 . . . . 0.0 111.512 -176.185 . . . . . . . . 0 0 . 1 . 017 nuclear nobuild core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 78.3 p . . . . . 0 N--CA 1.454 -0.251 0 N-CA-C 111.305 0.113 . . . . 0.0 111.305 . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild core ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 29.9 ttp-105 -102.67 152.99 20.56 Favored 'General case' 0 N--CA 1.456 -0.131 0 C-N-CA 123.335 0.654 . . . . 0.0 109.915 177.797 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 65.5 t -126.95 131.24 71.15 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.387 0 C-N-CA 123.017 0.527 . . . . 0.0 109.809 178.354 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 30.2 t80 -90.59 134.14 34.6 Favored 'General case' 0 N--CA 1.45 -0.432 0 CA-C-N 115.495 -0.775 . . . . 0.0 109.27 174.862 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 65.1 mt -121.05 85.92 0.97 Allowed 'Isoleucine or valine' 0 N--CA 1.456 -0.166 0 N-CA-C 107.923 -1.139 . . . . 0.0 107.923 -179.767 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -84.46 173.27 49.58 Favored Glycine 0 CA--C 1.523 0.592 0 N-CA-C 111.194 -0.763 . . . . 0.0 111.194 178.387 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 57.3 t30 48.23 48.23 18.86 Favored 'General case' 0 N--CA 1.455 -0.214 0 C-N-CA 123.489 0.716 . . . . 0.0 110.728 -178.437 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 52.2 tp -97.19 144.31 27.14 Favored 'General case' 0 N--CA 1.456 -0.16 0 C-N-CA 123.006 0.522 . . . . 0.0 109.635 179.175 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 63.4 t30 -68.12 -39.11 82.83 Favored 'General case' 0 C--N 1.34 0.16 0 C-N-CA 120.966 -0.294 . . . . 0.0 111.266 -178.473 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 35.5 p 54.63 3.24 0.05 OUTLIER 'General case' 0 N--CA 1.465 0.302 0 C-N-CA 126.28 1.832 . . . . 0.0 115.103 178.655 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 8.1 mp -95.74 -15.63 22.48 Favored 'General case' 0 N--CA 1.454 -0.225 0 C-N-CA 123.311 0.644 . . . . 0.0 111.503 176.284 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 60.1 t -128.15 -22.82 1.56 Allowed 'Isoleucine or valine' 0 N--CA 1.461 0.118 0 C-N-CA 122.815 0.446 . . . . 0.0 110.77 178.94 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 71.0 t -102.54 136.13 36.38 Favored 'Isoleucine or valine' 0 CA--C 1.522 -0.115 0 N-CA-C 109.97 -0.382 . . . . 0.0 109.97 178.396 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 3.6 mppt? -129.82 172.49 11.61 Favored 'General case' 0 N--CA 1.456 -0.148 0 C-N-CA 124.085 0.954 . . . . 0.0 109.413 -179.189 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 11.0 ptmt -66.25 -4.8 8.5 Favored 'General case' 0 C--N 1.333 -0.148 0 C-N-CA 123.696 0.798 . . . . 0.0 112.197 179.664 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 34.2 m -97.89 -0.97 44.01 Favored 'General case' 0 CA--C 1.53 0.2 0 C-N-CA 123.596 0.758 . . . . 0.0 110.732 174.451 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 38.5 m-20 -115.17 -34.63 4.95 Favored 'General case' 0 N--CA 1.453 -0.277 0 C-N-CA 124.015 0.926 . . . . 0.0 110.421 -179.573 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 94.0 t -65.33 -30.48 50.36 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.227 0 N-CA-C 108.917 -0.771 . . . . 0.0 108.917 179.844 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 25.7 pt-20 -80.21 7.06 10.15 Favored 'General case' 0 CA--C 1.531 0.226 0 C-N-CA 122.638 0.375 . . . . 0.0 111.927 178.623 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -125.48 -8.13 6.9 Favored 'General case' 0 CA--C 1.531 0.22 0 C-N-CA 123.222 0.609 . . . . 0.0 110.886 176.664 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 70.5 mt -109.57 -27.83 2.82 Favored 'Isoleucine or valine' 0 C--N 1.34 0.18 0 C-N-CA 123.141 0.577 . . . . 0.0 110.832 178.43 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 37' ' ' PHE . . . . . . . . . . . . . 64.2 m-85 -103.79 -5.48 22.4 Favored 'General case' 0 N--CA 1.455 -0.195 0 C-N-CA 122.587 0.355 . . . . 0.0 111.063 179.747 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 70.0 p -75.47 -14.83 60.45 Favored 'General case' 0 N--CA 1.457 -0.105 0 C-N-CA 122.51 0.324 . . . . 0.0 111.638 -179.985 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 18.6 ptmt -82.35 -11.28 58.68 Favored 'General case' 0 N--CA 1.457 -0.109 0 C-N-CA 123.198 0.599 . . . . 0.0 112.313 179.252 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 40' ' ' TYR . . . . . . . . . . . . . 74.5 m-85 -106.46 -14.55 15.04 Favored 'General case' 0 C--N 1.34 0.172 0 C-N-CA 122.524 0.33 . . . . 0.0 111.292 178.172 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -176.08 162.77 31.88 Favored Glycine 0 CA--C 1.523 0.584 0 N-CA-C 112.43 -0.268 . . . . 0.0 112.43 174.702 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 78.1 tttt -74.76 114.15 12.86 Favored 'General case' 0 N--CA 1.451 -0.381 0 N-CA-C 109.013 -0.736 . . . . 0.0 109.013 177.998 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 43' ' ' ILE . . . . . . . . . . . . . 77.8 mt -82.89 129.59 37.17 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.211 0 N-CA-C 109.848 -0.427 . . . . 0.0 109.848 -177.861 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 33.8 m -114.8 3.9 7.79 Favored 'Isoleucine or valine' 0 C--O 1.231 0.084 0 C-N-CA 123.902 0.881 . . . . 0.0 110.702 179.5 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . -178.72 145.42 6.78 Favored Glycine 0 C--N 1.336 0.536 0 N-CA-C 109.818 -1.313 . . . . 0.0 109.818 177.048 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 46' ' ' CYS . . . . . . . . . . . . . 53.9 t -156.28 146.17 21.16 Favored 'General case' 0 N--CA 1.452 -0.356 0 N-CA-C 109.503 -0.555 . . . . 0.0 109.503 178.23 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 24.4 t -154.37 142.66 20.48 Favored 'General case' 0 N--CA 1.451 -0.424 0 N-CA-C 109.836 -0.431 . . . . 0.0 109.836 175.446 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 48' ' ' VAL . . . . . . . . . . . . . 97.3 t -114.7 146.71 18.82 Favored 'Isoleucine or valine' 0 N--CA 1.456 -0.13 0 N-CA-C 109.176 -0.676 . . . . 0.0 109.176 178.109 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 49' ' ' HIS . . . . . . . . . . . . . 47.4 m-70 -132.59 -169.07 2.17 Favored 'General case' 0 N--CA 1.451 -0.422 0 C-N-CA 124.383 1.073 . . . . 0.0 108.26 -177.23 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 60.4 tttm -87.31 116.84 25.68 Favored 'General case' 0 N--CA 1.452 -0.343 0 C-N-CA 120.72 -0.392 . . . . 0.0 109.976 178.808 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 81.58 -9.93 53.15 Favored Glycine 0 CA--C 1.532 1.143 0 CA-C-O 118.907 -0.94 . . . . 0.0 113.537 179.174 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 52.5 p90 -151.01 168.41 24.67 Favored 'General case' 0 CA--C 1.529 0.166 0 CA-C-N 118.906 1.353 . . . . 0.0 111.404 179.077 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -147.77 172.07 14.68 Favored 'General case' 0 N--CA 1.454 -0.227 0 C-N-CA 123.739 0.816 . . . . 0.0 110.341 176.317 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 54' ' ' PHE . . . . . . . . . . . . . 16.5 m-85 -139.31 146.42 40.3 Favored 'General case' 0 N--CA 1.456 -0.172 0 C-N-CA 123.299 0.639 . . . . 0.0 110.948 179.23 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 93.2 t -136.21 136.23 49.38 Favored 'Isoleucine or valine' 0 CA--C 1.516 -0.346 0 C-N-CA 123.608 0.763 . . . . 0.0 109.126 178.179 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 56' ' ' GLN . . . . . . . . . . . . . 63.9 tp60 -115.66 129.47 56.5 Favored 'General case' 0 N--CA 1.45 -0.456 0 N-CA-C 109.168 -0.678 . . . . 0.0 109.168 -177.339 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 57' ' ' TYR . . . . . . . . . . . . . 38.0 m-85 -111.49 176.03 5.19 Favored 'General case' 0 N--CA 1.455 -0.206 0 C-N-CA 123.334 0.654 . . . . 0.0 110.894 179.642 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 58' ' ' VAL . . . . . . . . . . . . . 72.1 t -71.82 -31.53 41.52 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.193 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.448 178.787 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 59' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -155.56 169.3 24.6 Favored 'General case' 0 C--N 1.339 0.142 0 N-CA-C 112.405 0.52 . . . . 0.0 112.405 178.911 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 75.9 tt0 -59.58 -31.08 69.12 Favored 'General case' 0 N--CA 1.457 -0.117 0 C-N-CA 123.393 0.677 . . . . 0.0 112.103 -177.795 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 19.3 tpp180 -59.32 -39.14 82.15 Favored 'General case' 0 C--O 1.231 0.082 0 CA-C-N 118.92 0.782 . . . . 0.0 110.11 -179.553 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 62' ' ' ASN . . . . . . . . . . . . . 18.6 m120 -70.74 -25.49 62.94 Favored 'General case' 0 N--CA 1.452 -0.349 0 O-C-N 122.254 -0.279 . . . . 0.0 111.04 -179.968 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -74.54 -37.17 63.09 Favored 'General case' 0 N--CA 1.452 -0.372 0 N-CA-C 110.285 -0.265 . . . . 0.0 110.285 178.27 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 64' ' ' ARG . . . . . . . . . . . . . 37.2 mmt180 -69.28 -26.49 64.77 Favored 'General case' 0 C--O 1.227 -0.082 0 N-CA-C 110.515 -0.18 . . . . 0.0 110.515 178.899 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -78.7 -33.0 47.17 Favored 'General case' 0 N--CA 1.454 -0.239 0 C-N-CA 121.481 -0.088 . . . . 0.0 111.119 -179.275 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -83.31 -34.29 25.73 Favored 'General case' 0 N--CA 1.452 -0.353 0 O-C-N 122.221 -0.299 . . . . 0.0 111.536 179.418 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 67' ' ' VAL . . . . . . . . . . . . . 54.4 t -65.75 -31.47 53.91 Favored 'Isoleucine or valine' 0 C--O 1.227 -0.1 0 N-CA-C 109.794 -0.447 . . . . 0.0 109.794 175.483 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -94.1 -10.26 33.91 Favored 'General case' 0 CA--C 1.529 0.169 0 N-CA-C 112.414 0.524 . . . . 0.0 112.414 177.635 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . -102.63 -12.87 31.59 Favored Glycine 0 CA--C 1.533 1.204 0 CA-C-O 119.292 -0.727 . . . . 0.0 113.969 -177.401 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 25.5 mm-40 -134.16 -19.52 1.96 Allowed 'General case' 0 CA--C 1.53 0.199 0 CA-C-N 118.514 1.157 . . . . 0.0 112.32 -174.561 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 20.5 t70 -61.41 117.23 5.41 Favored 'General case' 0 N--CA 1.455 -0.214 0 CA-C-N 119.209 0.913 . . . . 0.0 110.039 178.23 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . 88.02 10.18 69.54 Favored Glycine 0 C--N 1.338 0.683 0 N-CA-C 111.012 -0.835 . . . . 0.0 111.012 178.826 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 73' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -76.78 168.44 20.08 Favored 'General case' 0 N--CA 1.449 -0.51 0 N-CA-C 106.359 -1.719 . . . . 0.0 106.359 171.848 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 74' ' ' MET . . . . . . . . . . . . . 33.7 ttm -113.48 121.91 45.7 Favored 'General case' 0 N--CA 1.448 -0.556 0 N-CA-C 109.477 -0.564 . . . . 0.0 109.477 -176.784 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 75' ' ' ILE . . . . . . . . . . . . . 0.3 OUTLIER -129.03 135.88 61.01 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.39 0 CA-C-N 116.111 -0.495 . . . . 0.0 109.85 179.918 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . 54.57 17.53 1.68 Allowed 'General case' 0 CA--C 1.536 0.425 0 N-CA-C 112.158 0.429 . . . . 0.0 112.158 -174.136 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 88.86 5.01 74.61 Favored Glycine 0 CA--C 1.528 0.872 0 CA-C-O 119.684 -0.509 . . . . 0.0 112.193 -179.122 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 78' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -124.49 132.03 53.49 Favored 'General case' 0 N--CA 1.45 -0.448 0 CA-C-N 117.864 0.832 . . . . 0.0 110.206 -179.192 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 79' ' ' VAL . . . . . . . . . . . . . 47.4 t -64.0 141.3 18.35 Favored 'Isoleucine or valine' 0 C--O 1.228 -0.068 0 C-N-CA 124.199 1.0 . . . . 0.0 110.41 -178.726 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 32.4 mt -95.65 156.18 16.43 Favored 'General case' 0 C--O 1.233 0.202 0 CA-C-O 120.648 0.261 . . . . 0.0 111.593 176.867 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 81' ' ' ASP . . . . . . . . . . . . . 4.3 m-20 -124.37 96.97 5.11 Favored 'General case' 0 N--CA 1.455 -0.217 0 N-CA-C 107.608 -1.256 . . . . 0.0 107.608 176.833 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 82' ' ' ILE . . . . . . . . . . . . . 63.9 mt -112.07 141.79 26.46 Favored 'Isoleucine or valine' 0 C--O 1.231 0.12 0 C-N-CA 123.467 0.707 . . . . 0.0 110.106 -170.268 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 83' ' ' ASN . . . . . . . . . . . . . 54.3 t30 -154.46 158.11 39.43 Favored 'General case' 0 N--CA 1.455 -0.212 0 CA-C-N 116.562 -0.29 . . . . 0.0 111.167 -175.334 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 84' ' ' LEU . . . . . . . . . . . . . 1.2 tm? -60.67 128.43 36.54 Favored 'General case' 0 N--CA 1.449 -0.49 0 N-CA-C 107.972 -1.121 . . . . 0.0 107.972 172.871 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.532 0.277 0 N-CA-C 114.302 1.223 . . . . 0.0 114.302 -172.063 . . . . . . . . 0 0 . 1 . 017 nuclear nobuild core ' A' A ' 98' ' ' LYS . . . . . . . . . . . . . 4.2 mptp? . . . . . 0 CA--C 1.53 0.197 0 N-CA-C 111.423 0.157 . . . . 0.0 111.423 . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild core ' A' A ' 99' ' ' ARG . . . . . . . . . . . . . 63.2 mtt85 -120.75 170.35 9.53 Favored 'General case' 0 CA--C 1.52 -0.189 0 C-N-CA 123.946 0.898 . . . . 0.0 110.818 178.419 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 7.8 t -71.03 -11.78 61.16 Favored 'General case' 0 N--CA 1.453 -0.307 0 CA-C-N 115.968 -0.56 . . . . 0.0 111.497 -176.793 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 101' ' ' ALA . . . . . . . . . . . . . . . 55.02 9.31 0.3 Allowed 'General case' 0 CA--C 1.533 0.326 0 C-N-CA 124.458 1.103 . . . . 0.0 113.153 -175.064 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -148.32 8.19 0.81 Allowed 'General case' 0 CA--C 1.532 0.262 0 C-N-CA 123.469 0.708 . . . . 0.0 111.274 178.668 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 12.0 pt-20 -72.81 -5.53 38.67 Favored 'General case' 0 CA--C 1.528 0.134 0 C-N-CA 123.386 0.674 . . . . 0.0 112.369 -177.237 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 104' ' ' MET . . . . . . . . . . . . . 71.3 mtm -101.86 6.31 41.43 Favored 'General case' 0 N--CA 1.454 -0.254 0 C-N-CA 123.485 0.714 . . . . 0.0 111.118 178.84 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 105' ' ' TYR . . . . . . . . . . . . . 50.0 m-85 -133.87 4.8 3.58 Favored 'General case' 0 CA--C 1.532 0.265 0 C-N-CA 123.019 0.527 . . . . 0.0 111.381 -178.019 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 106' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.528 0.844 0 N-CA-C 111.01 -0.836 . . . . 0.0 111.01 179.833 . . . . . . . . 0 0 . 1 . 018 nuclear nobuild core ' A' A ' 4' ' ' ASN . . . . . . . . . . . . . 55.7 t30 . . . . . 0 CA--C 1.533 0.318 0 CA-C-O 120.598 0.237 . . . . 0.0 110.987 . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild core ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 86.8 t -92.36 132.83 35.62 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.194 0 C-N-CA 122.855 0.462 . . . . 0.0 111.393 -175.322 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 56.7 p -146.53 5.54 0.93 Allowed 'General case' 0 C--O 1.227 -0.127 0 C-N-CA 123.62 0.768 . . . . 0.0 111.584 179.169 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 7' ' ' ASN . . . . . . . . . . . . . 64.8 t-20 . . . . . 0 N--CA 1.455 -0.182 0 CA-C-N 119.214 0.916 . . . . 0.0 110.927 -178.228 . . . . . . . . 0 0 . 1 . 018 nuclear nobuild core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 14.6 m . . . . . 0 N--CA 1.455 -0.183 0 N-CA-C 111.654 0.242 . . . . 0.0 111.654 . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild core ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 27.7 ttp-105 -105.18 152.61 22.62 Favored 'General case' 0 C--N 1.338 0.093 0 C-N-CA 123.607 0.763 . . . . 0.0 110.375 -179.445 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 60.0 t -128.89 132.51 67.4 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.344 0 C-N-CA 123.214 0.606 . . . . 0.0 109.99 177.532 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 64.7 t80 -92.76 138.38 31.54 Favored 'General case' 0 N--CA 1.45 -0.458 0 C-N-CA 123.73 0.812 . . . . 0.0 109.61 174.114 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 57.8 mt -123.77 83.4 0.82 Allowed 'Isoleucine or valine' 0 N--CA 1.454 -0.228 0 N-CA-C 107.824 -1.176 . . . . 0.0 107.824 179.023 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -85.61 176.59 49.68 Favored Glycine 0 CA--C 1.524 0.615 0 N-CA-C 110.074 -1.211 . . . . 0.0 110.074 177.481 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 54.0 t30 48.81 46.45 21.8 Favored 'General case' 0 N--CA 1.45 -0.472 0 C-N-CA 123.282 0.633 . . . . 0.0 110.341 -176.678 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 57.2 tp -100.33 145.58 27.98 Favored 'General case' 0 N--CA 1.456 -0.155 0 C-N-CA 123.468 0.707 . . . . 0.0 109.554 -179.977 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 65.0 t30 -71.45 -38.65 71.29 Favored 'General case' 0 CA--C 1.53 0.196 0 O-C-N 122.326 -0.234 . . . . 0.0 111.199 -177.294 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 46.9 p 53.99 -1.74 0.02 OUTLIER 'General case' 0 N--CA 1.467 0.402 0 C-N-CA 127.195 2.198 . . . . 0.0 115.339 178.725 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 87.2 mt -87.27 -20.86 26.25 Favored 'General case' 0 N--CA 1.451 -0.394 0 C-N-CA 123.368 0.667 . . . . 0.0 111.743 175.064 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 60.6 t -121.66 -25.57 2.33 Favored 'Isoleucine or valine' 0 CA--C 1.528 0.117 0 CA-C-O 119.475 -0.297 . . . . 0.0 111.44 -179.158 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 49.6 t -101.64 145.6 11.33 Favored 'Isoleucine or valine' 0 N--CA 1.457 -0.077 0 CA-C-N 118.363 0.528 . . . . 0.0 110.246 178.979 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 8.2 mptt -134.88 173.14 12.03 Favored 'General case' 0 N--CA 1.46 0.031 0 C-N-CA 123.302 0.641 . . . . 0.0 110.154 -178.4 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 10.8 ptmt -68.1 -5.27 16.85 Favored 'General case' 0 CA--C 1.528 0.122 0 C-N-CA 123.443 0.697 . . . . 0.0 112.079 178.857 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 37.2 m -97.83 0.63 47.1 Favored 'General case' 0 C--N 1.332 -0.169 0 C-N-CA 123.734 0.814 . . . . 0.0 110.549 174.036 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 19.8 m-20 -117.93 -33.66 4.4 Favored 'General case' 0 N--CA 1.453 -0.323 0 C-N-CA 123.754 0.821 . . . . 0.0 110.486 179.983 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 85.9 t -64.69 -31.21 52.77 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.192 0 N-CA-C 108.938 -0.764 . . . . 0.0 108.938 178.695 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 25.9 pt-20 -79.65 7.83 7.68 Favored 'General case' 0 CA--C 1.532 0.266 0 N-CA-C 111.913 0.338 . . . . 0.0 111.913 178.381 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -126.09 -8.21 6.54 Favored 'General case' 0 N--CA 1.451 -0.382 0 C-N-CA 123.252 0.621 . . . . 0.0 110.715 176.736 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 77.9 mt -109.98 -27.68 2.83 Favored 'Isoleucine or valine' 0 CA--C 1.529 0.14 0 C-N-CA 123.311 0.644 . . . . 0.0 110.622 179.052 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 37' ' ' PHE . . . . . . . . . . . . . 60.8 m-85 -103.87 -5.79 22.0 Favored 'General case' 0 N--CA 1.454 -0.243 0 C-N-CA 122.808 0.443 . . . . 0.0 111.132 179.501 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 69.9 p -75.98 -13.73 60.24 Favored 'General case' 0 C--O 1.232 0.173 0 C-N-CA 122.457 0.303 . . . . 0.0 111.51 -179.976 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 13.1 ptmm? -83.64 -9.91 58.57 Favored 'General case' 0 CA--C 1.53 0.177 0 C-N-CA 123.124 0.569 . . . . 0.0 112.182 179.35 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 40' ' ' TYR . . . . . . . . . . . . . 84.0 m-85 -106.25 -14.89 14.99 Favored 'General case' 0 C--N 1.338 0.094 0 C-N-CA 122.718 0.407 . . . . 0.0 111.177 177.207 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -176.82 162.73 31.27 Favored Glycine 0 CA--C 1.524 0.595 0 N-CA-C 111.852 -0.499 . . . . 0.0 111.852 174.451 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 78.4 tttt -74.07 113.84 11.71 Favored 'General case' 0 N--CA 1.454 -0.231 0 N-CA-C 108.875 -0.787 . . . . 0.0 108.875 177.859 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 43' ' ' ILE . . . . . . . . . . . . . 73.1 mt -82.98 130.16 36.2 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.236 0 N-CA-C 109.87 -0.419 . . . . 0.0 109.87 -178.378 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 33.5 m -109.07 -5.28 10.86 Favored 'Isoleucine or valine' 0 N--CA 1.457 -0.082 0 C-N-CA 123.443 0.697 . . . . 0.0 110.907 179.302 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . -173.9 146.51 8.79 Favored Glycine 0 C--N 1.336 0.538 0 N-CA-C 109.884 -1.287 . . . . 0.0 109.884 177.097 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 46' ' ' CYS . . . . . . . . . . . . . 53.9 t -152.98 145.26 23.96 Favored 'General case' 0 N--CA 1.452 -0.369 0 C-N-CA 122.638 0.375 . . . . 0.0 110.086 179.404 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 27.1 t -151.41 142.6 23.24 Favored 'General case' 0 N--CA 1.45 -0.45 0 N-CA-C 109.867 -0.42 . . . . 0.0 109.867 176.676 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 48' ' ' VAL . . . . . . . . . . . . . 99.3 t -118.93 146.25 23.82 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.34 0 N-CA-C 108.881 -0.785 . . . . 0.0 108.881 177.92 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 49' ' ' HIS . . . . . . . . . . . . . 45.7 m-70 -132.13 -167.55 1.9 Allowed 'General case' 0 N--CA 1.452 -0.342 0 N-CA-C 107.901 -1.148 . . . . 0.0 107.901 -176.789 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 30.8 mmmt -85.47 117.63 24.5 Favored 'General case' 0 N--CA 1.455 -0.197 0 C-N-CA 120.326 -0.55 . . . . 0.0 109.674 177.257 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 79.51 -11.19 33.23 Favored Glycine 0 CA--C 1.532 1.13 0 C-N-CA 123.769 0.7 . . . . 0.0 113.898 177.769 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 49.8 p90 -146.66 165.56 29.21 Favored 'General case' 0 CA--C 1.529 0.158 0 CA-C-N 118.802 1.301 . . . . 0.0 111.584 178.83 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -147.71 171.04 16.27 Favored 'General case' 0 CA--C 1.53 0.184 0 C-N-CA 123.416 0.686 . . . . 0.0 110.8 177.374 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 54' ' ' PHE . . . . . . . . . . . . . 13.8 m-85 -139.14 147.93 42.55 Favored 'General case' 0 N--CA 1.454 -0.256 0 C-N-CA 123.987 0.915 . . . . 0.0 110.848 -179.647 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 97.7 t -137.99 138.09 44.05 Favored 'Isoleucine or valine' 0 CA--C 1.52 -0.188 0 C-N-CA 123.748 0.819 . . . . 0.0 109.11 177.819 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 56' ' ' GLN . . . . . . . . . . . . . 69.4 tp60 -117.88 132.3 56.44 Favored 'General case' 0 N--CA 1.452 -0.352 0 N-CA-C 109.096 -0.705 . . . . 0.0 109.096 -178.792 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 57' ' ' TYR . . . . . . . . . . . . . 42.8 m-85 -113.54 173.94 6.17 Favored 'General case' 0 N--CA 1.454 -0.242 0 C-N-CA 123.318 0.647 . . . . 0.0 111.129 -179.405 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 58' ' ' VAL . . . . . . . . . . . . . 74.2 t -70.28 -30.86 44.99 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.24 0 C-N-CA 123.02 0.528 . . . . 0.0 110.489 178.337 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 59' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -156.27 166.3 33.84 Favored 'General case' 0 N--CA 1.455 -0.189 0 CA-C-N 118.088 0.403 . . . . 0.0 112.019 177.024 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 83.5 tt0 -55.47 -32.09 62.52 Favored 'General case' 0 CA--C 1.529 0.171 0 C-N-CA 123.711 0.805 . . . . 0.0 112.575 -179.713 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 20.3 tpp85 -59.54 -38.19 80.4 Favored 'General case' 0 C--O 1.231 0.085 0 CA-C-N 119.008 0.822 . . . . 0.0 110.305 -179.108 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 62' ' ' ASN . . . . . . . . . . . . . 18.8 m120 -72.05 -25.0 61.62 Favored 'General case' 0 N--CA 1.451 -0.399 0 O-C-N 122.13 -0.356 . . . . 0.0 111.012 179.767 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -75.15 -37.26 61.39 Favored 'General case' 0 N--CA 1.453 -0.287 0 N-CA-C 110.069 -0.345 . . . . 0.0 110.069 178.136 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 64' ' ' ARG . . . . . . . . . . . . . 40.4 mmt180 -69.26 -26.33 64.71 Favored 'General case' 0 N--CA 1.457 -0.093 0 N-CA-C 110.157 -0.312 . . . . 0.0 110.157 178.758 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -78.15 -32.84 50.5 Favored 'General case' 0 N--CA 1.454 -0.248 0 CA-C-O 119.992 -0.051 . . . . 0.0 110.904 -179.431 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -83.03 -35.27 25.91 Favored 'General case' 0 N--CA 1.451 -0.418 0 O-C-N 122.197 -0.315 . . . . 0.0 111.489 179.114 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 67' ' ' VAL . . . . . . . . . . . . . 51.7 t -64.72 -30.49 50.43 Favored 'Isoleucine or valine' 0 C--O 1.227 -0.102 0 O-C-N 122.013 -0.429 . . . . 0.0 109.979 175.375 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -96.07 -9.49 30.74 Favored 'General case' 0 CA--C 1.531 0.213 0 N-CA-C 112.4 0.519 . . . . 0.0 112.4 178.027 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . -103.0 -13.74 28.44 Favored Glycine 0 CA--C 1.532 1.098 0 CA-C-O 119.308 -0.718 . . . . 0.0 113.744 -177.538 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 26.4 mm-40 -133.12 -18.85 2.27 Favored 'General case' 0 N--CA 1.465 0.286 0 CA-C-N 118.368 1.084 . . . . 0.0 112.318 -174.441 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 23.7 t70 -62.14 118.25 7.11 Favored 'General case' 0 N--CA 1.453 -0.275 0 CA-C-N 118.964 0.802 . . . . 0.0 109.653 178.485 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . 87.53 10.08 71.1 Favored Glycine 0 C--N 1.338 0.67 0 N-CA-C 111.101 -0.8 . . . . 0.0 111.101 179.235 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 73' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -76.93 168.34 20.26 Favored 'General case' 0 N--CA 1.45 -0.473 0 N-CA-C 106.328 -1.73 . . . . 0.0 106.328 171.628 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 74' ' ' MET . . . . . . . . . . . . . 35.9 ttm -114.18 121.87 45.08 Favored 'General case' 0 N--CA 1.45 -0.448 0 N-CA-C 109.263 -0.643 . . . . 0.0 109.263 -175.95 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 75' ' ' ILE . . . . . . . . . . . . . 0.2 OUTLIER -129.87 136.14 59.61 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.388 0 N-CA-C 109.539 -0.541 . . . . 0.0 109.539 179.624 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . 54.3 17.9 1.67 Allowed 'General case' 0 CA--C 1.533 0.319 0 C-N-CA 123.449 0.699 . . . . 0.0 111.91 -174.134 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 89.18 4.0 75.05 Favored Glycine 0 CA--C 1.526 0.765 0 C-N-CA 123.216 0.436 . . . . 0.0 112.066 -179.562 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 78' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -123.26 130.86 53.32 Favored 'General case' 0 N--CA 1.451 -0.392 0 CA-C-N 117.699 0.75 . . . . 0.0 109.905 -179.087 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 79' ' ' VAL . . . . . . . . . . . . . 48.1 t -63.6 139.87 20.59 Favored 'Isoleucine or valine' 0 CA--C 1.522 -0.102 0 C-N-CA 124.15 0.98 . . . . 0.0 110.278 -179.336 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 31.2 mt -94.22 155.72 16.9 Favored 'General case' 0 C--O 1.231 0.095 0 CA-C-O 120.846 0.355 . . . . 0.0 111.356 177.567 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 81' ' ' ASP . . . . . . . . . . . . . 27.9 m-20 -124.38 101.51 7.2 Favored 'General case' 0 N--CA 1.453 -0.314 0 N-CA-C 107.632 -1.247 . . . . 0.0 107.632 174.881 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 82' ' ' ILE . . . . . . . . . . . . . 61.4 mt -114.16 138.48 43.95 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.344 0 CA-C-N 115.537 -0.756 . . . . 0.0 109.454 -170.195 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 83' ' ' ASN . . . . . . . . . . . . . 8.1 t30 -155.53 158.61 38.75 Favored 'General case' 0 N--CA 1.454 -0.238 0 N-CA-C 109.427 -0.583 . . . . 0.0 109.427 -174.754 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 84' ' ' LEU . . . . . . . . . . . . . 7.1 tp -60.6 142.58 55.35 Favored 'General case' 0 N--CA 1.451 -0.408 0 N-CA-C 109.4 -0.592 . . . . 0.0 109.4 174.688 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.533 0.314 0 N-CA-C 113.732 1.012 . . . . 0.0 113.732 -175.861 . . . . . . . . 0 0 . 1 . 018 nuclear nobuild core ' A' A ' 98' ' ' LYS . . . . . 0.538 ' HA ' ' HE2' ' A' ' 98' ' ' LYS . 10.7 mmpt? . . . . . 0 CA--C 1.53 0.21 0 N-CA-C 112.481 0.549 . . . . 0.0 112.481 . . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 99' ' ' ARG . . . . . . . . . . . . . 10.9 tpt180 -147.38 171.08 16.03 Favored 'General case' 0 N--CA 1.456 -0.149 0 C-N-CA 123.486 0.714 . . . . 0.0 109.471 -177.954 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 73.8 m -63.01 -16.41 59.71 Favored 'General case' 0 CA--C 1.527 0.094 0 C-N-CA 123.17 0.588 . . . . 0.0 112.07 179.112 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 101' ' ' ALA . . . . . . . . . . . . . . . 51.8 16.67 0.52 Allowed 'General case' 0 CA--C 1.535 0.394 0 C-N-CA 123.91 0.884 . . . . 0.0 112.694 -176.493 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -148.68 8.33 0.77 Allowed 'General case' 0 N--CA 1.455 -0.198 0 C-N-CA 123.13 0.572 . . . . 0.0 111.609 -177.889 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 16.7 pt-20 -74.6 -2.91 28.11 Favored 'General case' 0 CA--C 1.531 0.24 0 N-CA-C 112.643 0.608 . . . . 0.0 112.643 -176.098 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 104' ' ' MET . . . . . . . . . . . . . 25.3 ptp -126.79 8.88 6.91 Favored 'General case' 0 CA--C 1.532 0.272 0 C-N-CA 123.145 0.578 . . . . 0.0 112.431 -176.894 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 105' ' ' TYR . . . . . . . . . . . . . 38.7 m-85 -124.26 -9.34 7.56 Favored 'General case' 0 CA--C 1.527 0.093 0 C-N-CA 122.64 0.376 . . . . 0.0 111.466 179.494 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 106' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.526 0.761 0 N-CA-C 111.468 -0.653 . . . . 0.0 111.468 179.337 . . . . . . . . 0 0 . 1 . 019 nuclear nobuild core ' A' A ' 4' ' ' ASN . . . . . . . . . . . . . 3.8 p-10 . . . . . 0 CA--C 1.531 0.239 0 N-CA-C 111.419 0.155 . . . . 0.0 111.419 . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild core ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 99.6 t -97.55 135.91 30.25 Favored 'Isoleucine or valine' 0 C--O 1.232 0.149 0 C-N-CA 122.731 0.412 . . . . 0.0 111.25 -176.38 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 76.5 p -147.2 5.09 0.83 Allowed 'General case' 0 CA--C 1.53 0.21 0 C-N-CA 123.671 0.788 . . . . 0.0 111.47 179.191 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 7' ' ' ASN . . . . . . . . . . . . . 61.5 t-20 . . . . . 0 N--CA 1.454 -0.26 0 O-C-N 121.324 -0.86 . . . . 0.0 111.025 -177.391 . . . . . . . . 0 0 . 1 . 019 nuclear nobuild core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 77.8 p . . . . . 0 CA--C 1.53 0.196 0 N-CA-C 111.344 0.128 . . . . 0.0 111.344 . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild core ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 30.9 ttp-105 -103.22 153.29 20.52 Favored 'General case' 0 N--CA 1.456 -0.135 0 C-N-CA 123.695 0.798 . . . . 0.0 109.971 177.945 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 83.3 t -129.3 131.27 67.67 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.442 0 C-N-CA 123.075 0.55 . . . . 0.0 110.017 178.509 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 53.7 t80 -89.37 138.36 31.51 Favored 'General case' 0 N--CA 1.45 -0.46 0 C-N-CA 123.523 0.729 . . . . 0.0 109.503 174.205 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 64.4 mt -124.16 85.86 0.99 Allowed 'Isoleucine or valine' 0 N--CA 1.454 -0.228 0 N-CA-C 107.745 -1.206 . . . . 0.0 107.745 179.534 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -85.69 173.26 47.25 Favored Glycine 0 CA--C 1.523 0.543 0 N-CA-C 110.278 -1.129 . . . . 0.0 110.278 177.672 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 47.9 t30 50.01 49.06 21.02 Favored 'General case' 0 N--CA 1.453 -0.321 0 C-N-CA 123.048 0.539 . . . . 0.0 110.369 -178.415 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 57.6 tp -101.57 144.95 29.68 Favored 'General case' 0 N--CA 1.453 -0.315 0 N-CA-C 109.279 -0.637 . . . . 0.0 109.279 178.733 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 63.5 t30 -70.15 -36.75 74.96 Favored 'General case' 0 N--CA 1.455 -0.187 0 O-C-N 122.191 -0.318 . . . . 0.0 111.463 -177.532 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 47.4 p 51.21 9.47 0.06 Allowed 'General case' 0 N--CA 1.464 0.261 0 C-N-CA 126.205 1.802 . . . . 0.0 115.229 179.003 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 3.4 mm? -104.16 -14.18 15.95 Favored 'General case' 0 N--CA 1.456 -0.162 0 C-N-CA 123.555 0.742 . . . . 0.0 110.963 176.18 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 60.0 t -127.78 -20.31 2.0 Favored 'Isoleucine or valine' 0 CA--C 1.53 0.187 0 C-N-CA 123.148 0.579 . . . . 0.0 110.421 178.799 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 57.3 t -106.86 143.54 17.41 Favored 'Isoleucine or valine' 0 C--N 1.34 0.182 0 N-CA-C 109.896 -0.409 . . . . 0.0 109.896 177.686 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -136.23 173.32 11.84 Favored 'General case' 0 N--CA 1.456 -0.155 0 C-N-CA 123.904 0.882 . . . . 0.0 109.78 -178.561 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 12.4 ptmt -65.11 -7.85 14.08 Favored 'General case' 0 CA--C 1.53 0.195 0 C-N-CA 123.723 0.809 . . . . 0.0 112.068 179.04 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 38.9 m -97.66 -0.67 45.18 Favored 'General case' 0 CA--C 1.529 0.157 0 C-N-CA 123.291 0.636 . . . . 0.0 110.972 175.927 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 25.5 m-20 -115.44 -34.9 4.77 Favored 'General case' 0 N--CA 1.452 -0.358 0 C-N-CA 124.222 1.009 . . . . 0.0 110.205 179.265 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 81.9 t -62.69 -32.06 54.28 Favored 'Isoleucine or valine' 0 N--CA 1.456 -0.155 0 N-CA-C 109.589 -0.522 . . . . 0.0 109.589 177.648 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 25.3 pt-20 -80.53 7.56 9.67 Favored 'General case' 0 CA--C 1.532 0.259 0 O-C-N 122.247 -0.283 . . . . 0.0 111.656 178.679 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -126.05 -7.03 6.59 Favored 'General case' 0 N--CA 1.455 -0.193 0 C-N-CA 123.176 0.59 . . . . 0.0 111.195 177.398 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 70.2 mt -110.91 -28.83 2.52 Favored 'Isoleucine or valine' 0 C--N 1.339 0.133 0 C-N-CA 122.929 0.491 . . . . 0.0 110.777 178.486 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 37' ' ' PHE . . . . . . . . . . . . . 67.4 m-85 -101.3 -8.72 21.85 Favored 'General case' 0 N--CA 1.453 -0.283 0 C-N-CA 122.738 0.415 . . . . 0.0 110.943 179.934 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 69.1 p -72.59 -14.22 61.57 Favored 'General case' 0 CA--C 1.527 0.062 0 C-N-CA 122.607 0.363 . . . . 0.0 111.674 -178.965 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 18.3 ptmt -83.74 -10.8 57.87 Favored 'General case' 0 CA--C 1.53 0.207 0 C-N-CA 123.041 0.536 . . . . 0.0 112.186 179.123 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 40' ' ' TYR . . . . . . . . . . . . . 76.6 m-85 -106.05 -15.24 14.94 Favored 'General case' 0 N--CA 1.461 0.102 0 C-N-CA 122.263 0.225 . . . . 0.0 111.195 177.781 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -175.78 161.29 29.96 Favored Glycine 0 C--N 1.336 0.579 0 N-CA-C 111.971 -0.452 . . . . 0.0 111.971 174.586 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 78.2 tttt -73.01 114.21 10.91 Favored 'General case' 0 N--CA 1.452 -0.339 0 N-CA-C 108.651 -0.87 . . . . 0.0 108.651 177.584 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 43' ' ' ILE . . . . . . . . . . . . . 78.4 mt -83.39 128.65 38.57 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.339 0 N-CA-C 109.88 -0.415 . . . . 0.0 109.88 -178.461 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 34.2 m -109.06 -9.11 11.29 Favored 'Isoleucine or valine' 0 C--N 1.335 -0.06 0 C-N-CA 123.244 0.618 . . . . 0.0 110.879 179.138 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . -167.95 148.71 13.11 Favored Glycine 0 C--N 1.338 0.639 0 N-CA-C 109.844 -1.302 . . . . 0.0 109.844 178.098 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 46' ' ' CYS . . . . . . . . . . . . . 20.8 p -151.45 152.75 33.46 Favored 'General case' 0 N--CA 1.45 -0.43 0 N-CA-C 109.859 -0.422 . . . . 0.0 109.859 179.165 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 31.9 t -158.46 135.36 9.75 Favored 'General case' 0 N--CA 1.452 -0.356 0 N-CA-C 109.778 -0.452 . . . . 0.0 109.778 176.188 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 48' ' ' VAL . . . . . . . . . . . . . 99.7 t -111.7 149.56 14.33 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.24 0 N-CA-C 109.218 -0.66 . . . . 0.0 109.218 176.418 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 49' ' ' HIS . . . . . . . . . . . . . 51.0 m-70 -135.17 -168.36 2.17 Favored 'General case' 0 N--CA 1.45 -0.452 0 N-CA-C 107.87 -1.159 . . . . 0.0 107.87 -178.72 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 75.4 mmtt -85.67 118.66 25.31 Favored 'General case' 0 N--CA 1.456 -0.153 0 N-CA-C 109.555 -0.535 . . . . 0.0 109.555 176.448 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 78.73 -13.37 18.23 Favored Glycine 0 CA--C 1.53 1.013 0 C-N-CA 123.584 0.612 . . . . 0.0 114.121 178.843 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 50.1 p90 -144.76 165.45 28.05 Favored 'General case' 0 CA--C 1.529 0.14 0 CA-C-N 118.881 1.34 . . . . 0.0 111.784 179.04 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -147.52 171.97 14.71 Favored 'General case' 0 CA--C 1.533 0.291 0 C-N-CA 123.577 0.751 . . . . 0.0 110.77 177.101 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 54' ' ' PHE . . . . . . . . . . . . . 13.7 m-85 -140.45 145.85 37.51 Favored 'General case' 0 N--CA 1.453 -0.305 0 C-N-CA 124.204 1.001 . . . . 0.0 110.739 -179.313 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 97.2 t -137.05 137.2 47.01 Favored 'Isoleucine or valine' 0 CA--C 1.518 -0.263 0 C-N-CA 123.744 0.818 . . . . 0.0 109.223 178.48 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 56' ' ' GLN . . . . . . . . . . . . . 62.0 tp60 -116.93 130.64 56.83 Favored 'General case' 0 N--CA 1.45 -0.463 0 N-CA-C 109.387 -0.598 . . . . 0.0 109.387 -177.185 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 57' ' ' TYR . . . . . . . . . . . . . 43.4 m-85 -111.7 176.62 4.95 Favored 'General case' 0 N--CA 1.454 -0.25 0 C-N-CA 123.596 0.758 . . . . 0.0 110.571 179.742 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 58' ' ' VAL . . . . . . . . . . . . . 77.7 t -72.28 -31.21 38.15 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.286 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.588 178.323 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 59' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -156.29 168.86 26.02 Favored 'General case' 0 C--N 1.341 0.206 0 N-CA-C 112.108 0.41 . . . . 0.0 112.108 178.986 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 76.4 tt0 -58.91 -31.03 68.27 Favored 'General case' 0 N--CA 1.457 -0.089 0 C-N-CA 123.415 0.686 . . . . 0.0 112.265 -178.403 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 19.3 tpp180 -59.38 -38.15 79.76 Favored 'General case' 0 CA--C 1.529 0.156 0 CA-C-N 118.913 0.779 . . . . 0.0 110.021 -179.612 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 62' ' ' ASN . . . . . . . . . . . . . 19.8 m120 -71.66 -24.96 61.93 Favored 'General case' 0 N--CA 1.451 -0.408 0 C-N-CA 120.925 -0.31 . . . . 0.0 111.2 179.215 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -75.71 -37.55 59.37 Favored 'General case' 0 N--CA 1.453 -0.315 0 O-C-N 122.18 -0.325 . . . . 0.0 110.286 178.412 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 64' ' ' ARG . . . . . . . . . . . . . 40.1 mmt180 -68.22 -27.43 66.37 Favored 'General case' 0 CA--C 1.523 -0.068 0 N-CA-C 109.959 -0.385 . . . . 0.0 109.959 178.67 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -77.46 -34.02 54.55 Favored 'General case' 0 N--CA 1.455 -0.223 0 CA-C-N 117.553 0.16 . . . . 0.0 110.674 -179.174 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -82.87 -35.47 26.21 Favored 'General case' 0 N--CA 1.454 -0.255 0 O-C-N 122.106 -0.371 . . . . 0.0 111.597 179.705 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 67' ' ' VAL . . . . . . . . . . . . . 53.7 t -65.11 -30.39 50.19 Favored 'Isoleucine or valine' 0 C--N 1.334 -0.09 0 O-C-N 122.134 -0.354 . . . . 0.0 110.09 176.226 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -96.07 -9.73 30.14 Favored 'General case' 0 CA--C 1.531 0.234 0 N-CA-C 112.145 0.424 . . . . 0.0 112.145 177.521 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . -102.51 -12.8 32.07 Favored Glycine 0 CA--C 1.528 0.868 0 CA-C-O 119.288 -0.729 . . . . 0.0 113.649 -177.307 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 70' ' ' GLU . . . . . 0.407 ' CD ' ' HE ' ' A' ' 73' ' ' ARG . 24.0 mm-40 -133.99 -19.21 2.02 Favored 'General case' 0 N--CA 1.462 0.161 0 CA-C-N 118.655 1.227 . . . . 0.0 112.248 -174.984 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 22.2 t70 -61.4 117.18 5.34 Favored 'General case' 0 N--CA 1.455 -0.185 0 CA-C-N 119.099 0.863 . . . . 0.0 109.993 178.419 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . 87.99 10.07 69.83 Favored Glycine 0 C--N 1.337 0.585 0 N-CA-C 110.996 -0.842 . . . . 0.0 110.996 178.938 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 73' ' ' ARG . . . . . 0.407 ' HE ' ' CD ' ' A' ' 70' ' ' GLU . 0.1 OUTLIER -76.47 168.59 19.8 Favored 'General case' 0 N--CA 1.451 -0.409 0 N-CA-C 106.346 -1.724 . . . . 0.0 106.346 171.419 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 74' ' ' MET . . . . . . . . . . . . . 34.3 ttm -113.96 121.49 44.08 Favored 'General case' 0 N--CA 1.45 -0.454 0 N-CA-C 109.069 -0.715 . . . . 0.0 109.069 -176.588 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 75' ' ' ILE . . . . . . . . . . . . . 0.2 OUTLIER -129.13 136.09 60.43 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.314 0 CA-C-N 116.043 -0.526 . . . . 0.0 109.717 179.526 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . 54.48 17.71 1.71 Allowed 'General case' 0 N--CA 1.453 -0.277 0 C-N-CA 123.375 0.67 . . . . 0.0 112.06 -173.973 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 89.13 4.57 74.36 Favored Glycine 0 CA--C 1.528 0.899 0 CA-C-O 119.577 -0.568 . . . . 0.0 111.949 -179.36 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 78' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -124.39 130.92 53.35 Favored 'General case' 0 N--CA 1.451 -0.396 0 CA-C-N 117.746 0.773 . . . . 0.0 110.372 -179.205 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 79' ' ' VAL . . . . . . . . . . . . . 45.8 t -63.29 140.21 20.02 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.186 0 C-N-CA 124.252 1.021 . . . . 0.0 110.484 -178.938 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 30.2 mt -94.54 155.43 16.92 Favored 'General case' 0 N--CA 1.456 -0.146 0 CA-C-O 120.661 0.267 . . . . 0.0 111.33 177.219 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 81' ' ' ASP . . . . . . . . . . . . . 38.3 m-20 -124.1 98.07 5.62 Favored 'General case' 0 N--CA 1.452 -0.368 0 N-CA-C 107.685 -1.228 . . . . 0.0 107.685 176.306 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 82' ' ' ILE . . . . . . . . . . . . . 63.2 mt -111.6 138.97 38.06 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.178 0 C-N-CA 123.509 0.724 . . . . 0.0 109.835 -170.248 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 83' ' ' ASN . . . . . . . . . . . . . 9.2 t30 -153.42 157.29 39.71 Favored 'General case' 0 N--CA 1.456 -0.166 0 N-CA-C 109.567 -0.531 . . . . 0.0 109.567 -175.034 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 84' ' ' LEU . . . . . . . . . . . . . 7.7 tp -61.21 138.79 58.22 Favored 'General case' 0 N--CA 1.451 -0.41 0 N-CA-C 109.393 -0.595 . . . . 0.0 109.393 174.981 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.532 0.26 0 N-CA-C 113.516 0.932 . . . . 0.0 113.516 -176.086 . . . . . . . . 0 0 . 1 . 019 nuclear nobuild core ' A' A ' 98' ' ' LYS . . . . . . . . . . . . . 90.7 mttt . . . . . 0 N--CA 1.46 0.059 0 CA-C-O 120.856 0.36 . . . . 0.0 110.781 . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild core ' A' A ' 99' ' ' ARG . . . . . 0.496 ' HG3' ' H ' ' A' ' 100' ' ' SER . 2.2 tpm_? -103.49 178.27 4.6 Favored 'General case' 0 N--CA 1.455 -0.225 0 C-N-CA 124.903 1.281 . . . . 0.0 109.564 -179.63 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 100' ' ' SER . . . . . 0.496 ' H ' ' HG3' ' A' ' 99' ' ' ARG . 74.8 m -59.61 -19.61 50.21 Favored 'General case' 0 N--CA 1.455 -0.2 0 C-N-CA 123.401 0.68 . . . . 0.0 111.875 177.637 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 101' ' ' ALA . . . . . . . . . . . . . . . 52.38 18.81 0.99 Allowed 'General case' 0 CA--C 1.533 0.321 0 C-N-CA 124.045 0.938 . . . . 0.0 112.53 -177.668 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -149.83 7.91 0.65 Allowed 'General case' 0 CA--C 1.533 0.323 0 C-N-CA 123.491 0.716 . . . . 0.0 111.533 -178.074 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 10.7 pt-20 -81.55 -6.4 58.94 Favored 'General case' 0 CA--C 1.531 0.24 0 N-CA-C 112.52 0.563 . . . . 0.0 112.52 -175.644 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 104' ' ' MET . . . . . . . . . . . . . 24.9 ptp -131.88 11.57 4.73 Favored 'General case' 0 CA--C 1.528 0.133 0 N-CA-C 112.604 0.594 . . . . 0.0 112.604 -177.057 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 105' ' ' TYR . . . . . . . . . . . . . 74.6 m-85 -111.69 5.8 19.46 Favored 'General case' 0 CA--C 1.533 0.305 0 C-N-CA 123.106 0.562 . . . . 0.0 111.531 -179.085 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 106' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.523 0.589 0 N-CA-C 110.827 -0.909 . . . . 0.0 110.827 179.896 . . . . . . . . 0 0 . 1 . 020 nuclear nobuild core ' A' A ' 4' ' ' ASN . . . . . . . . . . . . . 67.3 t30 . . . . . 0 CA--C 1.534 0.354 0 N-CA-C 111.525 0.194 . . . . 0.0 111.525 . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild core ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 87.0 t -91.35 130.42 40.55 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.223 0 C-N-CA 122.851 0.46 . . . . 0.0 110.909 -177.053 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 48.6 p -147.82 12.73 1.01 Allowed 'General case' 0 CA--C 1.532 0.254 0 C-N-CA 123.46 0.704 . . . . 0.0 111.876 -179.644 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 7' ' ' ASN . . . . . . . . . . . . . 60.8 t-20 . . . . . 0 CA--C 1.531 0.222 0 CA-C-N 119.11 0.868 . . . . 0.0 111.828 -178.391 . . . . . . . . 0 0 . 1 . 020 nuclear nobuild core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 79.1 p . . . . . 0 N--CA 1.455 -0.213 0 CA-C-O 120.635 0.255 . . . . 0.0 110.868 . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild core ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 35.2 ttm180 -95.58 153.27 17.8 Favored 'General case' 0 C--O 1.233 0.189 0 C-N-CA 124.112 0.965 . . . . 0.0 110.042 -179.262 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 96.5 t -131.28 132.42 63.03 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.315 0 CA-C-O 120.915 0.388 . . . . 0.0 110.088 176.296 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 29.4 t80 -92.54 135.36 34.13 Favored 'General case' 0 N--CA 1.452 -0.353 0 CA-C-N 115.439 -0.8 . . . . 0.0 108.943 175.884 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 59.0 mt -122.68 83.61 0.82 Allowed 'Isoleucine or valine' 0 CA--C 1.523 -0.096 0 N-CA-C 107.979 -1.119 . . . . 0.0 107.979 -179.56 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -83.28 173.8 51.96 Favored Glycine 0 CA--C 1.524 0.644 0 N-CA-C 110.97 -0.852 . . . . 0.0 110.97 178.417 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 56.1 t30 48.58 49.12 18.94 Favored 'General case' 0 N--CA 1.454 -0.26 0 C-N-CA 123.264 0.626 . . . . 0.0 111.124 -178.257 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 55.8 tp -99.91 144.4 29.01 Favored 'General case' 0 CA--C 1.531 0.238 0 N-CA-C 109.195 -0.669 . . . . 0.0 109.195 179.868 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 63.6 t30 -69.41 -36.48 76.76 Favored 'General case' 0 CA--C 1.53 0.192 0 O-C-N 122.257 -0.277 . . . . 0.0 111.223 -177.715 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 46.1 p 52.93 2.2 0.02 OUTLIER 'General case' 0 N--CA 1.466 0.328 0 C-N-CA 126.886 2.074 . . . . 0.0 115.363 178.971 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 7.1 mp -96.16 -16.03 21.74 Favored 'General case' 0 N--CA 1.454 -0.239 0 C-N-CA 123.436 0.694 . . . . 0.0 111.23 177.027 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 57.4 t -125.99 -20.74 2.46 Favored 'Isoleucine or valine' 0 C--N 1.338 0.101 0 C-N-CA 122.728 0.411 . . . . 0.0 110.634 179.566 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 58.4 t -107.39 140.87 24.16 Favored 'Isoleucine or valine' 0 C--N 1.337 0.065 0 N-CA-C 109.777 -0.453 . . . . 0.0 109.777 177.216 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 2.5 mptp? -133.36 172.72 12.31 Favored 'General case' 0 C--N 1.337 0.041 0 C-N-CA 123.759 0.824 . . . . 0.0 109.655 -178.986 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 4.0 ptmm? -66.11 -5.54 10.26 Favored 'General case' 0 CA--C 1.528 0.118 0 C-N-CA 123.735 0.814 . . . . 0.0 112.104 179.544 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 35.7 m -98.18 -0.05 44.97 Favored 'General case' 0 CA--C 1.533 0.296 0 C-N-CA 123.597 0.759 . . . . 0.0 110.507 174.812 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 20.6 m-20 -117.02 -33.74 4.62 Favored 'General case' 0 N--CA 1.455 -0.218 0 C-N-CA 123.867 0.867 . . . . 0.0 110.452 -179.265 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 84.7 t -62.77 -32.4 55.6 Favored 'Isoleucine or valine' 0 N--CA 1.456 -0.142 0 N-CA-C 109.159 -0.682 . . . . 0.0 109.159 178.209 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 23.9 pt-20 -78.92 7.14 7.66 Favored 'General case' 0 CA--C 1.53 0.189 0 N-CA-C 112.124 0.416 . . . . 0.0 112.124 178.374 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -126.66 -7.31 6.23 Favored 'General case' 0 CA--C 1.531 0.248 0 C-N-CA 123.179 0.591 . . . . 0.0 111.03 177.74 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 74.3 mt -110.79 -27.67 2.8 Favored 'Isoleucine or valine' 0 C--O 1.232 0.135 0 C-N-CA 122.955 0.502 . . . . 0.0 110.562 178.836 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 37' ' ' PHE . . . . . . . . . . . . . 64.4 m-85 -102.67 -8.62 20.75 Favored 'General case' 0 N--CA 1.453 -0.28 0 C-N-CA 122.586 0.355 . . . . 0.0 111.106 179.515 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 66.0 p -72.87 -14.03 61.4 Favored 'General case' 0 C--N 1.338 0.106 0 C-N-CA 122.444 0.298 . . . . 0.0 111.589 -179.013 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 18.4 ptmt -83.23 -11.24 58.01 Favored 'General case' 0 CA--C 1.529 0.171 0 C-N-CA 123.361 0.664 . . . . 0.0 112.232 179.063 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 40' ' ' TYR . . . . . . . . . . . . . 78.8 m-85 -105.7 -15.05 15.07 Favored 'General case' 0 C--O 1.233 0.221 0 C-N-CA 122.475 0.31 . . . . 0.0 111.275 177.822 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -176.24 160.7 28.65 Favored Glycine 0 CA--C 1.522 0.507 0 N-CA-C 111.989 -0.444 . . . . 0.0 111.989 174.084 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 78.3 tttt -71.57 114.74 9.97 Favored 'General case' 0 N--CA 1.45 -0.451 0 N-CA-C 109.075 -0.713 . . . . 0.0 109.075 177.504 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 43' ' ' ILE . . . . . . . . . . . . . 74.3 mt -83.65 129.21 37.92 Favored 'Isoleucine or valine' 0 C--O 1.233 0.236 0 N-CA-C 109.688 -0.486 . . . . 0.0 109.688 -177.713 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 33.7 m -110.89 -5.08 11.15 Favored 'Isoleucine or valine' 0 CA--C 1.528 0.128 0 C-N-CA 123.303 0.641 . . . . 0.0 110.756 179.276 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . -167.43 144.11 8.74 Favored Glycine 0 CA--C 1.523 0.586 0 N-CA-C 109.687 -1.365 . . . . 0.0 109.687 177.388 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 46' ' ' CYS . . . . . . . . . . . . . 31.2 p -149.09 146.54 27.76 Favored 'General case' 0 N--CA 1.453 -0.301 0 CA-C-N 116.967 0.383 . . . . 0.0 110.089 -178.755 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 28.3 t -156.96 148.17 22.06 Favored 'General case' 0 N--CA 1.453 -0.303 0 N-CA-C 110.35 -0.241 . . . . 0.0 110.35 177.287 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 48' ' ' VAL . . . . . . . . . . . . . 92.8 t -125.82 147.09 30.62 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.206 0 N-CA-C 109.343 -0.614 . . . . 0.0 109.343 175.747 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 49' ' ' HIS . . . . . . . . . . . . . 56.1 m-70 -133.99 -166.87 1.86 Allowed 'General case' 0 N--CA 1.451 -0.393 0 C-N-CA 124.7 1.2 . . . . 0.0 107.944 -177.202 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 54.4 tttp -90.32 117.55 29.14 Favored 'General case' 0 N--CA 1.45 -0.456 0 C-N-CA 120.541 -0.464 . . . . 0.0 110.045 179.133 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 81.09 -6.34 63.4 Favored Glycine 0 CA--C 1.53 1.006 0 CA-C-O 119.538 -0.59 . . . . 0.0 113.678 179.48 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 51.2 p90 -155.56 170.9 20.92 Favored 'General case' 0 N--CA 1.456 -0.167 0 CA-C-N 118.548 1.174 . . . . 0.0 111.462 178.11 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -148.88 174.14 12.55 Favored 'General case' 0 N--CA 1.455 -0.188 0 C-N-CA 123.736 0.814 . . . . 0.0 110.444 177.434 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 54' ' ' PHE . . . . . . . . . . . . . 7.5 m-85 -141.02 148.22 39.91 Favored 'General case' 0 N--CA 1.454 -0.266 0 C-N-CA 123.572 0.749 . . . . 0.0 110.932 179.772 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 91.4 t -136.84 149.41 26.51 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.255 0 C-N-CA 124.166 0.986 . . . . 0.0 108.769 178.25 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 56' ' ' GLN . . . . . . . . . . . . . 58.3 tp60 -130.36 130.86 44.95 Favored 'General case' 0 N--CA 1.449 -0.519 0 N-CA-C 109.163 -0.68 . . . . 0.0 109.163 -178.77 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 57' ' ' TYR . . . . . . . . . . . . . 45.9 m-85 -112.47 177.75 4.53 Favored 'General case' 0 C--N 1.332 -0.184 0 C-N-CA 123.059 0.544 . . . . 0.0 110.752 -179.635 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 58' ' ' VAL . . . . . . . . . . . . . 53.7 t -72.45 -32.1 40.68 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.323 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.523 177.833 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 59' ' ' ASN . . . . . . . . . . . . . 0.0 OUTLIER -153.84 168.07 27.56 Favored 'General case' 0 N--CA 1.454 -0.268 0 N-CA-C 112.699 0.629 . . . . 0.0 112.699 178.99 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 86.3 tt0 -58.27 -30.66 66.76 Favored 'General case' 0 N--CA 1.454 -0.249 0 C-N-CA 123.963 0.905 . . . . 0.0 112.186 -178.165 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 19.3 tpp180 -60.81 -38.83 86.71 Favored 'General case' 0 C--N 1.338 0.105 0 CA-C-N 118.815 0.734 . . . . 0.0 110.239 179.96 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 62' ' ' ASN . . . . . . . . . . . . . 20.2 m120 -69.93 -25.6 63.74 Favored 'General case' 0 N--CA 1.452 -0.341 0 C-N-CA 120.854 -0.338 . . . . 0.0 110.987 179.831 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -74.22 -37.15 63.92 Favored 'General case' 0 N--CA 1.454 -0.241 0 N-CA-C 110.392 -0.225 . . . . 0.0 110.392 178.153 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 64' ' ' ARG . . . . . . . . . . . . . 35.1 mmt180 -69.0 -27.02 65.32 Favored 'General case' 0 CA--C 1.528 0.104 0 N-CA-C 110.239 -0.282 . . . . 0.0 110.239 179.178 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -78.27 -33.49 49.54 Favored 'General case' 0 N--CA 1.452 -0.366 0 O-C-N 122.512 -0.117 . . . . 0.0 111.255 -179.061 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -83.46 -35.07 25.23 Favored 'General case' 0 N--CA 1.45 -0.43 0 O-C-N 122.192 -0.318 . . . . 0.0 111.566 179.188 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 67' ' ' VAL . . . . . . . . . . . . . 54.1 t -65.31 -30.83 51.44 Favored 'Isoleucine or valine' 0 CA--C 1.527 0.062 0 N-CA-C 109.859 -0.422 . . . . 0.0 109.859 175.971 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -95.33 -10.2 30.81 Favored 'General case' 0 CA--C 1.53 0.198 0 N-CA-C 112.31 0.485 . . . . 0.0 112.31 177.467 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . -102.0 -13.0 32.74 Favored Glycine 0 CA--C 1.528 0.88 0 CA-C-O 119.323 -0.709 . . . . 0.0 114.094 -177.72 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 25.6 mm-40 -133.55 -19.18 2.14 Favored 'General case' 0 N--CA 1.462 0.151 0 CA-C-N 118.497 1.148 . . . . 0.0 112.24 -175.242 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 22.9 t70 -61.69 117.7 6.15 Favored 'General case' 0 C--O 1.231 0.095 0 O-C-N 121.258 -0.901 . . . . 0.0 109.573 178.348 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . 87.21 10.3 71.62 Favored Glycine 0 C--N 1.336 0.58 0 N-CA-C 110.973 -0.851 . . . . 0.0 110.973 178.738 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 73' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -76.38 169.15 18.77 Favored 'General case' 0 N--CA 1.448 -0.539 0 N-CA-C 106.308 -1.738 . . . . 0.0 106.308 171.73 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 74' ' ' MET . . . . . . . . . . . . . 33.3 ttm -114.3 121.91 45.11 Favored 'General case' 0 N--CA 1.449 -0.506 0 N-CA-C 109.203 -0.665 . . . . 0.0 109.203 -176.895 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 75' ' ' ILE . . . . . . . . . . . . . 0.2 OUTLIER -129.45 135.79 60.81 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.435 0 N-CA-C 109.483 -0.562 . . . . 0.0 109.483 179.469 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . 54.67 17.95 1.89 Allowed 'General case' 0 N--CA 1.455 -0.218 0 C-N-CA 123.329 0.652 . . . . 0.0 112.184 -174.346 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 89.33 4.31 74.16 Favored Glycine 0 CA--C 1.529 0.955 0 CA-C-O 119.727 -0.485 . . . . 0.0 112.06 -179.402 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 78' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -124.58 131.47 53.48 Favored 'General case' 0 N--CA 1.45 -0.451 0 CA-C-N 117.598 0.699 . . . . 0.0 110.389 -179.19 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 79' ' ' VAL . . . . . . . . . . . . . 51.4 t -63.32 140.89 18.9 Favored 'Isoleucine or valine' 0 CA--C 1.522 -0.115 0 C-N-CA 124.379 1.072 . . . . 0.0 110.219 -178.747 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 29.6 mt -95.54 156.06 16.48 Favored 'General case' 0 C--N 1.337 0.052 0 CA-C-O 120.846 0.355 . . . . 0.0 111.292 176.957 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 81' ' ' ASP . . . . . . . . . . . . . 4.7 m-20 -125.06 99.63 6.2 Favored 'General case' 0 N--CA 1.455 -0.19 0 N-CA-C 107.677 -1.231 . . . . 0.0 107.677 176.665 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 82' ' ' ILE . . . . . . . . . . . . . 64.9 mt -113.31 140.56 32.85 Favored 'Isoleucine or valine' 0 C--N 1.333 -0.109 0 C-N-CA 123.704 0.801 . . . . 0.0 110.206 -170.113 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 83' ' ' ASN . . . . . . . . . . . . . 8.6 t30 -153.53 156.51 38.22 Favored 'General case' 0 CA--C 1.531 0.241 0 C-N-CA 122.33 0.252 . . . . 0.0 110.627 -175.097 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 84' ' ' LEU . . . . . . . . . . . . . 1.1 tm? -60.47 128.86 38.75 Favored 'General case' 0 N--CA 1.449 -0.505 0 N-CA-C 108.615 -0.883 . . . . 0.0 108.615 174.057 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.532 0.272 0 N-CA-C 114.673 1.36 . . . . 0.0 114.673 -173.171 . . . . . . . . 0 0 . 1 . 020 nuclear nobuild core ' A' A ' 98' ' ' LYS . . . . . . . . . . . . . 35.0 mmtp . . . . . 0 CA--C 1.529 0.14 0 N-CA-C 111.979 0.363 . . . . 0.0 111.979 . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild core ' A' A ' 99' ' ' ARG . . . . . . . . . . . . . 2.4 mpp_? -115.83 167.54 10.85 Favored 'General case' 0 C--O 1.231 0.1 0 C-N-CA 124.034 0.933 . . . . 0.0 109.861 178.789 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 71.6 m -72.12 -8.6 55.56 Favored 'General case' 0 N--CA 1.454 -0.232 0 C-N-CA 122.789 0.436 . . . . 0.0 111.793 178.281 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 101' ' ' ALA . . . . . . . . . . . . . . . 52.28 15.46 0.46 Allowed 'General case' 0 CA--C 1.534 0.338 0 C-N-CA 124.194 0.998 . . . . 0.0 112.357 -173.739 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -150.85 15.6 0.75 Allowed 'General case' 0 CA--C 1.53 0.185 0 C-N-CA 123.694 0.798 . . . . 0.0 111.14 -178.217 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 16.2 pt-20 -69.43 -2.66 11.69 Favored 'General case' 0 CA--C 1.531 0.225 0 N-CA-C 112.779 0.659 . . . . 0.0 112.779 -175.576 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 104' ' ' MET . . . . . . . . . . . . . 73.7 mtm -109.04 8.54 26.23 Favored 'General case' 0 CA--C 1.53 0.183 0 C-N-CA 123.445 0.698 . . . . 0.0 111.215 178.016 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 105' ' ' TYR . . . . . . . . . . . . . 63.9 m-85 -133.83 2.27 3.4 Favored 'General case' 0 CA--C 1.531 0.246 0 C-N-CA 123.069 0.547 . . . . 0.0 111.816 -177.993 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 106' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--N 1.339 0.706 0 N-CA-C 111.586 -0.606 . . . . 0.0 111.586 179.622 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.474 0.752 0 CA-C-O 120.528 0.204 . . . . 0.0 110.88 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 49.2 m -66.46 159.4 27.21 Favored 'General case' 0 N--CA 1.458 -0.071 0 C-N-CA 123.209 0.604 . . . . 0.0 111.32 -179.922 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 4' ' ' ASN . . . . . . . . . . . . . 58.9 t30 -87.62 0.54 55.51 Favored 'General case' 0 CA--C 1.533 0.312 0 C-N-CA 123.183 0.593 . . . . 0.0 111.081 -179.737 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 86.0 t -94.53 132.39 38.69 Favored 'Isoleucine or valine' 0 N--CA 1.457 -0.097 0 C-N-CA 122.907 0.483 . . . . 0.0 111.316 -175.649 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 76.0 p -150.88 6.33 0.52 Allowed 'General case' 0 C--O 1.224 -0.272 0 C-N-CA 123.85 0.86 . . . . 0.0 111.905 -178.065 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 7' ' ' ASN . . . . . . . . . . . . . 37.1 p30 -103.73 18.24 22.36 Favored 'General case' 0 CA--C 1.53 0.181 0 N-CA-C 114.244 1.201 . . . . 0.0 114.244 -172.986 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 55.1 mtmt -64.66 140.92 58.92 Favored 'General case' 0 N--CA 1.456 -0.148 0 O-C-N 122.086 -0.384 . . . . 0.0 110.048 177.932 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 73.3 p -112.42 15.23 20.3 Favored 'General case' 0 C--N 1.333 -0.143 0 N-CA-C 112.999 0.74 . . . . 0.0 112.999 -173.41 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 17.0 m-20 -63.29 152.31 85.1 Favored Pre-proline 0 CA--C 1.531 0.249 0 O-C-N 122.063 -0.398 . . . . 0.0 110.333 179.039 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 11' ' ' PRO . . . . . . . . . . . . . 61.0 Cg_endo -66.16 1.49 2.41 Favored 'Trans proline' 0 N--CA 1.459 -0.557 0 C-N-CA 123.984 3.123 . . . . 0.0 112.976 -175.13 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 2.6 tmm_? -127.41 -33.88 2.31 Favored 'General case' 0 CA--C 1.526 0.051 0 N-CA-C 109.467 -0.568 . . . . 0.0 109.467 176.584 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 50.6 m -73.18 -23.27 60.4 Favored 'General case' 0 C--N 1.333 -0.143 0 O-C-N 122.306 -0.246 . . . . 0.0 111.36 -177.657 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 14' ' ' MET . . . . . . . . . . . . . 14.5 ptm -91.78 -1.3 57.43 Favored 'General case' 0 N--CA 1.455 -0.22 0 CA-C-N 118.612 0.642 . . . . 0.0 111.902 176.375 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 68.5 m-80 -105.69 -22.19 13.02 Favored 'General case' 0 CA--C 1.529 0.159 0 C-N-CA 122.85 0.46 . . . . 0.0 110.363 174.785 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 80.4 p -85.91 6.02 30.32 Favored 'General case' 0 N--CA 1.456 -0.165 0 C-N-CA 122.565 0.346 . . . . 0.0 110.983 170.293 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 28.5 ttp-105 -101.14 153.42 19.6 Favored 'General case' 0 C--N 1.341 0.2 0 C-N-CA 123.387 0.675 . . . . 0.0 110.016 177.308 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 62.2 t -126.54 130.24 71.74 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.294 0 C-N-CA 123.289 0.636 . . . . 0.0 110.147 178.047 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 18.1 t80 -89.54 131.25 35.65 Favored 'General case' 0 N--CA 1.454 -0.264 0 C-N-CA 123.873 0.869 . . . . 0.0 109.192 174.979 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 55.8 mt -120.73 85.91 0.96 Allowed 'Isoleucine or valine' 0 N--CA 1.456 -0.164 0 N-CA-C 107.973 -1.121 . . . . 0.0 107.973 179.806 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -86.41 175.15 47.49 Favored Glycine 0 CA--C 1.526 0.765 0 N-CA-C 110.883 -0.887 . . . . 0.0 110.883 178.532 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 9.8 t30 51.15 41.71 27.96 Favored 'General case' 0 CA--C 1.533 0.291 0 C-N-CA 123.028 0.531 . . . . 0.0 110.916 179.229 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 56.0 tp -94.14 145.67 24.53 Favored 'General case' 0 N--CA 1.455 -0.202 0 C-N-CA 123.546 0.738 . . . . 0.0 109.862 -179.334 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 64.0 t30 -69.94 -39.23 76.2 Favored 'General case' 0 CA--C 1.527 0.086 0 O-C-N 121.868 -0.52 . . . . 0.0 111.189 -178.903 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 30.9 p 56.59 -5.95 0.03 OUTLIER 'General case' 0 N--CA 1.466 0.358 0 C-N-CA 127.056 2.142 . . . . 0.0 115.457 179.37 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 3.8 mm? -87.98 -16.45 33.72 Favored 'General case' 0 N--CA 1.454 -0.249 0 C-N-CA 123.186 0.594 . . . . 0.0 111.549 177.761 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 61.6 t -126.88 -18.37 2.68 Favored 'Isoleucine or valine' 0 C--O 1.231 0.111 0 C-N-CA 122.531 0.332 . . . . 0.0 110.57 179.562 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 60.8 t -111.2 135.09 51.45 Favored 'Isoleucine or valine' 0 C--O 1.231 0.125 0 O-C-N 122.099 -0.376 . . . . 0.0 110.34 177.569 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 3.9 mptp? -129.88 174.25 9.92 Favored 'General case' 0 CA--C 1.523 -0.064 0 C-N-CA 123.912 0.885 . . . . 0.0 109.855 -178.17 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 11.3 ptmt -65.5 -6.2 10.0 Favored 'General case' 0 CA--C 1.529 0.17 0 C-N-CA 123.777 0.831 . . . . 0.0 112.494 -179.485 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 43.8 m -98.58 0.47 44.96 Favored 'General case' 0 N--CA 1.455 -0.216 0 C-N-CA 123.343 0.657 . . . . 0.0 110.534 175.183 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 26.2 m-20 -117.19 -34.41 4.36 Favored 'General case' 0 N--CA 1.454 -0.27 0 C-N-CA 123.914 0.886 . . . . 0.0 110.743 -179.755 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 33' ' ' VAL . . . . . 0.403 HG13 ' CD1' ' A' ' 37' ' ' PHE . 92.6 t -64.65 -31.32 53.2 Favored 'Isoleucine or valine' 0 CA--C 1.527 0.089 0 N-CA-C 109.107 -0.701 . . . . 0.0 109.107 178.894 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 25.5 pt-20 -79.52 7.26 8.5 Favored 'General case' 0 CA--C 1.53 0.201 0 C-N-CA 122.499 0.319 . . . . 0.0 111.719 178.63 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -125.07 -8.4 7.13 Favored 'General case' 0 CA--C 1.531 0.247 0 C-N-CA 123.337 0.655 . . . . 0.0 110.942 176.18 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 72.0 mt -108.96 -27.46 2.93 Favored 'Isoleucine or valine' 0 CA--C 1.531 0.214 0 C-N-CA 123.084 0.554 . . . . 0.0 111.068 178.704 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 37' ' ' PHE . . . . . 0.403 ' CD1' HG13 ' A' ' 33' ' ' VAL . 60.4 m-85 -103.55 -6.76 21.41 Favored 'General case' 0 CA--C 1.529 0.15 0 C-N-CA 122.797 0.439 . . . . 0.0 110.839 179.807 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 71.2 p -74.91 -13.96 60.6 Favored 'General case' 0 N--CA 1.457 -0.107 0 C-N-CA 122.561 0.345 . . . . 0.0 111.511 -179.732 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 18.6 ptmt -81.9 -11.52 58.87 Favored 'General case' 0 CA--C 1.531 0.24 0 C-N-CA 123.25 0.62 . . . . 0.0 112.094 179.554 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 40' ' ' TYR . . . . . . . . . . . . . 67.8 m-85 -106.48 -15.63 14.75 Favored 'General case' 0 CA--C 1.53 0.175 0 C-N-CA 122.416 0.286 . . . . 0.0 111.33 178.168 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -174.49 161.81 31.79 Favored Glycine 0 CA--C 1.521 0.453 0 N-CA-C 111.891 -0.484 . . . . 0.0 111.891 174.671 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 77.6 tttt -73.08 114.46 11.28 Favored 'General case' 0 N--CA 1.451 -0.409 0 N-CA-C 108.991 -0.744 . . . . 0.0 108.991 177.422 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 43' ' ' ILE . . . . . . . . . . . . . 77.9 mt -83.33 129.65 37.12 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.264 0 N-CA-C 109.509 -0.552 . . . . 0.0 109.509 -178.17 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 33.8 m -109.15 -4.89 10.79 Favored 'Isoleucine or valine' 0 CA--C 1.527 0.066 0 C-N-CA 123.073 0.549 . . . . 0.0 110.508 179.108 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . -173.1 147.76 9.9 Favored Glycine 0 C--N 1.337 0.612 0 N-CA-C 109.78 -1.328 . . . . 0.0 109.78 177.167 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 46' ' ' CYS . . . . . . . . . . . . . 50.6 t -152.56 145.8 24.7 Favored 'General case' 0 N--CA 1.452 -0.369 0 N-CA-C 109.913 -0.403 . . . . 0.0 109.913 179.338 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 91.7 p -149.14 146.99 27.94 Favored 'General case' 0 N--CA 1.451 -0.377 0 N-CA-C 109.755 -0.461 . . . . 0.0 109.755 177.29 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 48' ' ' VAL . . . . . . . . . . . . . 94.5 t -124.41 147.01 29.04 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.158 0 N-CA-C 109.158 -0.682 . . . . 0.0 109.158 175.628 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 49' ' ' HIS . . . . . . . . . . . . . 45.8 m-70 -136.25 -166.53 1.89 Allowed 'General case' 0 N--CA 1.449 -0.489 0 C-N-CA 124.239 1.016 . . . . 0.0 108.265 -176.042 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 75.5 mmtt -87.13 116.89 25.5 Favored 'General case' 0 C--O 1.232 0.145 0 CA-C-N 118.433 0.56 . . . . 0.0 110.035 177.441 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 80.81 -9.39 52.36 Favored Glycine 0 CA--C 1.53 0.987 0 C-N-CA 123.842 0.734 . . . . 0.0 113.608 178.088 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 50.6 p90 -149.96 168.19 24.52 Favored 'General case' 0 CA--C 1.53 0.174 0 CA-C-N 118.827 1.314 . . . . 0.0 111.672 178.795 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -148.51 170.75 17.36 Favored 'General case' 0 N--CA 1.455 -0.207 0 C-N-CA 123.865 0.866 . . . . 0.0 110.129 176.403 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 54' ' ' PHE . . . . . . . . . . . . . 21.7 m-85 -138.24 145.98 42.01 Favored 'General case' 0 N--CA 1.453 -0.284 0 C-N-CA 123.762 0.825 . . . . 0.0 110.4 179.268 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 96.6 t -134.81 136.65 51.95 Favored 'Isoleucine or valine' 0 CA--C 1.518 -0.251 0 N-CA-C 108.834 -0.802 . . . . 0.0 108.834 177.813 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 56' ' ' GLN . . . . . . . . . . . . . 61.1 tp60 -116.16 128.33 55.54 Favored 'General case' 0 N--CA 1.449 -0.507 0 N-CA-C 109.307 -0.627 . . . . 0.0 109.307 -176.675 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 57' ' ' TYR . . . . . . . . . . . . . 37.7 m-85 -111.69 175.97 5.21 Favored 'General case' 0 N--CA 1.454 -0.246 0 C-N-CA 123.473 0.709 . . . . 0.0 110.907 -179.706 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 58' ' ' VAL . . . . . . . . . . . . . 79.4 t -72.68 -29.98 32.02 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.251 0 CA-C-N 115.982 -0.553 . . . . 0.0 110.486 179.056 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 59' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -156.89 169.33 25.02 Favored 'General case' 0 N--CA 1.455 -0.224 0 N-CA-C 112.257 0.465 . . . . 0.0 112.257 177.901 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 61.5 tt0 -58.96 -31.61 68.88 Favored 'General case' 0 N--CA 1.455 -0.184 0 C-N-CA 123.263 0.625 . . . . 0.0 111.969 -178.173 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 19.2 tpp180 -59.48 -38.72 81.59 Favored 'General case' 0 N--CA 1.462 0.138 0 CA-C-N 118.941 0.791 . . . . 0.0 110.227 -179.187 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 62' ' ' ASN . . . . . . . . . . . . . 19.1 m120 -70.52 -25.8 63.29 Favored 'General case' 0 N--CA 1.452 -0.364 0 C-N-CA 120.877 -0.329 . . . . 0.0 110.862 179.881 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -74.99 -35.36 62.03 Favored 'General case' 0 N--CA 1.454 -0.259 0 N-CA-C 110.029 -0.36 . . . . 0.0 110.029 178.365 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 64' ' ' ARG . . . . . . . . . . . . . 38.8 mmt180 -69.38 -27.33 65.22 Favored 'General case' 0 N--CA 1.462 0.15 0 N-CA-C 110.261 -0.274 . . . . 0.0 110.261 178.585 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -78.35 -32.7 49.22 Favored 'General case' 0 N--CA 1.454 -0.253 0 O-C-N 122.545 -0.097 . . . . 0.0 110.855 -178.895 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -83.84 -34.5 24.65 Favored 'General case' 0 N--CA 1.454 -0.249 0 O-C-N 122.239 -0.288 . . . . 0.0 111.574 179.736 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 67' ' ' VAL . . . . . . . . . . . . . 48.4 t -65.38 -31.53 54.25 Favored 'Isoleucine or valine' 0 N--CA 1.457 -0.094 0 N-CA-C 110.003 -0.369 . . . . 0.0 110.003 175.479 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -95.26 -9.38 33.34 Favored 'General case' 0 CA--C 1.53 0.185 0 N-CA-C 112.189 0.44 . . . . 0.0 112.189 177.901 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . -102.0 -14.59 28.49 Favored Glycine 0 CA--C 1.53 0.97 0 CA-C-O 119.302 -0.721 . . . . 0.0 113.972 -178.082 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 43.1 mm-40 -132.38 -19.3 2.46 Favored 'General case' 0 CA--C 1.528 0.124 0 CA-C-N 118.559 1.179 . . . . 0.0 112.394 -173.939 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 20.7 t70 -61.47 118.16 6.64 Favored 'General case' 0 N--CA 1.455 -0.22 0 O-C-N 121.076 -1.015 . . . . 0.0 109.649 178.252 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . 87.67 9.69 71.39 Favored Glycine 0 C--N 1.338 0.641 0 N-CA-C 111.311 -0.716 . . . . 0.0 111.311 179.064 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 73' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -75.91 169.53 17.97 Favored 'General case' 0 N--CA 1.451 -0.397 0 N-CA-C 106.604 -1.628 . . . . 0.0 106.604 171.83 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 74' ' ' MET . . . . . . . . . . . . . 31.6 ttm -115.21 120.26 39.12 Favored 'General case' 0 N--CA 1.449 -0.497 0 N-CA-C 108.885 -0.783 . . . . 0.0 108.885 -176.734 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 75' ' ' ILE . . . . . . . . . . . . . 0.2 OUTLIER -127.35 136.23 61.17 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.418 0 N-CA-C 109.556 -0.535 . . . . 0.0 109.556 179.594 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . 54.46 18.77 2.07 Favored 'General case' 0 CA--C 1.533 0.309 0 C-N-CA 123.416 0.686 . . . . 0.0 111.872 -174.256 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 88.33 5.58 75.66 Favored Glycine 0 CA--C 1.528 0.861 0 CA-C-O 119.848 -0.418 . . . . 0.0 112.163 -179.22 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 78' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -126.07 134.28 51.44 Favored 'General case' 0 N--CA 1.452 -0.332 0 CA-C-N 117.861 0.83 . . . . 0.0 110.419 -179.832 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 79' ' ' VAL . . . . . . . . . . . . . 76.6 t -63.12 141.78 17.66 Favored 'Isoleucine or valine' 0 N--CA 1.461 0.101 0 C-N-CA 124.46 1.104 . . . . 0.0 110.98 -178.919 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 30.3 mt -97.16 155.7 16.72 Favored 'General case' 0 N--CA 1.456 -0.132 0 CA-C-O 120.81 0.338 . . . . 0.0 111.226 175.829 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 81' ' ' ASP . . . . . . . . . . . . . 36.9 t70 -122.75 102.94 8.33 Favored 'General case' 0 N--CA 1.454 -0.246 0 N-CA-C 107.584 -1.265 . . . . 0.0 107.584 173.981 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 82' ' ' ILE . . . . . . . . . . . . . 59.4 mt -116.45 139.37 43.52 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.189 0 CA-C-N 115.942 -0.572 . . . . 0.0 110.142 -170.739 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 83' ' ' ASN . . . . . . . . . . . . . 2.9 t30 -155.26 161.59 41.1 Favored 'General case' 0 N--CA 1.452 -0.365 0 C-N-CA 122.818 0.447 . . . . 0.0 109.915 -175.255 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 84' ' ' LEU . . . . . . . . . . . . . 6.1 tp -60.12 146.44 43.18 Favored 'General case' 0 N--CA 1.452 -0.367 0 N-CA-C 109.141 -0.688 . . . . 0.0 109.141 173.704 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . -76.87 2.38 14.77 Favored 'General case' 0 CA--C 1.534 0.337 0 N-CA-C 113.24 0.83 . . . . 0.0 113.24 -177.739 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . -134.83 2.58 3.15 Favored 'General case' 0 CA--C 1.531 0.218 0 CA-C-N 118.84 0.745 . . . . 0.0 112.892 -176.684 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 77.7 mt-10 -140.19 61.97 19.01 Favored Pre-proline 0 CA--C 1.529 0.159 0 C-N-CA 122.783 0.433 . . . . 0.0 110.042 -179.868 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 88' ' ' PRO . . . . . . . . . . . . . 37.5 Cg_endo -58.93 142.23 99.0 Favored 'Trans proline' 0 N--CA 1.452 -0.97 0 C-N-CA 123.294 2.663 . . . . 0.0 109.61 -178.027 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 89' ' ' LYS . . . . . 0.421 ' HG3' ' H ' ' A' ' 90' ' ' VAL . 13.1 ptpt -59.48 -79.81 0.02 OUTLIER 'General case' 0 CA--C 1.528 0.114 0 C-N-CA 124.289 1.036 . . . . 0.0 112.384 -171.914 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 90' ' ' VAL . . . . . 0.421 ' H ' ' HG3' ' A' ' 89' ' ' LYS . 87.6 t -147.61 -41.0 0.1 Allowed 'Isoleucine or valine' 0 C--N 1.337 0.043 0 N-CA-C 109.337 -0.616 . . . . 0.0 109.337 179.161 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 91' ' ' ASN . . . . . . . . . . . . . 62.6 m-80 -124.48 166.17 16.5 Favored 'General case' 0 N--CA 1.449 -0.499 0 N-CA-C 108.99 -0.744 . . . . 0.0 108.99 178.721 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 92' ' ' ARG . . . . . . . . . . . . . 11.4 ttm180 -140.32 -53.03 0.5 Allowed 'General case' 0 N--CA 1.456 -0.158 0 C-N-CA 122.12 0.168 . . . . 0.0 110.657 179.267 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . -69.88 124.21 14.24 Favored Glycine 0 C--N 1.335 0.476 0 N-CA-C 112.511 -0.236 . . . . 0.0 112.511 -173.108 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 29.9 ttpt 55.78 -9.6 0.02 OUTLIER 'General case' 0 CA--C 1.531 0.232 0 C-N-CA 126.755 2.022 . . . . 0.0 115.348 177.545 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . -158.05 159.63 36.55 Favored 'General case' 0 N--CA 1.449 -0.48 0 CA-C-N 118.805 0.73 . . . . 0.0 111.667 -178.379 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . -174.43 11.25 0.03 OUTLIER Glycine 0 CA--C 1.525 0.701 0 CA-C-O 119.697 -0.502 . . . . 0.0 113.284 -179.583 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 97' ' ' VAL . . . . . 0.469 HG22 ' H ' ' A' ' 99' ' ' ARG . 13.7 p -132.42 137.74 53.7 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.222 0 CA-C-N 118.351 1.076 . . . . 0.0 110.182 179.695 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 98' ' ' LYS . . . . . . . . . . . . . 35.5 mmtp -122.96 14.02 9.86 Favored 'General case' 0 CA--C 1.529 0.171 0 C-N-CA 123.799 0.84 . . . . 0.0 110.956 179.675 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 99' ' ' ARG . . . . . 0.469 ' H ' HG22 ' A' ' 97' ' ' VAL . 19.9 tpt180 -100.59 177.77 4.91 Favored 'General case' 0 C--N 1.333 -0.117 0 C-N-CA 124.25 1.02 . . . . 0.0 109.124 -179.632 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 100' ' ' SER . . . . . 0.411 ' H ' ' HG3' ' A' ' 99' ' ' ARG . 69.3 m -59.94 -18.27 43.94 Favored 'General case' 0 N--CA 1.455 -0.215 0 C-N-CA 122.939 0.496 . . . . 0.0 111.962 177.83 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 101' ' ' ALA . . . . . . . . . . . . . . . 52.13 17.72 0.74 Allowed 'General case' 0 CA--C 1.534 0.349 0 C-N-CA 124.084 0.954 . . . . 0.0 112.242 -177.213 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -148.16 7.95 0.82 Allowed 'General case' 0 N--CA 1.452 -0.327 0 C-N-CA 123.492 0.717 . . . . 0.0 111.45 -177.925 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 18.7 pt-20 -71.64 -6.15 38.87 Favored 'General case' 0 CA--C 1.532 0.251 0 N-CA-C 111.922 0.342 . . . . 0.0 111.922 -177.57 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 104' ' ' MET . . . . . . . . . . . . . 72.7 mtm -103.74 6.65 36.97 Favored 'General case' 0 CA--C 1.529 0.163 0 C-N-CA 123.846 0.858 . . . . 0.0 111.135 178.356 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 105' ' ' TYR . . . . . . . . . . . . . 60.3 m-85 -129.0 5.15 5.35 Favored 'General case' 0 CA--C 1.532 0.276 0 C-N-CA 123.171 0.588 . . . . 0.0 111.245 -177.675 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 106' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--N 1.336 0.555 0 N-CA-C 110.948 -0.861 . . . . 0.0 110.948 -179.719 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' B' B ' 1' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.424 -2.438 0 O4'-C1'-N19 111.281 3.081 . 0.0 '__' . 0.0 . . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' B' B ' 2' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.42 -2.743 1 O4'-C1'-N19 113.147 4.947 . 0.063 4b . 0.0 . . . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 3' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.42 -2.713 0 C5'-C4'-C3' 111.818 -2.455 . 0.188 0b . 0.0 . . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' B' B ' 4' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.42 -2.726 1 O4'-C1'-N19 112.609 4.409 . 0.164 4b . 0.0 . . . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 5' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.418 -2.913 1 O4'-C1'-N19 112.643 4.443 . 0.571 2h . 0.0 . . . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.472 0.669 0 CA-C-O 120.339 0.114 . . . . 0.0 110.903 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 38.9 t -70.64 162.27 29.25 Favored 'General case' 0 N--CA 1.457 -0.12 0 C-N-CA 122.498 0.319 . . . . 0.0 110.512 177.757 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 4' ' ' ASN . . . . . . . . . . . . . 3.4 p-10 -89.87 2.83 54.52 Favored 'General case' 0 CA--C 1.532 0.257 0 C-N-CA 122.554 0.342 . . . . 0.0 111.307 178.608 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 90.5 t -99.79 136.18 32.14 Favored 'Isoleucine or valine' 0 C--O 1.233 0.213 0 C-N-CA 122.839 0.455 . . . . 0.0 111.117 -176.02 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 67.6 p -149.02 7.72 0.72 Allowed 'General case' 0 CA--C 1.529 0.147 0 C-N-CA 123.546 0.739 . . . . 0.0 111.955 -178.261 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 7' ' ' ASN . . . . . . . . . . . . . 45.4 t30 -106.92 34.44 3.45 Favored 'General case' 0 CA--C 1.534 0.342 0 O-C-N 121.171 -0.956 . . . . 0.0 112.715 -173.935 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 56.4 mtmt -75.88 134.91 40.17 Favored 'General case' 0 N--CA 1.456 -0.136 0 N-CA-C 108.974 -0.75 . . . . 0.0 108.974 175.622 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 71.6 p -110.64 15.95 21.72 Favored 'General case' 0 C--N 1.333 -0.125 0 N-CA-C 112.782 0.66 . . . . 0.0 112.782 -173.911 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 10.6 m-20 -64.27 152.69 87.9 Favored Pre-proline 0 CA--C 1.531 0.215 0 N-CA-C 109.964 -0.384 . . . . 0.0 109.964 177.948 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 11' ' ' PRO . . . . . . . . . . . . . 68.9 Cg_endo -67.28 0.83 3.5 Favored 'Trans proline' 0 N--CA 1.456 -0.734 0 C-N-CA 124.248 3.298 . . . . 0.0 112.689 -174.256 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -127.8 -30.33 2.52 Favored 'General case' 0 N--CA 1.457 -0.081 0 C-N-CA 122.632 0.373 . . . . 0.0 110.201 176.951 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 38.9 m -76.68 -23.07 53.2 Favored 'General case' 0 N--CA 1.453 -0.294 0 CA-C-O 119.431 -0.319 . . . . 0.0 111.44 -178.569 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 14' ' ' MET . . . . . . . . . . . . . 13.0 ptm -88.17 -2.31 58.53 Favored 'General case' 0 CA--C 1.532 0.277 0 CA-C-N 118.969 0.804 . . . . 0.0 111.526 175.798 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 69.3 m-80 -103.71 -21.59 13.68 Favored 'General case' 0 N--CA 1.454 -0.258 0 C-N-CA 122.804 0.442 . . . . 0.0 110.697 175.659 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 78.2 p -86.8 6.4 31.8 Favored 'General case' 0 CA--C 1.53 0.196 0 C-N-CA 123.072 0.549 . . . . 0.0 111.009 171.214 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 26.3 ttp-105 -100.67 151.59 21.46 Favored 'General case' 0 C--N 1.339 0.116 0 C-N-CA 123.345 0.658 . . . . 0.0 110.095 177.753 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 74.6 t -126.21 129.41 72.09 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.249 0 C-N-CA 123.207 0.603 . . . . 0.0 110.067 178.143 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 14.1 t80 -88.19 133.15 34.1 Favored 'General case' 0 N--CA 1.451 -0.376 0 N-CA-C 109.157 -0.682 . . . . 0.0 109.157 175.232 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 60.3 mt -120.91 84.63 0.86 Allowed 'Isoleucine or valine' 0 N--CA 1.457 -0.122 0 N-CA-C 108.002 -1.11 . . . . 0.0 108.002 179.184 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -85.13 173.92 48.88 Favored Glycine 0 CA--C 1.524 0.61 0 N-CA-C 110.928 -0.869 . . . . 0.0 110.928 178.389 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 64.8 t30 49.42 47.23 22.68 Favored 'General case' 0 CA--C 1.533 0.291 0 C-N-CA 122.97 0.508 . . . . 0.0 110.916 -179.1 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 57.8 tp -98.7 144.75 27.62 Favored 'General case' 0 N--CA 1.453 -0.284 0 C-N-CA 123.327 0.651 . . . . 0.0 109.391 179.982 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 65.5 t30 -69.41 -42.3 75.25 Favored 'General case' 0 CA--C 1.53 0.197 0 CA-C-N 117.774 0.261 . . . . 0.0 110.946 -178.194 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 31.1 p 59.06 -7.2 0.05 OUTLIER 'General case' 0 N--CA 1.468 0.466 0 C-N-CA 127.125 2.17 . . . . 0.0 115.094 179.167 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 70.6 mt -79.63 -25.57 41.38 Favored 'General case' 0 N--CA 1.452 -0.33 0 CA-C-N 118.25 0.477 . . . . 0.0 111.661 175.862 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 49.3 t -119.68 -23.35 3.46 Favored 'Isoleucine or valine' 0 CA--C 1.531 0.237 0 C-N-CA 122.828 0.451 . . . . 0.0 111.627 -177.763 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 48.3 t -103.29 142.15 17.71 Favored 'Isoleucine or valine' 0 C--O 1.232 0.138 0 CA-C-N 118.107 0.412 . . . . 0.0 109.93 178.341 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 2.3 mptp? -134.45 172.95 12.19 Favored 'General case' 0 C--N 1.339 0.133 0 C-N-CA 123.66 0.784 . . . . 0.0 109.9 -178.51 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 11.3 ptmt -65.45 -6.47 10.55 Favored 'General case' 0 C--O 1.226 -0.158 0 C-N-CA 124.029 0.932 . . . . 0.0 112.102 179.586 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 36.6 m -98.0 -0.45 44.66 Favored 'General case' 0 CA--C 1.531 0.225 0 C-N-CA 123.566 0.746 . . . . 0.0 110.774 175.232 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 23.1 m-20 -115.54 -33.92 5.06 Favored 'General case' 0 N--CA 1.453 -0.314 0 C-N-CA 124.096 0.959 . . . . 0.0 110.659 179.89 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 75.0 t -62.72 -32.86 57.1 Favored 'Isoleucine or valine' 0 CA--C 1.528 0.124 0 N-CA-C 109.318 -0.623 . . . . 0.0 109.318 178.199 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 19.9 pt-20 -78.62 7.77 6.32 Favored 'General case' 0 CA--C 1.53 0.183 0 N-CA-C 112.033 0.383 . . . . 0.0 112.033 178.301 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -126.53 -7.52 6.3 Favored 'General case' 0 CA--C 1.532 0.259 0 C-N-CA 123.275 0.63 . . . . 0.0 111.007 176.919 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 80.5 mt -110.57 -26.92 2.99 Favored 'Isoleucine or valine' 0 CA--C 1.528 0.117 0 C-N-CA 123.071 0.548 . . . . 0.0 110.861 179.409 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 37' ' ' PHE . . . . . . . . . . . . . 67.2 m-85 -105.71 -5.88 19.59 Favored 'General case' 0 N--CA 1.455 -0.209 0 C-N-CA 122.492 0.317 . . . . 0.0 110.977 179.955 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 68.2 p -75.69 -14.37 60.35 Favored 'General case' 0 CA--C 1.524 -0.055 0 C-N-CA 122.621 0.369 . . . . 0.0 111.463 179.505 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 18.7 ptmt -81.69 -10.97 59.25 Favored 'General case' 0 CA--C 1.531 0.212 0 C-N-CA 123.022 0.529 . . . . 0.0 112.299 179.399 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 40' ' ' TYR . . . . . . . . . . . . . 68.9 m-85 -106.95 -14.38 14.97 Favored 'General case' 0 C--N 1.338 0.108 0 CA-C-N 117.867 0.303 . . . . 0.0 111.432 178.194 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -176.56 163.63 32.86 Favored Glycine 0 CA--C 1.523 0.573 0 N-CA-C 111.914 -0.475 . . . . 0.0 111.914 174.865 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 78.0 tttt -74.24 112.96 10.9 Favored 'General case' 0 N--CA 1.454 -0.26 0 N-CA-C 108.71 -0.848 . . . . 0.0 108.71 177.99 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 43' ' ' ILE . . . . . . . . . . . . . 74.4 mt -81.89 130.08 36.4 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.354 0 N-CA-C 109.545 -0.539 . . . . 0.0 109.545 -179.223 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 34.0 m -108.87 -8.42 11.19 Favored 'Isoleucine or valine' 0 C--O 1.228 -0.043 0 C-N-CA 123.3 0.64 . . . . 0.0 110.622 178.549 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . -169.63 148.65 12.16 Favored Glycine 0 CA--C 1.524 0.626 0 N-CA-C 109.85 -1.3 . . . . 0.0 109.85 177.621 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 46' ' ' CYS . . . . . . . . . . . . . 26.4 p -153.14 152.47 31.31 Favored 'General case' 0 N--CA 1.449 -0.48 0 CA-C-N 116.95 0.375 . . . . 0.0 110.042 179.913 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 96.4 p -155.54 149.81 25.84 Favored 'General case' 0 N--CA 1.454 -0.272 0 CA-C-O 120.957 0.408 . . . . 0.0 110.102 177.187 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 48' ' ' VAL . . . . . . . . . . . . . 98.6 t -125.94 146.36 31.85 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.235 0 N-CA-C 108.947 -0.76 . . . . 0.0 108.947 175.391 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 49' ' ' HIS . . . . . . . . . . . . . 51.4 m-70 -134.38 -166.06 1.75 Allowed 'General case' 0 N--CA 1.446 -0.635 0 C-N-CA 124.298 1.039 . . . . 0.0 108.39 -176.619 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 75.5 mmtt -87.74 116.62 26.02 Favored 'General case' 0 N--CA 1.457 -0.112 0 O-C-N 122.002 -0.436 . . . . 0.0 109.904 176.26 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 81.4 -7.84 60.05 Favored Glycine 0 CA--C 1.531 1.048 0 CA-C-O 119.107 -0.829 . . . . 0.0 113.77 178.238 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 44.1 p90 -152.82 171.95 17.47 Favored 'General case' 0 CA--C 1.528 0.111 0 CA-C-N 119.058 1.429 . . . . 0.0 111.703 178.543 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -150.63 172.55 15.35 Favored 'General case' 0 N--CA 1.453 -0.286 0 C-N-CA 124.092 0.957 . . . . 0.0 110.214 177.479 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 54' ' ' PHE . . . . . . . . . . . . . 12.2 m-85 -140.05 147.6 40.56 Favored 'General case' 0 N--CA 1.454 -0.258 0 C-N-CA 123.777 0.831 . . . . 0.0 110.702 178.852 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 93.9 t -135.51 138.3 48.41 Favored 'Isoleucine or valine' 0 CA--C 1.517 -0.315 0 C-N-CA 123.665 0.786 . . . . 0.0 109.368 177.55 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 56' ' ' GLN . . . . . . . . . . . . . 62.9 tp60 -117.99 129.58 55.67 Favored 'General case' 0 N--CA 1.451 -0.408 0 N-CA-C 109.381 -0.6 . . . . 0.0 109.381 -177.572 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 57' ' ' TYR . . . . . . . . . . . . . 44.2 m-85 -112.43 176.11 5.15 Favored 'General case' 0 N--CA 1.455 -0.176 0 C-N-CA 123.426 0.69 . . . . 0.0 111.043 -179.976 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 58' ' ' VAL . . . . . . . . . . . . . 77.5 t -72.32 -31.34 38.44 Favored 'Isoleucine or valine' 0 CA--C 1.528 0.112 0 CA-C-N 116.36 -0.382 . . . . 0.0 110.273 178.539 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 59' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -155.33 168.68 26.29 Favored 'General case' 0 N--CA 1.453 -0.294 0 N-CA-C 112.108 0.41 . . . . 0.0 112.108 178.734 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 84.9 tt0 -59.01 -30.94 68.37 Favored 'General case' 0 CA--C 1.53 0.175 0 C-N-CA 123.75 0.82 . . . . 0.0 112.321 -178.184 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 23.0 tpt180 -59.11 -39.32 81.91 Favored 'General case' 0 CA--C 1.52 -0.193 0 CA-C-N 119.064 0.847 . . . . 0.0 110.067 179.619 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 62' ' ' ASN . . . . . . . . . . . . . 19.5 m120 -71.22 -25.72 62.62 Favored 'General case' 0 N--CA 1.448 -0.564 0 C-N-CA 120.943 -0.303 . . . . 0.0 110.904 -179.481 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -74.82 -38.01 62.17 Favored 'General case' 0 N--CA 1.451 -0.414 0 N-CA-C 110.439 -0.208 . . . . 0.0 110.439 177.778 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 64' ' ' ARG . . . . . . . . . . . . . 36.8 mmt180 -68.57 -26.15 65.26 Favored 'General case' 0 C--N 1.337 0.05 0 O-C-N 122.405 -0.184 . . . . 0.0 110.737 179.141 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -80.27 -32.39 38.24 Favored 'General case' 0 N--CA 1.455 -0.186 0 CA-C-N 117.512 0.142 . . . . 0.0 111.06 -179.616 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -81.71 -35.08 30.2 Favored 'General case' 0 N--CA 1.451 -0.39 0 O-C-N 122.435 -0.166 . . . . 0.0 111.082 179.015 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 67' ' ' VAL . . . . . . . . . . . . . 44.3 t -65.04 -34.2 68.97 Favored 'Isoleucine or valine' 0 C--O 1.227 -0.128 0 N-CA-C 110.022 -0.362 . . . . 0.0 110.022 175.604 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -91.14 -10.66 41.05 Favored 'General case' 0 N--CA 1.457 -0.121 0 N-CA-C 112.03 0.381 . . . . 0.0 112.03 178.585 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . -101.77 -13.91 30.86 Favored Glycine 0 CA--C 1.529 0.96 0 CA-C-O 119.263 -0.743 . . . . 0.0 113.878 -178.032 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 45.5 mm-40 -133.08 -20.69 2.15 Favored 'General case' 0 N--CA 1.464 0.257 0 CA-C-N 118.714 1.257 . . . . 0.0 112.476 -173.683 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 19.5 t0 -61.74 117.88 6.41 Favored 'General case' 0 N--CA 1.454 -0.249 0 CA-C-N 119.185 0.902 . . . . 0.0 110.192 178.816 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . 87.62 9.88 71.2 Favored Glycine 0 CA--C 1.523 0.54 0 N-CA-C 110.96 -0.856 . . . . 0.0 110.96 179.523 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 73' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -75.38 169.8 17.35 Favored 'General case' 0 N--CA 1.453 -0.279 0 N-CA-C 106.289 -1.745 . . . . 0.0 106.289 171.727 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 74' ' ' MET . . . . . . . . . . . . . 33.3 ttm -115.3 120.57 40.09 Favored 'General case' 0 N--CA 1.448 -0.526 0 N-CA-C 109.139 -0.689 . . . . 0.0 109.139 -176.945 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 75' ' ' ILE . . . . . . . . . . . . . 0.2 OUTLIER -127.76 135.68 62.41 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.317 0 CA-C-N 115.975 -0.557 . . . . 0.0 109.541 179.437 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . 54.54 17.44 1.64 Allowed 'General case' 0 CA--C 1.536 0.412 0 C-N-CA 123.181 0.592 . . . . 0.0 112.291 -174.391 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 89.92 4.4 72.32 Favored Glycine 0 CA--C 1.527 0.794 0 CA-C-O 119.647 -0.529 . . . . 0.0 112.072 -179.476 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 78' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -124.7 131.94 53.42 Favored 'General case' 0 N--CA 1.449 -0.508 0 CA-C-N 117.775 0.788 . . . . 0.0 110.335 -179.726 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 79' ' ' VAL . . . . . . . . . . . . . 48.5 t -63.93 140.7 19.25 Favored 'Isoleucine or valine' 0 CA--C 1.522 -0.101 0 C-N-CA 124.372 1.069 . . . . 0.0 110.323 -178.733 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 30.6 mt -94.73 156.48 16.37 Favored 'General case' 0 C--O 1.23 0.071 0 CA-C-O 120.853 0.358 . . . . 0.0 111.347 177.433 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 81' ' ' ASP . . . . . . . . . . . . . 36.1 t70 -122.52 98.25 5.83 Favored 'General case' 0 N--CA 1.452 -0.374 0 N-CA-C 108.193 -1.04 . . . . 0.0 108.193 176.306 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 82' ' ' ILE . . . . . . . . . . . . . 64.2 mt -115.31 139.88 39.51 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.23 0 C-N-CA 122.947 0.499 . . . . 0.0 110.566 -170.015 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 83' ' ' ASN . . . . . . . . . . . . . 1.9 p-10 -157.8 165.45 35.29 Favored 'General case' 0 N--CA 1.452 -0.338 0 CA-C-O 121.085 0.469 . . . . 0.0 111.597 -179.624 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 84' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -61.69 130.74 47.28 Favored 'General case' 0 N--CA 1.452 -0.345 0 C-N-CA 124.049 0.94 . . . . 0.0 108.754 175.398 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . -65.32 0.01 1.62 Allowed 'General case' 0 CA--C 1.532 0.266 0 N-CA-C 114.142 1.164 . . . . 0.0 114.142 -174.544 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . -131.25 -0.8 4.04 Favored 'General case' 0 N--CA 1.454 -0.227 0 CA-C-N 118.708 0.685 . . . . 0.0 111.607 178.491 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 84.9 mt-10 -142.45 68.76 21.01 Favored Pre-proline 0 N--CA 1.454 -0.241 0 N-CA-C 108.708 -0.849 . . . . 0.0 108.708 177.854 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 88' ' ' PRO . . . . . . . . . . . . . 36.8 Cg_endo -60.09 141.6 96.56 Favored 'Trans proline' 0 N--CA 1.451 -0.997 0 C-N-CA 122.885 2.39 . . . . 0.0 108.864 178.586 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 89' ' ' LYS . . . . . 0.498 ' HG3' ' H ' ' A' ' 90' ' ' VAL . 14.2 ptpt -50.91 -69.49 0.11 Allowed 'General case' 0 CA--C 1.527 0.089 0 N-CA-C 112.847 0.684 . . . . 0.0 112.847 -170.498 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 90' ' ' VAL . . . . . 0.498 ' H ' ' HG3' ' A' ' 89' ' ' LYS . 99.8 t -149.37 -37.93 0.09 OUTLIER 'Isoleucine or valine' 0 N--CA 1.457 -0.102 0 C-N-CA 122.882 0.473 . . . . 0.0 110.183 178.931 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 91' ' ' ASN . . . . . . . . . . . . . 68.3 m-80 -133.28 166.09 23.31 Favored 'General case' 0 N--CA 1.452 -0.371 0 CA-C-O 121.491 0.662 . . . . 0.0 111.589 -175.443 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 92' ' ' ARG . . . . . . . . . . . . . 34.3 ttt180 -139.28 94.94 2.86 Favored 'General case' 0 N--CA 1.455 -0.199 0 N-CA-C 105.535 -2.024 . . . . 0.0 105.535 172.31 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . -90.42 -150.82 24.84 Favored Glycine 0 CA--C 1.522 0.488 0 N-CA-C 111.833 -0.507 . . . . 0.0 111.833 -176.103 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 57.1 tttp -135.03 -13.91 2.1 Favored 'General case' 0 N--CA 1.454 -0.243 0 C-N-CA 122.873 0.469 . . . . 0.0 111.856 179.986 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . -151.43 165.98 32.46 Favored 'General case' 0 N--CA 1.453 -0.291 0 C-N-CA 122.812 0.445 . . . . 0.0 110.538 -177.674 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . -75.99 -14.66 82.01 Favored Glycine 0 CA--C 1.527 0.835 0 CA-C-O 119.749 -0.473 . . . . 0.0 112.178 179.207 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 97' ' ' VAL . . . . . . . . . . . . . 10.9 p -89.29 131.25 37.06 Favored 'Isoleucine or valine' 0 N--CA 1.456 -0.137 0 CA-C-N 117.739 0.769 . . . . 0.0 109.169 177.375 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 98' ' ' LYS . . . . . . . . . . . . . 60.2 mttm -132.57 19.11 4.29 Favored 'General case' 0 C--O 1.231 0.082 0 C-N-CA 123.147 0.579 . . . . 0.0 111.261 -175.206 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 99' ' ' ARG . . . . . . . . . . . . . 60.4 mtt-85 -133.35 173.74 11.14 Favored 'General case' 0 N--CA 1.454 -0.265 0 C-N-CA 124.48 1.112 . . . . 0.0 111.095 -177.891 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 68.8 m -69.51 -13.86 62.56 Favored 'General case' 0 N--CA 1.452 -0.351 0 C-N-CA 123.125 0.57 . . . . 0.0 111.316 177.997 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 101' ' ' ALA . . . . . . . . . . . . . . . 51.88 18.4 0.78 Allowed 'General case' 0 CA--C 1.532 0.263 0 C-N-CA 124.138 0.975 . . . . 0.0 112.291 -175.777 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -152.57 4.27 0.36 Allowed 'General case' 0 N--CA 1.453 -0.282 0 C-N-CA 123.205 0.602 . . . . 0.0 112.132 -176.55 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 2.5 pm0 -74.45 -4.27 35.64 Favored 'General case' 0 CA--C 1.531 0.249 0 O-C-N 121.809 -0.557 . . . . 0.0 112.241 -176.783 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 104' ' ' MET . . . . . . . . . . . . . 75.2 mtm -111.15 12.35 21.88 Favored 'General case' 0 CA--C 1.531 0.223 0 C-N-CA 123.683 0.793 . . . . 0.0 111.225 179.179 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 105' ' ' TYR . . . . . . . . . . . . . 70.6 m-85 -127.11 2.03 6.48 Favored 'General case' 0 CA--C 1.532 0.257 0 C-N-CA 122.786 0.434 . . . . 0.0 111.546 -178.106 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 106' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--N 1.339 0.706 0 N-CA-C 111.2 -0.76 . . . . 0.0 111.2 179.411 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' B' B ' 1' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.42 -2.77 0 O4'-C1'-N19 110.559 2.359 . 0.0 '__' . 0.0 . . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' B' B ' 2' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.425 -2.355 1 O4'-C1'-N19 112.487 4.287 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 3' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.419 -2.85 0 O4'-C1'-N19 111.181 2.981 . 0.501 0b . 0.0 . . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' B' B ' 4' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.423 -2.536 1 O4'-C1'-N19 113.078 4.878 . 0.147 4b . 0.0 . . . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 5' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.422 -2.597 0 C5'-C4'-C3' 110.46 -3.36 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.476 0.856 0 CA-C-O 120.171 0.034 . . . . 0.0 110.94 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 60.6 m -74.5 162.02 29.21 Favored 'General case' 0 C--N 1.338 0.069 0 C-N-CA 122.514 0.326 . . . . 0.0 110.549 178.619 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 4' ' ' ASN . . . . . . . . . . . . . 2.7 p-10 -87.47 6.2 35.21 Favored 'General case' 0 CA--C 1.532 0.26 0 C-N-CA 122.747 0.419 . . . . 0.0 111.912 179.976 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 92.5 t -101.91 133.84 44.21 Favored 'Isoleucine or valine' 0 N--CA 1.457 -0.085 0 C-N-CA 123.203 0.601 . . . . 0.0 110.903 -176.238 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 47.1 p -147.75 11.49 0.97 Allowed 'General case' 0 CA--C 1.531 0.219 0 C-N-CA 123.401 0.68 . . . . 0.0 112.11 179.956 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 7' ' ' ASN . . . . . . . . . . . . . 64.3 t-20 -120.83 108.18 13.63 Favored 'General case' 0 CA--C 1.532 0.256 0 CA-C-N 119.436 1.017 . . . . 0.0 111.811 -178.742 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 56.8 mtmt -148.82 164.24 35.03 Favored 'General case' 0 C--O 1.231 0.088 0 C-N-CA 125.885 1.674 . . . . 0.0 107.709 173.922 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 80.9 p -125.85 22.36 7.45 Favored 'General case' 0 N--CA 1.465 0.314 0 N-CA-C 112.714 0.635 . . . . 0.0 112.714 -176.611 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 25.0 m-20 -65.91 150.9 96.0 Favored Pre-proline 0 CA--C 1.531 0.239 0 O-C-N 122.096 -0.378 . . . . 0.0 110.171 177.208 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 11' ' ' PRO . . . . . . . . . . . . . 57.1 Cg_endo -65.49 -2.77 6.62 Favored 'Trans proline' 0 N--CA 1.456 -0.733 0 C-N-CA 124.102 3.201 . . . . 0.0 113.514 -174.219 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 4.4 tmm_? -132.24 -31.29 1.45 Allowed 'General case' 0 N--CA 1.456 -0.17 0 CA-C-N 118.28 0.491 . . . . 0.0 110.685 179.88 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 20.2 m -72.57 -28.74 63.0 Favored 'General case' 0 N--CA 1.456 -0.156 0 CA-C-O 119.211 -0.423 . . . . 0.0 111.085 -178.4 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 14' ' ' MET . . . . . . . . . . . . . 13.9 ptm -87.17 -3.72 59.07 Favored 'General case' 0 N--CA 1.454 -0.256 0 CA-C-N 118.718 0.69 . . . . 0.0 112.112 178.589 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 59.1 m-80 -102.41 -21.11 14.32 Favored 'General case' 0 CA--C 1.528 0.128 0 C-N-CA 123.018 0.527 . . . . 0.0 109.973 174.127 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 16.3 m -83.87 13.62 4.73 Favored 'General case' 0 N--CA 1.456 -0.144 0 C-N-CA 123.624 0.769 . . . . 0.0 110.682 171.66 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 36.4 ttm180 -113.18 155.39 25.1 Favored 'General case' 0 N--CA 1.452 -0.339 0 C-N-CA 124.714 1.206 . . . . 0.0 109.898 -176.961 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 74.6 t -130.28 131.9 65.3 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.447 0 CA-C-O 120.785 0.326 . . . . 0.0 110.262 178.874 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 26.0 t80 -90.76 133.62 35.04 Favored 'General case' 0 N--CA 1.451 -0.413 0 C-N-CA 123.625 0.77 . . . . 0.0 108.993 174.265 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 59.5 mt -121.21 84.05 0.83 Allowed 'Isoleucine or valine' 0 N--CA 1.456 -0.152 0 N-CA-C 107.765 -1.198 . . . . 0.0 107.765 179.445 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -84.0 173.3 50.42 Favored Glycine 0 CA--C 1.525 0.704 0 N-CA-C 110.75 -0.94 . . . . 0.0 110.75 178.398 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 22' ' ' ASN . . . . . 0.408 ' HB2' ' C4 ' ' B' ' 1' ' ' ' U' . 61.1 t30 49.88 46.53 24.11 Favored 'General case' 0 N--CA 1.453 -0.275 0 C-N-CA 123.001 0.521 . . . . 0.0 110.8 -179.02 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 56.3 tp -98.46 143.9 28.39 Favored 'General case' 0 N--CA 1.454 -0.238 0 N-CA-C 109.418 -0.586 . . . . 0.0 109.418 179.25 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 64.1 t30 -68.84 -36.12 77.78 Favored 'General case' 0 CA--C 1.529 0.168 0 C-N-CA 121.158 -0.217 . . . . 0.0 111.158 -177.148 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 56.2 p 52.68 3.8 0.03 OUTLIER 'General case' 0 N--CA 1.466 0.328 0 C-N-CA 126.592 1.957 . . . . 0.0 115.036 178.645 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 7.0 mp -97.55 -16.28 20.14 Favored 'General case' 0 CA--C 1.531 0.225 0 C-N-CA 123.364 0.666 . . . . 0.0 111.043 176.961 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 58.8 t -125.68 -20.56 2.61 Favored 'Isoleucine or valine' 0 C--O 1.227 -0.089 0 C-N-CA 122.502 0.321 . . . . 0.0 110.564 179.676 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 52.0 t -106.8 141.73 21.33 Favored 'Isoleucine or valine' 0 C--N 1.338 0.073 0 N-CA-C 110.144 -0.317 . . . . 0.0 110.144 177.292 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 2.3 mptp? -134.23 173.44 11.6 Favored 'General case' 0 N--CA 1.456 -0.135 0 C-N-CA 123.673 0.789 . . . . 0.0 109.973 -179.783 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 9.4 ptmt -67.42 -4.1 10.24 Favored 'General case' 0 CA--C 1.528 0.124 0 C-N-CA 123.56 0.744 . . . . 0.0 111.926 179.314 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 39.6 m -97.84 -0.2 45.57 Favored 'General case' 0 CA--C 1.532 0.278 0 C-N-CA 123.648 0.779 . . . . 0.0 110.709 173.819 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 26.8 m-20 -117.21 -33.12 4.77 Favored 'General case' 0 N--CA 1.453 -0.288 0 C-N-CA 124.016 0.926 . . . . 0.0 110.691 -179.248 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 79.2 t -63.05 -31.57 53.09 Favored 'Isoleucine or valine' 0 C--O 1.231 0.083 0 O-C-N 121.799 -0.563 . . . . 0.0 109.569 178.193 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 19.4 pt-20 -78.84 7.04 7.74 Favored 'General case' 0 CA--C 1.53 0.183 0 N-CA-C 111.99 0.367 . . . . 0.0 111.99 178.198 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -126.54 -7.69 6.29 Favored 'General case' 0 N--CA 1.453 -0.275 0 C-N-CA 123.096 0.558 . . . . 0.0 111.382 177.235 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 74.7 mt -109.89 -28.81 2.58 Favored 'Isoleucine or valine' 0 CA--C 1.527 0.083 0 C-N-CA 122.824 0.449 . . . . 0.0 110.811 178.912 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 37' ' ' PHE . . . . . . . . . . . . . 61.3 m-85 -102.17 -9.2 20.69 Favored 'General case' 0 N--CA 1.455 -0.206 0 C-N-CA 122.46 0.304 . . . . 0.0 110.83 179.784 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 66.2 p -72.22 -14.61 61.83 Favored 'General case' 0 C--O 1.231 0.129 0 C-N-CA 122.584 0.354 . . . . 0.0 111.643 -178.801 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 12.8 ptmm? -82.88 -10.0 59.04 Favored 'General case' 0 N--CA 1.455 -0.216 0 C-N-CA 123.202 0.601 . . . . 0.0 112.231 178.91 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 40' ' ' TYR . . . . . . . . . . . . . 86.7 m-85 -106.58 -14.88 14.92 Favored 'General case' 0 C--N 1.339 0.14 0 C-N-CA 122.55 0.34 . . . . 0.0 111.332 177.894 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -176.63 162.09 30.44 Favored Glycine 0 CA--C 1.524 0.622 0 N-CA-C 111.807 -0.517 . . . . 0.0 111.807 174.545 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 79.1 tttt -73.5 113.19 10.32 Favored 'General case' 0 N--CA 1.453 -0.324 0 N-CA-C 108.892 -0.781 . . . . 0.0 108.892 177.742 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 43' ' ' ILE . . . . . . . . . . . . . 73.9 mt -83.05 131.1 34.54 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.395 0 N-CA-C 109.622 -0.51 . . . . 0.0 109.622 -177.983 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 33.4 m -109.2 -8.98 11.32 Favored 'Isoleucine or valine' 0 CA--C 1.527 0.082 0 C-N-CA 123.132 0.573 . . . . 0.0 110.604 178.419 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . -169.01 147.1 10.82 Favored Glycine 0 CA--C 1.525 0.665 0 N-CA-C 109.798 -1.321 . . . . 0.0 109.798 177.635 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 46' ' ' CYS . . . . . . . . . . . . . 27.2 p -152.37 152.96 32.7 Favored 'General case' 0 N--CA 1.451 -0.384 0 N-CA-C 109.817 -0.438 . . . . 0.0 109.817 179.171 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 21.9 t -157.01 151.74 25.71 Favored 'General case' 0 N--CA 1.451 -0.418 0 N-CA-C 110.114 -0.328 . . . . 0.0 110.114 177.009 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 48' ' ' VAL . . . . . . . . . . . . . 98.1 t -127.82 146.51 33.34 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.303 0 N-CA-C 109.127 -0.694 . . . . 0.0 109.127 176.947 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 49' ' ' HIS . . . . . . . . . . . . . 48.6 m-70 -133.47 -163.26 1.33 Allowed 'General case' 0 N--CA 1.451 -0.406 0 N-CA-C 107.7 -1.222 . . . . 0.0 107.7 -176.704 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 57.7 mtpt -91.56 121.12 32.95 Favored 'General case' 0 N--CA 1.454 -0.257 0 CA-C-N 118.312 0.506 . . . . 0.0 109.762 175.1 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 78.87 -9.36 38.19 Favored Glycine 0 CA--C 1.531 1.046 0 CA-C-O 119.182 -0.788 . . . . 0.0 113.558 178.867 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 50.1 p90 -151.58 170.25 20.13 Favored 'General case' 0 C--O 1.231 0.096 0 CA-C-N 119.01 1.405 . . . . 0.0 111.866 178.341 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -149.69 172.0 15.79 Favored 'General case' 0 N--CA 1.452 -0.356 0 C-N-CA 124.304 1.042 . . . . 0.0 110.188 176.72 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 54' ' ' PHE . . . . . . . . . . . . . 17.2 m-85 -139.99 149.17 42.91 Favored 'General case' 0 N--CA 1.454 -0.241 0 C-N-CA 123.516 0.726 . . . . 0.0 110.901 -179.829 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 92.2 t -136.88 146.33 28.57 Favored 'Isoleucine or valine' 0 CA--C 1.518 -0.261 0 C-N-CA 123.853 0.861 . . . . 0.0 108.926 177.532 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 56' ' ' GLN . . . . . . . . . . . . . 67.9 tp60 -126.45 133.27 51.26 Favored 'General case' 0 N--CA 1.45 -0.445 0 N-CA-C 109.161 -0.681 . . . . 0.0 109.161 -179.82 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 57' ' ' TYR . . . . . . . . . . . . . 51.6 m-85 -115.51 175.42 5.53 Favored 'General case' 0 N--CA 1.454 -0.27 0 C-N-CA 123.609 0.764 . . . . 0.0 110.853 -179.054 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 58' ' ' VAL . . . . . . . . . . . . . 77.0 t -71.07 -30.04 39.37 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.276 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.297 179.399 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 59' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -157.55 168.48 27.17 Favored 'General case' 0 N--CA 1.454 -0.236 0 CA-C-O 120.798 0.332 . . . . 0.0 111.879 177.202 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 65.0 tt0 -57.12 -31.74 65.61 Favored 'General case' 0 N--CA 1.455 -0.188 0 C-N-CA 123.578 0.751 . . . . 0.0 112.559 -178.802 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 25.5 tpt180 -58.55 -40.05 81.93 Favored 'General case' 0 N--CA 1.462 0.17 0 CA-C-N 118.965 0.802 . . . . 0.0 110.042 -179.506 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 62' ' ' ASN . . . . . . . . . . . . . 18.8 m120 -71.16 -25.04 62.38 Favored 'General case' 0 N--CA 1.45 -0.442 0 C-N-CA 120.704 -0.398 . . . . 0.0 110.73 -179.349 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -76.18 -36.69 58.57 Favored 'General case' 0 N--CA 1.454 -0.262 0 O-C-N 122.291 -0.256 . . . . 0.0 110.377 177.785 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 64' ' ' ARG . . . . . . . . . . . . . 41.4 mmt180 -68.01 -26.42 65.89 Favored 'General case' 0 N--CA 1.462 0.137 0 N-CA-C 110.33 -0.248 . . . . 0.0 110.33 178.132 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -80.36 -33.21 37.44 Favored 'General case' 0 N--CA 1.452 -0.341 0 C-N-CA 121.921 0.088 . . . . 0.0 110.796 -178.468 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -80.64 -35.78 33.47 Favored 'General case' 0 N--CA 1.453 -0.317 0 O-C-N 122.277 -0.265 . . . . 0.0 111.225 178.415 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 67' ' ' VAL . . . . . . . . . . . . . 44.0 t -63.99 -33.66 63.61 Favored 'Isoleucine or valine' 0 C--O 1.226 -0.134 0 N-CA-C 109.879 -0.415 . . . . 0.0 109.879 175.646 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -91.53 -9.89 42.69 Favored 'General case' 0 N--CA 1.452 -0.362 0 O-C-N 121.973 -0.454 . . . . 0.0 112.117 178.09 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . -102.53 -14.35 27.9 Favored Glycine 0 CA--C 1.531 1.039 0 CA-C-O 119.05 -0.861 . . . . 0.0 113.749 -177.158 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 70' ' ' GLU . . . . . 0.4 ' CD ' ' HE ' ' A' ' 73' ' ' ARG . 24.7 mm-40 -133.26 -19.6 2.18 Favored 'General case' 0 N--CA 1.462 0.131 0 CA-C-N 118.803 1.302 . . . . 0.0 112.816 -174.041 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 19.4 t0 -62.34 117.05 5.6 Favored 'General case' 0 N--CA 1.455 -0.194 0 O-C-N 121.146 -0.971 . . . . 0.0 110.042 179.055 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . 87.79 10.22 70.13 Favored Glycine 0 C--N 1.339 0.696 0 N-CA-C 111.103 -0.799 . . . . 0.0 111.103 179.553 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 73' ' ' ARG . . . . . 0.4 ' HE ' ' CD ' ' A' ' 70' ' ' GLU . 0.1 OUTLIER -76.32 168.67 19.64 Favored 'General case' 0 N--CA 1.453 -0.319 0 N-CA-C 106.543 -1.651 . . . . 0.0 106.543 171.681 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 74' ' ' MET . . . . . . . . . . . . . 32.5 ttm -113.65 122.35 46.92 Favored 'General case' 0 N--CA 1.451 -0.421 0 N-CA-C 109.178 -0.675 . . . . 0.0 109.178 -176.73 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 75' ' ' ILE . . . . . . . . . . . . . 0.3 OUTLIER -130.18 136.26 59.07 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.331 0 CA-C-N 115.838 -0.619 . . . . 0.0 109.538 179.605 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . 54.49 18.05 1.83 Allowed 'General case' 0 CA--C 1.533 0.314 0 C-N-CA 123.186 0.595 . . . . 0.0 112.117 -174.271 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 88.71 4.33 76.1 Favored Glycine 0 CA--C 1.528 0.846 0 CA-C-O 119.68 -0.511 . . . . 0.0 112.435 -178.852 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 78' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -125.08 132.69 53.12 Favored 'General case' 0 N--CA 1.45 -0.457 0 CA-C-N 117.783 0.792 . . . . 0.0 110.313 -179.354 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 79' ' ' VAL . . . . . . . . . . . . . 49.1 t -64.23 141.29 18.38 Favored 'Isoleucine or valine' 0 N--CA 1.46 0.073 0 C-N-CA 124.248 1.019 . . . . 0.0 110.585 -179.137 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 30.6 mt -95.15 158.13 15.59 Favored 'General case' 0 CA--C 1.523 -0.058 0 CA-C-O 120.756 0.313 . . . . 0.0 111.399 177.02 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 81' ' ' ASP . . . . . . . . . . . . . 25.5 t0 -123.12 100.94 7.12 Favored 'General case' 0 N--CA 1.453 -0.312 0 N-CA-C 108.041 -1.096 . . . . 0.0 108.041 175.219 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 82' ' ' ILE . . . . . . . . . . . . . 64.8 mt -117.11 138.97 46.04 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.226 0 C-N-CA 123.099 0.56 . . . . 0.0 110.713 -170.435 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 83' ' ' ASN . . . . . . . . . . . . . 2.0 p-10 -159.3 167.18 29.56 Favored 'General case' 0 N--CA 1.456 -0.159 0 C-N-CA 123.218 0.607 . . . . 0.0 109.711 177.821 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 84' ' ' LEU . . . . . . . . . . . . . 3.4 tp -59.78 140.1 56.8 Favored 'General case' 0 N--CA 1.452 -0.369 0 N-CA-C 109.587 -0.523 . . . . 0.0 109.587 176.968 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . -67.2 -1.41 4.41 Favored 'General case' 0 CA--C 1.531 0.227 0 N-CA-C 112.719 0.637 . . . . 0.0 112.719 -178.152 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . -126.68 7.08 6.81 Favored 'General case' 0 N--CA 1.455 -0.22 0 C-N-CA 122.8 0.44 . . . . 0.0 111.678 -179.82 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 93.2 mt-10 -138.46 66.4 43.31 Favored Pre-proline 0 CA--C 1.53 0.178 0 C-N-CA 122.763 0.425 . . . . 0.0 110.242 179.625 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 88' ' ' PRO . . . . . . . . . . . . . 44.5 Cg_endo -63.1 137.91 64.42 Favored 'Trans proline' 0 N--CA 1.448 -1.2 0 C-N-CA 122.361 2.04 . . . . 0.0 108.572 174.973 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 37.1 pttt -93.37 -105.65 0.12 Allowed 'General case' 0 N--CA 1.45 -0.434 0 CA-C-N 115.238 -0.892 . . . . 0.0 110.255 -175.514 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 90' ' ' VAL . . . . . . . . . . . . . 6.2 m -144.26 -18.45 0.17 Allowed 'Isoleucine or valine' 0 C--N 1.331 -0.202 0 C-N-CA 123.861 0.864 . . . . 0.0 112.273 -177.56 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 91' ' ' ASN . . . . . . . . . . . . . 46.8 m-80 -83.86 1.33 43.72 Favored 'General case' 0 CA--C 1.53 0.188 0 N-CA-C 113.199 0.815 . . . . 0.0 113.199 -177.179 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 92' ' ' ARG . . . . . . . . . . . . . 49.5 ttt180 -69.79 86.09 0.49 Allowed 'General case' 0 C--N 1.34 0.196 0 CA-C-N 119.489 1.04 . . . . 0.0 108.884 176.996 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . -104.46 -137.41 9.18 Favored Glycine 0 N--CA 1.447 -0.577 0 N-CA-C 108.677 -1.769 . . . . 0.0 108.677 176.819 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 45.3 mmtm -144.19 -0.25 1.01 Allowed 'General case' 0 C--O 1.231 0.092 0 N-CA-C 112.416 0.525 . . . . 0.0 112.416 -179.312 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . -150.45 159.44 44.47 Favored 'General case' 0 N--CA 1.453 -0.293 0 CA-C-N 118.101 0.41 . . . . 0.0 111.107 -177.62 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . -76.26 -10.28 85.49 Favored Glycine 0 CA--C 1.527 0.795 0 CA-C-O 119.71 -0.495 . . . . 0.0 111.954 179.034 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 97' ' ' VAL . . . . . . . . . . . . . 14.7 p -119.99 135.32 60.65 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.303 0 N-CA-C 109.063 -0.717 . . . . 0.0 109.063 174.71 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 98' ' ' LYS . . . . . . . . . . . . . 90.0 mttt -128.43 28.41 5.45 Favored 'General case' 0 C--N 1.332 -0.154 0 C-N-CA 123.832 0.853 . . . . 0.0 110.441 -176.125 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 99' ' ' ARG . . . . . 0.455 ' HG3' ' H ' ' A' ' 100' ' ' SER . 19.1 tpt180 -127.39 175.19 8.39 Favored 'General case' 0 CA--C 1.529 0.162 0 C-N-CA 124.262 1.025 . . . . 0.0 109.123 -178.749 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 100' ' ' SER . . . . . 0.455 ' H ' ' HG3' ' A' ' 99' ' ' ARG . 60.6 m -63.96 -12.97 42.43 Favored 'General case' 0 N--CA 1.456 -0.145 0 C-N-CA 123.336 0.655 . . . . 0.0 112.676 -178.576 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 101' ' ' ALA . . . . . . . . . . . . . . . 53.38 17.09 0.99 Allowed 'General case' 0 CA--C 1.534 0.355 0 C-N-CA 124.022 0.929 . . . . 0.0 112.281 -176.04 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -150.3 6.29 0.57 Allowed 'General case' 0 CA--C 1.532 0.273 0 C-N-CA 123.2 0.6 . . . . 0.0 111.628 -178.256 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 103' ' ' GLU . . . . . 0.607 ' CD ' ' H ' ' A' ' 103' ' ' GLU . 3.2 pm0 -66.49 -6.78 16.01 Favored 'General case' 0 N--CA 1.454 -0.265 0 C-N-CA 124.28 1.032 . . . . 0.0 113.293 -176.575 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 104' ' ' MET . . . . . . . . . . . . . 75.8 mtm -108.08 8.3 28.12 Favored 'General case' 0 N--CA 1.456 -0.149 0 C-N-CA 123.531 0.732 . . . . 0.0 111.182 177.7 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 105' ' ' TYR . . . . . . . . . . . . . 33.4 m-85 -132.88 0.94 3.56 Favored 'General case' 0 CA--C 1.533 0.324 0 C-N-CA 122.686 0.394 . . . . 0.0 111.85 -178.12 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 106' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.524 0.629 0 N-CA-C 111.097 -0.801 . . . . 0.0 111.097 -179.872 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' B' B ' 1' ' ' ' U' . . . . . 0.408 ' C4 ' ' HB2' ' A' ' 22' ' ' ASN . . . . . . . . 0 O4'--C4' 1.42 -2.723 0 O4'-C1'-N19 110.812 2.612 . 0.0 '__' . 0.0 . . . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 2' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.42 -2.79 1 O4'-C1'-N19 112.704 4.504 . 0.01 4b . 0.0 . . . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 3' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.418 -2.882 0 C5'-C4'-C3' 111.603 -2.598 . 0.079 0b . 0.0 . . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' B' B ' 4' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.419 -2.835 1 O4'-C1'-N19 112.25 4.05 . 0.054 4b . 0.0 . . . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 5' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.418 -2.885 1 O4'-C1'-N19 112.766 4.566 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.476 0.845 0 CA-C-O 120.381 0.134 . . . . 0.0 110.884 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 50.2 m -67.32 158.89 30.47 Favored 'General case' 0 CA--C 1.527 0.068 0 C-N-CA 122.673 0.389 . . . . 0.0 111.126 179.705 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 4' ' ' ASN . . . . . . . . . . . . . 2.7 p-10 -89.07 6.38 40.11 Favored 'General case' 0 CA--C 1.528 0.103 0 C-N-CA 122.861 0.464 . . . . 0.0 112.053 -179.725 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 94.6 t -100.03 134.49 39.38 Favored 'Isoleucine or valine' 0 N--CA 1.458 -0.059 0 C-N-CA 122.962 0.505 . . . . 0.0 110.528 -176.343 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 60.1 p -147.38 9.41 0.94 Allowed 'General case' 0 C--O 1.226 -0.133 0 C-N-CA 123.237 0.615 . . . . 0.0 112.241 -179.88 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 7' ' ' ASN . . . . . . . . . . . . . 63.3 t-20 -114.49 101.81 9.48 Favored 'General case' 0 N--CA 1.455 -0.219 0 CA-C-N 119.303 0.956 . . . . 0.0 111.151 -178.642 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 55.3 mtmt -144.5 145.19 31.73 Favored 'General case' 0 C--N 1.34 0.165 0 C-N-CA 124.808 1.243 . . . . 0.0 108.086 174.635 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 76.6 p -112.15 14.43 20.65 Favored 'General case' 0 C--O 1.232 0.147 0 N-CA-C 112.608 0.595 . . . . 0.0 112.608 -173.386 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 12.0 m-20 -65.98 151.46 95.21 Favored Pre-proline 0 N--CA 1.452 -0.363 0 O-C-N 121.983 -0.448 . . . . 0.0 109.919 178.175 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 11' ' ' PRO . . . . . . . . . . . . . 68.5 Cg_endo -67.21 1.31 3.04 Favored 'Trans proline' 0 N--CA 1.455 -0.78 0 C-N-CA 124.5 3.467 . . . . 0.0 112.842 -175.305 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -128.79 -23.76 3.06 Favored 'General case' 0 C--N 1.333 -0.115 0 CA-C-N 118.289 0.495 . . . . 0.0 110.91 176.846 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 47.4 m -84.44 -25.39 29.01 Favored 'General case' 0 C--O 1.226 -0.139 0 CA-C-O 119.291 -0.385 . . . . 0.0 111.232 -179.371 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 14' ' ' MET . . . . . . . . . . . . . 10.9 ptm -91.06 -6.7 53.44 Favored 'General case' 0 CA--C 1.53 0.19 0 CA-C-N 118.847 0.749 . . . . 0.0 111.535 177.364 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 15' ' ' ASN . . . . . 0.412 ' HA ' HD11 ' A' ' 84' ' ' LEU . 71.4 m-80 -100.5 -19.08 16.36 Favored 'General case' 0 CA--C 1.531 0.232 0 C-N-CA 122.671 0.389 . . . . 0.0 110.803 177.385 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 56.8 p -92.12 11.65 24.73 Favored 'General case' 0 CA--C 1.529 0.152 0 C-N-CA 123.498 0.719 . . . . 0.0 111.537 172.063 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 28.7 ttp-105 -107.62 151.94 24.96 Favored 'General case' 0 N--CA 1.457 -0.118 0 C-N-CA 123.758 0.823 . . . . 0.0 110.29 178.587 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 71.7 t -125.68 131.45 71.99 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.268 0 C-N-CA 122.947 0.499 . . . . 0.0 110.349 178.893 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 31.8 t80 -89.09 133.72 34.27 Favored 'General case' 0 N--CA 1.451 -0.381 0 CA-C-N 115.636 -0.711 . . . . 0.0 109.212 174.279 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 65.9 mt -120.72 85.41 0.92 Allowed 'Isoleucine or valine' 0 CA--C 1.521 -0.149 0 N-CA-C 108.112 -1.07 . . . . 0.0 108.112 178.572 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -84.34 173.45 49.93 Favored Glycine 0 CA--C 1.526 0.76 0 N-CA-C 110.668 -0.973 . . . . 0.0 110.668 178.269 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 58.7 t30 49.73 45.87 24.29 Favored 'General case' 0 CA--C 1.531 0.22 0 C-N-CA 123.106 0.562 . . . . 0.0 111.163 -178.855 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 49.2 tp -96.13 142.99 27.65 Favored 'General case' 0 CA--C 1.531 0.243 0 N-CA-C 109.419 -0.585 . . . . 0.0 109.419 179.299 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 65.0 t30 -67.88 -39.74 83.64 Favored 'General case' 0 CA--C 1.529 0.141 0 O-C-N 122.245 -0.285 . . . . 0.0 111.079 -177.973 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 42.4 p 55.57 -2.53 0.03 OUTLIER 'General case' 0 N--CA 1.465 0.313 0 C-N-CA 127.242 2.217 . . . . 0.0 115.362 178.845 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 64.5 mt -83.87 -23.61 31.21 Favored 'General case' 0 N--CA 1.453 -0.308 0 C-N-CA 123.115 0.566 . . . . 0.0 111.83 174.638 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 56.1 t -122.53 -23.67 2.68 Favored 'Isoleucine or valine' 0 N--CA 1.461 0.095 0 C-N-CA 122.444 0.298 . . . . 0.0 111.45 -178.341 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 59.5 t -103.58 136.25 37.36 Favored 'Isoleucine or valine' 0 CA--C 1.522 -0.13 0 N-CA-C 109.835 -0.432 . . . . 0.0 109.835 178.308 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 3.7 mppt? -129.42 173.7 10.31 Favored 'General case' 0 CA--C 1.523 -0.071 0 C-N-CA 123.305 0.642 . . . . 0.0 110.073 -177.863 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 9.1 ptmt -66.7 -3.34 6.38 Favored 'General case' 0 N--CA 1.464 0.246 0 C-N-CA 123.935 0.894 . . . . 0.0 112.117 -179.8 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 35.3 m -101.73 0.62 36.27 Favored 'General case' 0 N--CA 1.456 -0.174 0 C-N-CA 123.767 0.827 . . . . 0.0 110.837 174.415 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 37.1 m-20 -116.43 -34.37 4.62 Favored 'General case' 0 N--CA 1.453 -0.3 0 C-N-CA 123.941 0.896 . . . . 0.0 110.835 -179.624 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 33' ' ' VAL . . . . . 0.408 HG13 ' CD1' ' A' ' 37' ' ' PHE . 99.0 t -65.08 -31.38 53.69 Favored 'Isoleucine or valine' 0 N--CA 1.457 -0.12 0 N-CA-C 109.126 -0.694 . . . . 0.0 109.126 179.68 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 25.1 pt-20 -78.47 7.16 7.05 Favored 'General case' 0 CA--C 1.532 0.268 0 C-N-CA 122.476 0.31 . . . . 0.0 111.769 177.808 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -126.01 -8.02 6.59 Favored 'General case' 0 N--CA 1.455 -0.224 0 C-N-CA 123.213 0.605 . . . . 0.0 110.943 177.355 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 70.7 mt -108.92 -28.4 2.73 Favored 'Isoleucine or valine' 0 C--N 1.338 0.1 0 C-N-CA 122.988 0.515 . . . . 0.0 110.628 178.266 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 37' ' ' PHE . . . . . 0.408 ' CD1' HG13 ' A' ' 33' ' ' VAL . 56.5 m-85 -101.15 -9.03 21.7 Favored 'General case' 0 N--CA 1.454 -0.253 0 C-N-CA 122.756 0.423 . . . . 0.0 111.097 -179.964 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 66.9 p -71.95 -14.71 61.99 Favored 'General case' 0 C--N 1.338 0.079 0 C-N-CA 122.721 0.408 . . . . 0.0 111.675 -178.785 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 18.2 ptmt -82.91 -10.85 58.62 Favored 'General case' 0 CA--C 1.528 0.12 0 C-N-CA 123.327 0.651 . . . . 0.0 112.38 178.894 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 40' ' ' TYR . . . . . . . . . . . . . 79.6 m-85 -105.53 -14.6 15.24 Favored 'General case' 0 C--N 1.34 0.174 0 C-N-CA 122.467 0.307 . . . . 0.0 111.412 177.628 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -176.97 160.62 27.86 Favored Glycine 0 CA--C 1.522 0.499 0 N-CA-C 111.759 -0.537 . . . . 0.0 111.759 174.517 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 78.0 tttt -71.56 113.41 8.57 Favored 'General case' 0 N--CA 1.452 -0.336 0 N-CA-C 108.863 -0.791 . . . . 0.0 108.863 177.477 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 43' ' ' ILE . . . . . . . . . . . . . 77.6 mt -82.77 129.93 36.59 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.279 0 N-CA-C 109.635 -0.506 . . . . 0.0 109.635 -178.463 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 32.9 m -108.08 -6.42 10.73 Favored 'Isoleucine or valine' 0 CA--C 1.527 0.069 0 C-N-CA 123.294 0.637 . . . . 0.0 110.69 178.961 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . -171.32 146.13 9.33 Favored Glycine 0 CA--C 1.523 0.559 0 N-CA-C 110.051 -1.219 . . . . 0.0 110.051 177.202 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 46' ' ' CYS . . . . . . . . . . . . . 42.1 t -149.91 145.03 26.28 Favored 'General case' 0 N--CA 1.45 -0.435 0 CA-C-N 117.088 0.444 . . . . 0.0 110.125 -179.599 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 23.0 t -154.11 149.91 27.6 Favored 'General case' 0 N--CA 1.452 -0.33 0 N-CA-C 110.012 -0.366 . . . . 0.0 110.012 177.344 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 48' ' ' VAL . . . . . . . . . . . . . 92.7 t -125.74 149.8 30.72 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.368 0 N-CA-C 108.967 -0.753 . . . . 0.0 108.967 178.248 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 49' ' ' HIS . . . . . . . . . . . . . 51.5 m-70 -137.47 -170.25 2.7 Favored 'General case' 0 N--CA 1.449 -0.524 0 N-CA-C 107.912 -1.144 . . . . 0.0 107.912 -177.32 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 61.6 tttm -86.12 116.99 24.66 Favored 'General case' 0 N--CA 1.452 -0.348 0 O-C-N 121.763 -0.585 . . . . 0.0 110.281 179.623 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 80.73 -8.4 55.72 Favored Glycine 0 CA--C 1.533 1.179 0 CA-C-O 119.3 -0.722 . . . . 0.0 113.718 179.219 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 48.1 p90 -150.93 168.06 25.68 Favored 'General case' 0 CA--C 1.53 0.204 0 CA-C-N 118.73 1.265 . . . . 0.0 111.385 178.465 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -147.73 171.86 14.99 Favored 'General case' 0 N--CA 1.454 -0.263 0 C-N-CA 123.692 0.797 . . . . 0.0 110.486 176.715 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 54' ' ' PHE . . . . . . . . . . . . . 12.7 m-85 -139.72 143.54 37.07 Favored 'General case' 0 N--CA 1.454 -0.26 0 C-N-CA 123.702 0.801 . . . . 0.0 110.824 -179.849 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 92.3 t -135.65 136.38 50.49 Favored 'Isoleucine or valine' 0 CA--C 1.52 -0.188 0 C-N-CA 123.696 0.798 . . . . 0.0 109.296 178.709 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 56' ' ' GLN . . . . . . . . . . . . . 64.9 tp60 -115.75 134.19 55.27 Favored 'General case' 0 N--CA 1.449 -0.507 0 C-N-CA 123.167 0.587 . . . . 0.0 109.433 -177.551 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 57' ' ' TYR . . . . . . . . . . . . . 51.8 m-85 -115.81 177.3 4.72 Favored 'General case' 0 C--O 1.233 0.217 0 C-N-CA 123.181 0.592 . . . . 0.0 110.505 -179.663 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 58' ' ' VAL . . . . . . . . . . . . . 84.7 t -72.03 -30.29 36.02 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.226 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.056 178.462 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 59' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -158.21 168.71 26.3 Favored 'General case' 0 CA--C 1.53 0.192 0 CA-C-O 120.824 0.345 . . . . 0.0 111.856 177.808 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 73.3 tt0 -58.07 -30.71 66.42 Favored 'General case' 0 CA--C 1.53 0.177 0 C-N-CA 123.546 0.738 . . . . 0.0 112.536 -178.836 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 25.7 tpt180 -59.03 -39.14 81.03 Favored 'General case' 0 N--CA 1.457 -0.102 0 CA-C-N 119.228 0.922 . . . . 0.0 110.104 179.869 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 62' ' ' ASN . . . . . . . . . . . . . 18.9 m120 -72.52 -24.65 61.18 Favored 'General case' 0 N--CA 1.45 -0.469 0 C-N-CA 120.854 -0.338 . . . . 0.0 110.762 179.693 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -76.63 -36.89 57.15 Favored 'General case' 0 N--CA 1.451 -0.407 0 N-CA-C 110.308 -0.256 . . . . 0.0 110.308 178.114 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 64' ' ' ARG . . . . . . . . . . . . . 33.2 mmt180 -70.81 -24.1 62.49 Favored 'General case' 0 N--CA 1.456 -0.168 0 N-CA-C 110.316 -0.253 . . . . 0.0 110.316 178.669 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -80.43 -32.82 37.28 Favored 'General case' 0 N--CA 1.453 -0.288 0 N-CA-C 110.608 -0.145 . . . . 0.0 110.608 179.559 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -80.78 -35.0 33.72 Favored 'General case' 0 N--CA 1.45 -0.43 0 O-C-N 122.248 -0.283 . . . . 0.0 111.478 178.39 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 67' ' ' VAL . . . . . . . . . . . . . 45.9 t -64.97 -32.21 57.26 Favored 'Isoleucine or valine' 0 N--CA 1.457 -0.083 0 N-CA-C 109.851 -0.425 . . . . 0.0 109.851 174.906 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -92.73 -9.32 41.09 Favored 'General case' 0 CA--C 1.53 0.18 0 N-CA-C 112.128 0.418 . . . . 0.0 112.128 178.129 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . -103.91 -13.1 28.26 Favored Glycine 0 CA--C 1.53 1.02 0 CA-C-O 119.299 -0.723 . . . . 0.0 114.033 -177.251 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 23.6 mm-40 -134.37 -19.51 1.91 Allowed 'General case' 0 CA--C 1.528 0.124 0 CA-C-N 118.623 1.212 . . . . 0.0 112.633 -174.252 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 23.7 t0 -62.59 115.41 4.25 Favored 'General case' 0 N--CA 1.454 -0.24 0 O-C-N 121.215 -0.928 . . . . 0.0 110.119 178.683 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . 89.48 10.25 65.79 Favored Glycine 0 C--N 1.335 0.513 0 N-CA-C 111.057 -0.817 . . . . 0.0 111.057 179.99 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 73' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -77.1 169.04 19.05 Favored 'General case' 0 N--CA 1.449 -0.488 0 N-CA-C 106.397 -1.705 . . . . 0.0 106.397 171.737 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 74' ' ' MET . . . . . . . . . . . . . 33.9 ttm -114.2 122.43 46.75 Favored 'General case' 0 N--CA 1.449 -0.501 0 N-CA-C 108.936 -0.764 . . . . 0.0 108.936 -176.065 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 75' ' ' ILE . . . . . . . . . . . . . 0.2 OUTLIER -129.36 135.76 60.98 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.417 0 N-CA-C 109.232 -0.655 . . . . 0.0 109.232 179.71 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . 54.42 17.81 1.71 Allowed 'General case' 0 CA--C 1.534 0.346 0 C-N-CA 123.182 0.593 . . . . 0.0 112.179 -174.404 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 88.97 5.07 74.11 Favored Glycine 0 CA--C 1.526 0.778 0 CA-C-O 119.725 -0.486 . . . . 0.0 112.217 -179.348 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 78' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -124.61 131.63 53.46 Favored 'General case' 0 N--CA 1.449 -0.52 0 CA-C-N 117.728 0.764 . . . . 0.0 110.214 -179.787 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 79' ' ' VAL . . . . . . . . . . . . . 54.4 t -63.52 140.45 19.63 Favored 'Isoleucine or valine' 0 C--O 1.227 -0.101 0 C-N-CA 124.093 0.957 . . . . 0.0 110.391 -179.076 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 30.9 mt -94.17 157.77 15.91 Favored 'General case' 0 N--CA 1.457 -0.118 0 CA-C-O 120.696 0.284 . . . . 0.0 111.095 176.952 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 81' ' ' ASP . . . . . . . . . . . . . 28.5 t70 -125.19 100.17 6.42 Favored 'General case' 0 N--CA 1.453 -0.284 0 N-CA-C 107.777 -1.194 . . . . 0.0 107.777 175.681 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 82' ' ' ILE . . . . . . . . . . . . . 64.9 mt -116.08 139.81 41.0 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.337 0 C-N-CA 123.133 0.573 . . . . 0.0 110.361 -169.741 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 83' ' ' ASN . . . . . . . . . . . . . 1.9 p-10 -157.26 164.02 38.13 Favored 'General case' 0 N--CA 1.455 -0.215 0 C-N-CA 122.81 0.444 . . . . 0.0 110.594 178.787 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 84' ' ' LEU . . . . . 0.412 HD11 ' HA ' ' A' ' 15' ' ' ASN . 0.2 OUTLIER -58.7 134.76 57.09 Favored 'General case' 0 N--CA 1.451 -0.399 0 N-CA-C 108.618 -0.882 . . . . 0.0 108.618 176.036 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . -63.74 2.05 0.53 Allowed 'General case' 0 CA--C 1.535 0.365 0 N-CA-C 113.64 0.978 . . . . 0.0 113.64 -176.681 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . -128.89 3.66 5.37 Favored 'General case' 0 CA--C 1.53 0.198 0 CA-C-N 118.367 0.531 . . . . 0.0 111.397 178.864 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 80.3 mm-40 -138.39 65.77 42.4 Favored Pre-proline 0 N--CA 1.454 -0.258 0 C-N-CA 123.404 0.682 . . . . 0.0 110.056 -179.426 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 88' ' ' PRO . . . . . . . . . . . . . 56.4 Cg_endo -63.16 146.72 94.33 Favored 'Trans proline' 0 N--CA 1.45 -1.033 0 C-N-CA 122.978 2.452 . . . . 0.0 109.55 176.643 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 89' ' ' LYS . . . . . 0.418 ' HG3' ' H ' ' A' ' 90' ' ' VAL . 15.9 ptpt -88.23 -106.32 0.08 Allowed 'General case' 0 N--CA 1.452 -0.368 0 CA-C-N 115.466 -0.788 . . . . 0.0 111.006 -173.039 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 90' ' ' VAL . . . . . 0.418 ' H ' ' HG3' ' A' ' 89' ' ' LYS . 67.9 t -143.73 -31.16 0.15 Allowed 'Isoleucine or valine' 0 N--CA 1.462 0.135 0 C-N-CA 123.81 0.844 . . . . 0.0 111.682 -173.041 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 91' ' ' ASN . . . . . . . . . . . . . 30.0 m-80 -86.09 2.55 46.19 Favored 'General case' 0 N--CA 1.454 -0.253 0 N-CA-C 112.776 0.658 . . . . 0.0 112.776 -174.625 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 92' ' ' ARG . . . . . . . . . . . . . 73.2 ttp85 -65.24 89.38 0.09 Allowed 'General case' 0 CA--C 1.529 0.149 0 N-CA-C 108.999 -0.741 . . . . 0.0 108.999 178.387 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . -179.37 56.52 0.08 OUTLIER Glycine 0 CA--C 1.523 0.536 0 CA-C-O 119.866 -0.408 . . . . 0.0 113.861 -179.568 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 52.2 tttp 62.56 -24.06 0.05 Allowed 'General case' 0 CA--C 1.53 0.188 0 N-CA-C 115.715 1.746 . . . . 0.0 115.715 175.788 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . -156.22 157.9 36.64 Favored 'General case' 0 N--CA 1.453 -0.311 0 CA-C-N 118.898 0.772 . . . . 0.0 110.908 -178.419 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . -80.19 -9.89 86.09 Favored Glycine 0 CA--C 1.527 0.799 0 N-CA-C 111.681 -0.567 . . . . 0.0 111.681 177.386 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 97' ' ' VAL . . . . . 0.445 HG12 ' H ' ' A' ' 99' ' ' ARG . 62.0 t -92.49 137.1 22.99 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.216 0 N-CA-C 109.333 -0.617 . . . . 0.0 109.333 178.595 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 98' ' ' LYS . . . . . . . . . . . . . 74.9 mmtt -122.66 22.48 9.82 Favored 'General case' 0 CA--C 1.528 0.114 0 C-N-CA 123.425 0.69 . . . . 0.0 111.305 -176.236 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 99' ' ' ARG . . . . . 0.445 ' H ' HG12 ' A' ' 97' ' ' VAL . 18.7 tpt180 -119.78 172.0 8.01 Favored 'General case' 0 N--CA 1.456 -0.149 0 C-N-CA 124.02 0.928 . . . . 0.0 109.724 -179.358 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 70.1 m -62.6 -15.75 53.08 Favored 'General case' 0 N--CA 1.455 -0.207 0 C-N-CA 123.262 0.625 . . . . 0.0 112.194 179.606 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 101' ' ' ALA . . . . . . . . . . . . . . . 51.9 18.08 0.74 Allowed 'General case' 0 CA--C 1.535 0.371 0 C-N-CA 124.029 0.932 . . . . 0.0 112.367 -176.01 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -149.35 12.1 0.81 Allowed 'General case' 0 N--CA 1.453 -0.28 0 C-N-CA 123.585 0.754 . . . . 0.0 111.174 -178.102 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 22.1 pt-20 -70.0 -5.85 29.31 Favored 'General case' 0 CA--C 1.529 0.156 0 N-CA-C 112.397 0.517 . . . . 0.0 112.397 -176.791 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 104' ' ' MET . . . . . . . . . . . . . 25.1 ptp -132.48 8.64 4.27 Favored 'General case' 0 N--CA 1.456 -0.144 0 C-N-CA 123.337 0.655 . . . . 0.0 111.836 -179.313 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 105' ' ' TYR . . . . . . . . . . . . . 17.3 m-85 -116.72 0.79 12.68 Favored 'General case' 0 CA--C 1.528 0.117 0 C-N-CA 123.284 0.633 . . . . 0.0 111.421 179.734 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 106' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.525 0.673 0 N-CA-C 111.389 -0.684 . . . . 0.0 111.389 179.224 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' B' B ' 1' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.422 -2.598 0 O4'-C1'-N19 112.031 3.831 . 0.0 '__' . 0.0 . . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' B' B ' 2' ' ' ' U' . . . . . 0.435 " H4'" " H5'" ' B' ' 3' ' ' ' U' . . . . . . . . 0 O4'--C4' 1.42 -2.709 0 O4'-C1'-N19 111.436 3.236 . 0.097 4b . 0.0 . . . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 3' ' ' ' U' . . . . . 0.435 " H5'" " H4'" ' B' ' 2' ' ' ' U' . . . . . . . . 0 O4'--C4' 1.42 -2.75 0 C5'-C4'-C3' 111.304 -2.798 . 0.446 0b . 0.0 . . . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 4' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.422 -2.621 1 O4'-C1'-N19 112.774 4.574 . 0.144 4b . 0.0 . . . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 5' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.423 -2.529 0 C5'-C4'-C3' 110.042 -3.639 . 0.0 OUTLIER delta 0.0 . . . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.472 0.653 0 CA-C-O 120.45 0.167 . . . . 0.0 110.81 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 35.8 t -69.15 158.52 34.74 Favored 'General case' 0 C--N 1.337 0.051 0 C-N-CA 122.847 0.459 . . . . 0.0 110.37 178.275 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 4' ' ' ASN . . . . . . . . . . . . . 3.6 p-10 -86.04 1.46 50.22 Favored 'General case' 0 CA--C 1.531 0.224 0 C-N-CA 122.803 0.441 . . . . 0.0 111.513 178.35 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 96.5 t -99.18 136.57 29.74 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.181 0 C-N-CA 122.651 0.38 . . . . 0.0 111.18 -176.384 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 58.8 p -146.4 2.4 0.85 Allowed 'General case' 0 CA--C 1.528 0.104 0 C-N-CA 123.376 0.67 . . . . 0.0 111.477 179.625 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 7' ' ' ASN . . . . . . . . . . . . . 60.0 t-20 -101.86 98.17 8.45 Favored 'General case' 0 N--CA 1.455 -0.224 0 O-C-N 121.441 -0.787 . . . . 0.0 111.1 -176.671 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 58.0 mtmt -142.56 145.44 33.59 Favored 'General case' 0 CA--C 1.529 0.14 0 C-N-CA 124.391 1.076 . . . . 0.0 108.847 176.39 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 74.9 p -117.5 15.42 14.66 Favored 'General case' 0 N--CA 1.463 0.187 0 N-CA-C 112.559 0.578 . . . . 0.0 112.559 -173.005 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 14.7 m-20 -65.11 151.41 93.73 Favored Pre-proline 0 CA--C 1.531 0.227 0 O-C-N 122.132 -0.355 . . . . 0.0 110.24 177.664 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 11' ' ' PRO . . . . . . . . . . . . . 57.6 Cg_endo -65.51 -1.23 4.48 Favored 'Trans proline' 0 N--CA 1.455 -0.749 0 C-N-CA 124.177 3.251 . . . . 0.0 113.002 -174.44 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -129.38 -25.92 2.61 Favored 'General case' 0 C--N 1.338 0.092 0 CA-C-N 118.255 0.479 . . . . 0.0 110.249 178.183 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 36.5 m -80.32 -22.72 41.22 Favored 'General case' 0 C--N 1.333 -0.122 0 O-C-N 121.991 -0.443 . . . . 0.0 111.665 -179.892 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 14' ' ' MET . . . . . . . . . . . . . 12.7 ptm -91.71 2.73 56.29 Favored 'General case' 0 N--CA 1.455 -0.19 0 CA-C-N 118.48 0.582 . . . . 0.0 111.591 175.498 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 71.3 m-80 -111.66 -22.93 10.94 Favored 'General case' 0 CA--C 1.528 0.128 0 C-N-CA 123.028 0.531 . . . . 0.0 110.083 175.182 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 88.3 p -84.01 1.57 43.14 Favored 'General case' 0 N--CA 1.456 -0.138 0 O-C-N 122.101 -0.374 . . . . 0.0 110.711 169.555 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 31.2 ttp-105 -97.97 150.44 21.35 Favored 'General case' 0 N--CA 1.454 -0.236 0 C-N-CA 123.221 0.609 . . . . 0.0 109.954 175.632 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 93.8 t -126.53 129.52 71.74 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.387 0 C-N-CA 123.109 0.564 . . . . 0.0 109.733 179.192 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 20.2 t80 -89.47 133.98 34.31 Favored 'General case' 0 N--CA 1.449 -0.52 0 CA-C-N 115.301 -0.863 . . . . 0.0 109.175 175.601 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 64.8 mt -120.53 83.69 0.8 Allowed 'Isoleucine or valine' 0 CA--C 1.521 -0.158 0 N-CA-C 107.862 -1.162 . . . . 0.0 107.862 179.765 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -84.36 174.89 50.88 Favored Glycine 0 CA--C 1.526 0.728 0 N-CA-C 110.675 -0.97 . . . . 0.0 110.675 178.674 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 58.8 t30 48.46 47.26 20.35 Favored 'General case' 0 CA--C 1.531 0.22 0 C-N-CA 122.943 0.497 . . . . 0.0 110.758 -178.407 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 58.7 tp -99.28 144.55 28.27 Favored 'General case' 0 N--CA 1.455 -0.176 0 N-CA-C 109.396 -0.594 . . . . 0.0 109.396 179.535 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 64.7 t30 -69.6 -37.95 77.1 Favored 'General case' 0 CA--C 1.532 0.266 0 O-C-N 122.267 -0.27 . . . . 0.0 111.171 -177.542 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 60.0 p 53.97 -2.58 0.02 OUTLIER 'General case' 0 N--CA 1.464 0.248 0 C-N-CA 127.668 2.387 . . . . 0.0 115.49 179.129 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 85.3 mt -87.37 -20.55 26.56 Favored 'General case' 0 N--CA 1.452 -0.363 0 C-N-CA 123.235 0.614 . . . . 0.0 111.627 175.809 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 57.6 t -120.95 -26.07 2.33 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.236 0 C-N-CA 122.533 0.333 . . . . 0.0 111.635 -178.78 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 56.7 t -100.69 146.07 9.98 Favored 'Isoleucine or valine' 0 C--O 1.23 0.077 0 CA-C-N 118.065 0.393 . . . . 0.0 110.369 179.203 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 7.9 mptt -135.04 171.98 13.66 Favored 'General case' 0 CA--C 1.523 -0.07 0 C-N-CA 123.451 0.7 . . . . 0.0 110.142 -178.746 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 5.5 ptmm? -65.16 -8.18 15.87 Favored 'General case' 0 CA--C 1.53 0.197 0 C-N-CA 124.076 0.95 . . . . 0.0 111.85 178.839 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 39.3 m -97.0 -1.24 45.93 Favored 'General case' 0 CA--C 1.528 0.132 0 C-N-CA 123.252 0.621 . . . . 0.0 110.894 175.882 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 21.1 m-20 -114.26 -34.54 5.28 Favored 'General case' 0 N--CA 1.454 -0.245 0 C-N-CA 123.836 0.855 . . . . 0.0 110.271 179.587 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 72.0 t -62.48 -32.88 56.7 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.24 0 N-CA-C 109.391 -0.596 . . . . 0.0 109.391 177.942 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 23.5 pt-20 -79.11 7.78 6.89 Favored 'General case' 0 CA--C 1.529 0.171 0 N-CA-C 112.075 0.398 . . . . 0.0 112.075 178.242 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -127.3 -6.58 5.91 Favored 'General case' 0 CA--C 1.53 0.191 0 C-N-CA 123.237 0.615 . . . . 0.0 111.31 176.973 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 78.1 mt -110.85 -27.97 2.72 Favored 'Isoleucine or valine' 0 CA--C 1.528 0.13 0 C-N-CA 123.272 0.629 . . . . 0.0 110.735 178.638 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 37' ' ' PHE . . . . . . . . . . . . . 65.6 m-85 -103.13 -8.61 20.36 Favored 'General case' 0 N--CA 1.456 -0.158 0 C-N-CA 122.612 0.365 . . . . 0.0 110.779 179.932 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 64.6 p -72.9 -14.7 61.53 Favored 'General case' 0 C--O 1.232 0.134 0 C-N-CA 122.4 0.28 . . . . 0.0 111.721 -179.056 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 13.0 ptmm? -83.11 -9.82 59.01 Favored 'General case' 0 CA--C 1.528 0.106 0 C-N-CA 123.496 0.718 . . . . 0.0 112.296 179.106 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 40' ' ' TYR . . . . . . . . . . . . . 85.3 m-85 -106.79 -14.6 14.95 Favored 'General case' 0 C--O 1.23 0.075 0 C-N-CA 122.454 0.301 . . . . 0.0 111.226 177.684 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -177.72 162.2 29.84 Favored Glycine 0 CA--C 1.523 0.533 0 N-CA-C 111.712 -0.555 . . . . 0.0 111.712 175.027 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 78.8 tttt -73.64 114.14 11.55 Favored 'General case' 0 N--CA 1.452 -0.353 0 N-CA-C 108.979 -0.749 . . . . 0.0 108.979 178.075 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 43' ' ' ILE . . . . . . . . . . . . . 77.6 mt -83.43 130.54 35.62 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.23 0 N-CA-C 109.581 -0.526 . . . . 0.0 109.581 -178.418 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 33.7 m -109.61 -8.47 11.38 Favored 'Isoleucine or valine' 0 CA--C 1.526 0.054 0 C-N-CA 123.24 0.616 . . . . 0.0 110.602 179.072 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . -168.94 147.61 11.4 Favored Glycine 0 CA--C 1.524 0.632 0 N-CA-C 109.776 -1.329 . . . . 0.0 109.776 178.004 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 46' ' ' CYS . . . . . . . . . . . . . 22.1 p -151.24 153.74 35.47 Favored 'General case' 0 N--CA 1.451 -0.411 0 O-C-N 122.51 -0.406 . . . . 0.0 110.26 179.739 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 90.1 p -157.09 148.94 22.56 Favored 'General case' 0 N--CA 1.452 -0.349 0 N-CA-C 109.999 -0.371 . . . . 0.0 109.999 176.176 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 48' ' ' VAL . . . . . . . . . . . . . 86.3 t -125.35 145.48 32.64 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.238 0 N-CA-C 109.019 -0.734 . . . . 0.0 109.019 174.641 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 49' ' ' HIS . . . . . . . . . . . . . 46.9 m-70 -133.5 -163.69 1.39 Allowed 'General case' 0 N--CA 1.451 -0.386 0 N-CA-C 108.347 -0.982 . . . . 0.0 108.347 -176.225 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 96.8 mttt -90.0 115.58 27.4 Favored 'General case' 0 N--CA 1.454 -0.231 0 N-CA-C 109.709 -0.478 . . . . 0.0 109.709 177.099 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 81.31 -8.65 57.68 Favored Glycine 0 CA--C 1.529 0.941 0 CA-C-O 119.467 -0.63 . . . . 0.0 113.854 178.702 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 49.8 p90 -151.32 169.96 20.69 Favored 'General case' 0 C--N 1.339 0.137 0 CA-C-N 118.751 1.276 . . . . 0.0 111.761 178.579 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -148.94 171.64 16.0 Favored 'General case' 0 CA--C 1.533 0.292 0 C-N-CA 123.819 0.848 . . . . 0.0 109.794 176.436 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 54' ' ' PHE . . . . . . . . . . . . . 15.9 m-85 -139.94 148.25 41.7 Favored 'General case' 0 C--O 1.233 0.211 0 C-N-CA 123.428 0.691 . . . . 0.0 110.172 179.423 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 99.3 t -138.04 137.87 44.14 Favored 'Isoleucine or valine' 0 CA--C 1.519 -0.231 0 C-N-CA 123.731 0.812 . . . . 0.0 109.001 178.416 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 56' ' ' GLN . . . . . . . . . . . . . 57.1 tp60 -117.82 130.95 56.59 Favored 'General case' 0 N--CA 1.452 -0.342 0 N-CA-C 109.166 -0.679 . . . . 0.0 109.166 -177.291 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 57' ' ' TYR . . . . . . . . . . . . . 52.5 m-85 -112.08 176.25 5.1 Favored 'General case' 0 N--CA 1.453 -0.307 0 C-N-CA 122.843 0.457 . . . . 0.0 110.943 179.701 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 58' ' ' VAL . . . . . . . . . . . . . 80.3 t -71.97 -31.44 40.52 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.309 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.418 179.12 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 59' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -155.67 170.04 22.94 Favored 'General case' 0 N--CA 1.456 -0.165 0 N-CA-C 111.906 0.336 . . . . 0.0 111.906 177.619 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 60.4 tt0 -58.85 -31.61 68.67 Favored 'General case' 0 CA--C 1.531 0.225 0 C-N-CA 123.475 0.71 . . . . 0.0 112.123 -178.041 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 25.5 tpt180 -58.59 -39.73 81.2 Favored 'General case' 0 C--N 1.339 0.123 0 CA-C-N 119.013 0.824 . . . . 0.0 110.146 -179.599 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 62' ' ' ASN . . . . . . . . . . . . . 19.0 m120 -71.59 -24.68 61.95 Favored 'General case' 0 N--CA 1.449 -0.484 0 O-C-N 122.225 -0.297 . . . . 0.0 110.968 -179.542 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -77.06 -36.72 55.69 Favored 'General case' 0 N--CA 1.454 -0.247 0 O-C-N 122.387 -0.196 . . . . 0.0 110.516 177.964 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 64' ' ' ARG . . . . . . . . . . . . . 41.3 mmt180 -68.55 -25.9 65.15 Favored 'General case' 0 N--CA 1.46 0.063 0 N-CA-C 110.222 -0.288 . . . . 0.0 110.222 178.109 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -80.67 -33.6 35.4 Favored 'General case' 0 N--CA 1.454 -0.241 0 CA-C-N 117.438 0.108 . . . . 0.0 110.747 -178.854 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -80.88 -35.45 32.58 Favored 'General case' 0 N--CA 1.451 -0.387 0 O-C-N 122.088 -0.383 . . . . 0.0 111.206 178.666 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 67' ' ' VAL . . . . . . . . . . . . . 48.9 t -64.55 -33.67 64.58 Favored 'Isoleucine or valine' 0 C--N 1.338 0.089 0 N-CA-C 109.907 -0.405 . . . . 0.0 109.907 175.452 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -91.8 -9.11 44.73 Favored 'General case' 0 N--CA 1.455 -0.206 0 N-CA-C 112.082 0.401 . . . . 0.0 112.082 178.37 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . -104.61 -12.04 29.42 Favored Glycine 0 CA--C 1.53 1.015 0 CA-C-O 119.276 -0.736 . . . . 0.0 114.21 -177.475 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 27.6 mm-40 -135.16 -19.53 1.72 Allowed 'General case' 0 CA--C 1.53 0.18 0 CA-C-N 118.623 1.212 . . . . 0.0 112.516 -174.698 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 23.7 t0 -62.17 117.33 5.89 Favored 'General case' 0 C--O 1.234 0.266 0 CA-C-N 118.955 0.798 . . . . 0.0 109.954 178.932 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . 87.98 10.53 69.09 Favored Glycine 0 C--N 1.337 0.595 0 N-CA-C 111.105 -0.798 . . . . 0.0 111.105 179.888 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 73' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -76.59 169.25 18.61 Favored 'General case' 0 N--CA 1.449 -0.494 0 N-CA-C 106.226 -1.768 . . . . 0.0 106.226 171.635 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 74' ' ' MET . . . . . . . . . . . . . 33.2 ttm -114.21 122.46 46.84 Favored 'General case' 0 N--CA 1.452 -0.357 0 N-CA-C 109.248 -0.649 . . . . 0.0 109.248 -176.633 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 75' ' ' ILE . . . . . . . . . . . . . 0.3 OUTLIER -130.12 136.24 59.18 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.383 0 N-CA-C 109.501 -0.555 . . . . 0.0 109.501 179.296 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . 54.26 18.44 1.83 Allowed 'General case' 0 CA--C 1.534 0.337 0 C-N-CA 123.302 0.641 . . . . 0.0 112.056 -173.776 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 88.71 4.3 76.13 Favored Glycine 0 CA--C 1.527 0.81 0 N-CA-C 111.903 -0.479 . . . . 0.0 111.903 -179.312 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 78' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -124.32 131.26 53.51 Favored 'General case' 0 N--CA 1.452 -0.369 0 CA-C-N 117.993 0.896 . . . . 0.0 110.385 -179.131 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 79' ' ' VAL . . . . . . . . . . . . . 48.4 t -63.2 140.22 19.99 Favored 'Isoleucine or valine' 0 C--O 1.228 -0.064 0 C-N-CA 124.38 1.072 . . . . 0.0 110.282 -179.02 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 32.7 mt -94.58 157.46 15.97 Favored 'General case' 0 N--CA 1.455 -0.199 0 CA-C-O 120.623 0.249 . . . . 0.0 111.198 177.041 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 81' ' ' ASP . . . . . . . . . . . . . 29.9 t70 -122.52 102.04 7.84 Favored 'General case' 0 N--CA 1.456 -0.174 0 N-CA-C 107.911 -1.144 . . . . 0.0 107.911 174.11 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 82' ' ' ILE . . . . . . . . . . . . . 63.0 mt -116.63 139.56 42.91 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.235 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.113 -171.078 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 83' ' ' ASN . . . . . . . . . . . . . 1.8 p-10 -159.71 166.51 30.36 Favored 'General case' 0 N--CA 1.453 -0.277 0 C-N-CA 123.208 0.603 . . . . 0.0 110.121 -179.71 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 84' ' ' LEU . . . . . . . . . . . . . 1.6 tp -60.83 143.92 53.75 Favored 'General case' 0 N--CA 1.452 -0.341 0 N-CA-C 109.109 -0.701 . . . . 0.0 109.109 175.626 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . -66.07 3.04 0.93 Allowed 'General case' 0 CA--C 1.535 0.401 0 N-CA-C 112.886 0.698 . . . . 0.0 112.886 -178.72 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . -136.93 5.28 2.82 Favored 'General case' 0 N--CA 1.454 -0.226 0 C-N-CA 123.047 0.539 . . . . 0.0 111.678 178.121 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 78.8 mt-10 -141.63 67.22 23.95 Favored Pre-proline 0 CA--C 1.53 0.189 0 C-N-CA 122.964 0.505 . . . . 0.0 110.208 -179.343 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 88' ' ' PRO . . . . . . . . . . . . . 64.1 Cg_endo -65.98 141.85 66.11 Favored 'Trans proline' 0 N--CA 1.451 -0.976 0 C-N-CA 122.881 2.388 . . . . 0.0 108.028 175.539 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 89' ' ' LYS . . . . . 0.431 ' HG3' ' H ' ' A' ' 90' ' ' VAL . 3.2 ptpp? -56.91 -64.58 0.83 Allowed 'General case' 0 C--N 1.34 0.181 0 N-CA-C 112.84 0.682 . . . . 0.0 112.84 -169.915 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 90' ' ' VAL . . . . . 0.431 ' H ' ' HG3' ' A' ' 89' ' ' LYS . 94.8 t -146.97 -38.58 0.11 Allowed 'Isoleucine or valine' 0 C--N 1.334 -0.069 0 CA-C-N 117.933 0.333 . . . . 0.0 110.411 179.091 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 91' ' ' ASN . . . . . . . . . . . . . 50.2 m-80 -129.34 175.89 8.38 Favored 'General case' 0 N--CA 1.452 -0.358 0 C-N-CA 123.078 0.551 . . . . 0.0 109.706 -177.16 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 92' ' ' ARG . . . . . . . . . . . . . 36.8 ttm180 -144.31 -49.4 0.28 Allowed 'General case' 0 N--CA 1.455 -0.204 0 N-CA-C 111.726 0.269 . . . . 0.0 111.726 -179.678 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . -77.13 117.51 4.85 Favored Glycine 0 CA--C 1.522 0.5 0 N-CA-C 113.881 0.312 . . . . 0.0 113.881 -169.776 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 54.1 mtmt 55.52 -13.89 0.01 OUTLIER 'General case' 0 CA--C 1.533 0.327 0 C-N-CA 127.342 2.257 . . . . 0.0 116.737 172.492 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . -161.35 164.26 30.18 Favored 'General case' 0 N--CA 1.454 -0.246 0 CA-C-N 119.827 1.194 . . . . 0.0 111.444 -179.113 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . -102.89 6.24 51.46 Favored Glycine 0 C--N 1.339 0.711 0 CA-C-O 119.172 -0.793 . . . . 0.0 111.424 177.751 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 97' ' ' VAL . . . . . . . . . . . . . 13.3 p -57.82 131.76 21.99 Favored 'Isoleucine or valine' 0 N--CA 1.457 -0.089 0 CA-C-N 118.378 1.089 . . . . 0.0 110.14 -176.43 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 98' ' ' LYS . . . . . . . . . . . . . 10.6 ptpt -127.1 29.39 5.61 Favored 'General case' 0 N--CA 1.456 -0.167 0 C-N-CA 124.087 0.955 . . . . 0.0 111.45 -169.77 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 99' ' ' ARG . . . . . 0.49 ' HE ' ' CD ' ' A' ' 103' ' ' GLU . 2.4 tpt180 -133.72 163.49 29.34 Favored 'General case' 0 N--CA 1.455 -0.183 0 C-N-CA 123.724 0.809 . . . . 0.0 109.253 -179.892 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 61.7 m -68.79 -11.58 60.53 Favored 'General case' 0 N--CA 1.455 -0.184 0 C-N-CA 122.58 0.352 . . . . 0.0 111.305 177.724 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 101' ' ' ALA . . . . . . . . . . . . . . . 50.96 14.31 0.18 Allowed 'General case' 0 CA--C 1.538 0.483 0 C-N-CA 124.455 1.102 . . . . 0.0 113.055 -175.325 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -150.02 4.12 0.54 Allowed 'General case' 0 N--CA 1.455 -0.197 0 C-N-CA 122.908 0.483 . . . . 0.0 112.128 -178.465 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 103' ' ' GLU . . . . . 0.49 ' CD ' ' HE ' ' A' ' 99' ' ' ARG . 11.2 pt-20 -76.37 -3.53 37.44 Favored 'General case' 0 CA--C 1.53 0.182 0 N-CA-C 112.315 0.487 . . . . 0.0 112.315 -176.332 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 104' ' ' MET . . . . . . . . . . . . . 72.4 mtm -105.09 8.27 34.17 Favored 'General case' 0 CA--C 1.53 0.207 0 C-N-CA 123.717 0.807 . . . . 0.0 111.271 -179.816 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 105' ' ' TYR . . . . . . . . . . . . . 51.9 m-85 -132.35 1.48 3.79 Favored 'General case' 0 N--CA 1.456 -0.13 0 C-N-CA 122.864 0.466 . . . . 0.0 111.794 -177.737 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 106' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.527 0.789 0 N-CA-C 111.389 -0.684 . . . . 0.0 111.389 178.843 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' B' B ' 1' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.422 -2.625 0 O4'-C1'-N19 111.419 3.219 . 0.0 '__' . 0.0 . . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' B' B ' 2' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.421 -2.698 1 O4'-C1'-N19 112.552 4.352 . 0.0 OUTLIER '7D dist 4b' 0.0 . . . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 3' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.42 -2.731 0 C5'-C4'-C3' 111.445 -2.703 . 0.098 0b . 0.0 . . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' B' B ' 4' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.422 -2.588 1 O4'-C1'-N19 112.63 4.43 . 0.203 4b . 0.0 . . . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 5' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.417 -2.976 1 O4'-C1'-N19 114.33 6.13 . 0.149 6p . 0.0 . . . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.477 0.901 0 N-CA-C 110.697 -0.112 . . . . 0.0 110.697 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 33.2 t -65.58 159.97 23.48 Favored 'General case' 0 N--CA 1.456 -0.164 0 C-N-CA 122.364 0.266 . . . . 0.0 110.69 178.751 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 4' ' ' ASN . . . . . . . . . . . . . 4.0 p-10 -91.74 2.9 56.18 Favored 'General case' 0 C--N 1.333 -0.127 0 C-N-CA 123.03 0.532 . . . . 0.0 111.261 177.951 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 64.2 t -99.04 135.35 34.47 Favored 'Isoleucine or valine' 0 C--N 1.339 0.129 0 C-N-CA 122.747 0.419 . . . . 0.0 111.331 -176.307 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 76.3 p -149.9 9.06 0.67 Allowed 'General case' 0 CA--C 1.532 0.258 0 C-N-CA 123.83 0.852 . . . . 0.0 112.152 -177.735 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 7' ' ' ASN . . . . . . . . . . . . . 41.0 p30 -105.21 20.0 19.62 Favored 'General case' 0 CA--C 1.532 0.275 0 N-CA-C 114.6 1.333 . . . . 0.0 114.6 -172.779 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 54.3 mtmt -66.49 139.51 57.96 Favored 'General case' 0 C--N 1.339 0.152 0 N-CA-C 109.495 -0.557 . . . . 0.0 109.495 177.76 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 71.6 p -110.21 15.58 22.28 Favored 'General case' 0 C--N 1.333 -0.113 0 N-CA-C 113.152 0.797 . . . . 0.0 113.152 -173.052 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 15.7 m-20 -63.94 150.84 90.81 Favored Pre-proline 0 CA--C 1.533 0.298 0 O-C-N 122.14 -0.35 . . . . 0.0 110.087 178.075 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 11' ' ' PRO . . . . . . . . . . . . . 56.5 Cg_endo -64.62 -6.56 12.45 Favored 'Trans proline' 0 N--CA 1.456 -0.73 0 C-N-CA 123.651 2.901 . . . . 0.0 112.654 -175.209 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 3.2 tmm_? -115.32 -36.27 4.38 Favored 'General case' 0 C--O 1.226 -0.142 0 N-CA-C 109.646 -0.501 . . . . 0.0 109.646 177.593 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 50.8 m -70.44 -24.53 62.91 Favored 'General case' 0 N--CA 1.456 -0.171 0 CA-C-O 119.739 -0.172 . . . . 0.0 111.311 -179.33 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 14' ' ' MET . . . . . . . . . . . . . 14.6 ptm -90.53 2.53 55.68 Favored 'General case' 0 N--CA 1.453 -0.286 0 CA-C-N 118.184 0.447 . . . . 0.0 111.981 177.281 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 60.1 m-80 -113.69 -23.15 9.87 Favored 'General case' 0 C--N 1.339 0.117 0 C-N-CA 123.125 0.57 . . . . 0.0 110.516 173.894 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 88.9 p -84.44 1.6 44.66 Favored 'General case' 0 CA--C 1.531 0.237 0 C-N-CA 122.539 0.336 . . . . 0.0 110.464 169.496 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 29.3 ttp-105 -98.88 151.18 21.13 Favored 'General case' 0 CA--C 1.52 -0.175 0 C-N-CA 123.149 0.58 . . . . 0.0 110.132 175.897 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 83.4 t -125.05 128.08 72.78 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.37 0 C-N-CA 123.03 0.532 . . . . 0.0 109.724 178.958 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 19' ' ' PHE . . . . . 0.47 ' CZ ' H5'' ' B' ' 2' ' ' ' U' . 13.4 t80 -87.66 130.53 34.76 Favored 'General case' 0 N--CA 1.451 -0.41 0 N-CA-C 108.823 -0.806 . . . . 0.0 108.823 174.591 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 62.4 mt -118.37 84.72 0.83 Allowed 'Isoleucine or valine' 0 CA--C 1.52 -0.21 0 N-CA-C 107.737 -1.208 . . . . 0.0 107.737 179.238 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -85.67 175.05 48.77 Favored Glycine 0 CA--C 1.523 0.539 0 N-CA-C 110.827 -0.909 . . . . 0.0 110.827 178.723 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 54.8 t30 48.98 47.48 21.7 Favored 'General case' 0 N--CA 1.453 -0.301 0 C-N-CA 122.984 0.514 . . . . 0.0 110.359 -178.262 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 56.7 tp -100.28 145.65 27.86 Favored 'General case' 0 N--CA 1.454 -0.253 0 C-N-CA 123.14 0.576 . . . . 0.0 109.777 179.773 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 64.3 t30 -70.59 -36.98 73.84 Favored 'General case' 0 C--N 1.338 0.105 0 CA-C-N 117.886 0.312 . . . . 0.0 111.518 -177.57 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 48.7 p 50.72 9.45 0.05 OUTLIER 'General case' 0 N--CA 1.467 0.417 0 C-N-CA 126.406 1.882 . . . . 0.0 114.858 178.877 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 3.3 mm? -102.83 -14.4 16.6 Favored 'General case' 0 CA--C 1.531 0.23 0 C-N-CA 123.84 0.856 . . . . 0.0 111.161 176.469 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 63.5 t -126.3 -24.81 1.63 Allowed 'Isoleucine or valine' 0 C--N 1.34 0.16 0 C-N-CA 122.679 0.392 . . . . 0.0 110.608 178.75 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 47.4 t -102.33 146.59 10.15 Favored 'Isoleucine or valine' 0 C--O 1.232 0.159 0 N-CA-C 110.194 -0.299 . . . . 0.0 110.194 178.896 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 8.1 mptt -135.89 172.58 12.8 Favored 'General case' 0 C--N 1.34 0.157 0 C-N-CA 123.343 0.657 . . . . 0.0 110.207 -178.819 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 10.3 ptmt -68.09 -4.45 13.62 Favored 'General case' 0 CA--C 1.53 0.206 0 C-N-CA 123.574 0.75 . . . . 0.0 112.039 179.419 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 37.6 m -99.86 0.03 40.61 Favored 'General case' 0 CA--C 1.529 0.144 0 C-N-CA 123.385 0.674 . . . . 0.0 110.539 174.365 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 21.2 m-20 -116.05 -33.4 5.07 Favored 'General case' 0 N--CA 1.452 -0.33 0 C-N-CA 123.729 0.812 . . . . 0.0 110.819 179.8 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 72.9 t -65.49 -30.82 51.34 Favored 'Isoleucine or valine' 0 N--CA 1.457 -0.114 0 N-CA-C 108.981 -0.748 . . . . 0.0 108.981 178.809 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 24.9 pt-20 -79.34 8.78 5.53 Favored 'General case' 0 CA--C 1.53 0.206 0 N-CA-C 111.765 0.283 . . . . 0.0 111.765 178.089 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -127.03 -8.51 5.98 Favored 'General case' 0 N--CA 1.454 -0.269 0 C-N-CA 123.306 0.642 . . . . 0.0 111.017 176.183 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 77.6 mt -107.76 -26.34 3.32 Favored 'Isoleucine or valine' 0 C--N 1.339 0.138 0 C-N-CA 123.41 0.684 . . . . 0.0 110.676 178.398 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 37' ' ' PHE . . . . . . . . . . . . . 63.2 m-85 -105.81 -5.57 19.7 Favored 'General case' 0 N--CA 1.456 -0.15 0 C-N-CA 122.819 0.448 . . . . 0.0 110.94 -179.78 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 77.6 p -76.02 -14.38 60.22 Favored 'General case' 0 N--CA 1.456 -0.144 0 O-C-N 122.229 -0.294 . . . . 0.0 111.271 -179.88 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 13.5 ptmm? -80.43 -11.68 59.66 Favored 'General case' 0 N--CA 1.456 -0.149 0 C-N-CA 123.129 0.571 . . . . 0.0 112.265 179.304 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 40' ' ' TYR . . . . . . . . . . . . . 64.5 m-85 -106.23 -15.74 14.77 Favored 'General case' 0 C--O 1.232 0.136 0 C-N-CA 122.579 0.352 . . . . 0.0 111.594 178.52 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -176.24 162.24 30.97 Favored Glycine 0 C--N 1.335 0.512 0 N-CA-C 111.883 -0.487 . . . . 0.0 111.883 174.981 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 54.7 tttp -72.65 115.44 11.93 Favored 'General case' 0 N--CA 1.452 -0.342 0 N-CA-C 108.89 -0.781 . . . . 0.0 108.89 177.815 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 43' ' ' ILE . . . . . . . . . . . . . 77.1 mt -83.21 129.66 37.08 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.323 0 N-CA-C 109.681 -0.488 . . . . 0.0 109.681 -178.841 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 33.8 m -107.27 -8.38 10.7 Favored 'Isoleucine or valine' 0 C--O 1.227 -0.116 0 C-N-CA 123.178 0.591 . . . . 0.0 110.633 178.759 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . -168.94 146.33 10.2 Favored Glycine 0 CA--C 1.525 0.688 0 N-CA-C 109.965 -1.254 . . . . 0.0 109.965 177.79 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 46' ' ' CYS . . . . . . . . . . . . . 45.4 t -150.65 144.54 25.28 Favored 'General case' 0 N--CA 1.451 -0.378 0 N-CA-C 109.747 -0.464 . . . . 0.0 109.747 -179.228 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 23.1 t -153.26 148.26 26.63 Favored 'General case' 0 N--CA 1.449 -0.507 0 CA-C-O 120.875 0.369 . . . . 0.0 110.13 177.032 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 48' ' ' VAL . . . . . . . . . . . . . 92.3 t -125.74 146.68 31.08 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.222 0 N-CA-C 109.267 -0.642 . . . . 0.0 109.267 177.572 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 49' ' ' HIS . . . . . . . . . . . . . 54.4 m-70 -131.79 -164.2 1.42 Allowed 'General case' 0 N--CA 1.449 -0.489 0 C-N-CA 124.174 0.99 . . . . 0.0 108.348 -176.666 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 98.3 mttt -90.75 116.91 28.96 Favored 'General case' 0 N--CA 1.452 -0.336 0 N-CA-C 109.374 -0.602 . . . . 0.0 109.374 175.647 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 83.08 -9.79 59.7 Favored Glycine 0 CA--C 1.533 1.171 0 CA-C-O 118.903 -0.943 . . . . 0.0 113.51 178.214 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 50.4 p90 -152.62 170.23 20.74 Favored 'General case' 0 N--CA 1.461 0.082 0 CA-C-N 119.037 1.419 . . . . 0.0 111.601 179.078 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -148.96 172.23 15.05 Favored 'General case' 0 CA--C 1.53 0.202 0 C-N-CA 123.784 0.834 . . . . 0.0 110.542 176.509 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 54' ' ' PHE . . . . . . . . . . . . . 11.9 m-85 -140.41 143.97 35.93 Favored 'General case' 0 N--CA 1.454 -0.263 0 C-N-CA 123.726 0.81 . . . . 0.0 110.606 -179.947 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 93.0 t -134.58 137.83 50.6 Favored 'Isoleucine or valine' 0 CA--C 1.518 -0.274 0 C-N-CA 123.657 0.783 . . . . 0.0 109.25 178.972 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 56' ' ' GLN . . . . . . . . . . . . . 59.2 tp60 -116.92 130.86 56.98 Favored 'General case' 0 N--CA 1.451 -0.397 0 N-CA-C 109.401 -0.592 . . . . 0.0 109.401 -176.966 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 57' ' ' TYR . . . . . . . . . . . . . 38.9 m-85 -113.14 176.17 5.13 Favored 'General case' 0 N--CA 1.455 -0.219 0 C-N-CA 123.342 0.657 . . . . 0.0 110.845 179.703 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 58' ' ' VAL . . . . . . . . . . . . . 69.1 t -72.3 -30.73 36.33 Favored 'Isoleucine or valine' 0 N--CA 1.456 -0.169 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.367 178.964 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 59' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -156.83 170.19 23.04 Favored 'General case' 0 CA--C 1.53 0.179 0 CA-C-N 118.082 0.401 . . . . 0.0 112.047 178.068 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 74.2 tt0 -59.69 -30.8 69.04 Favored 'General case' 0 N--CA 1.454 -0.249 0 C-N-CA 123.332 0.653 . . . . 0.0 112.212 -177.982 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 19.4 tpp180 -59.94 -39.03 84.14 Favored 'General case' 0 CA--C 1.527 0.086 0 CA-C-N 118.978 0.808 . . . . 0.0 110.298 -179.698 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 62' ' ' ASN . . . . . . . . . . . . . 17.4 m120 -71.07 -25.53 62.66 Favored 'General case' 0 N--CA 1.451 -0.425 0 C-N-CA 120.809 -0.356 . . . . 0.0 110.814 -179.864 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -76.43 -35.52 58.48 Favored 'General case' 0 N--CA 1.452 -0.334 0 N-CA-C 110.343 -0.243 . . . . 0.0 110.343 178.532 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 64' ' ' ARG . . . . . . . . . . . . . 39.8 mmt180 -69.01 -26.73 65.15 Favored 'General case' 0 CA--C 1.526 0.047 0 N-CA-C 110.12 -0.326 . . . . 0.0 110.12 178.411 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -80.09 -33.45 38.79 Favored 'General case' 0 N--CA 1.452 -0.332 0 CA-C-N 117.54 0.154 . . . . 0.0 110.879 -179.484 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -81.31 -33.74 32.36 Favored 'General case' 0 N--CA 1.452 -0.332 0 O-C-N 122.048 -0.408 . . . . 0.0 111.121 179.87 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 67' ' ' VAL . . . . . . . . . . . . . 46.7 t -67.28 -33.42 62.69 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.238 0 N-CA-C 109.926 -0.398 . . . . 0.0 109.926 176.131 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -90.05 -10.37 45.05 Favored 'General case' 0 CA--C 1.531 0.222 0 N-CA-C 112.007 0.373 . . . . 0.0 112.007 177.773 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . -102.6 -13.51 29.97 Favored Glycine 0 CA--C 1.532 1.136 0 CA-C-O 119.191 -0.783 . . . . 0.0 113.752 -177.052 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 45.8 mm-40 -133.95 -20.03 1.98 Allowed 'General case' 0 N--CA 1.465 0.302 0 CA-C-N 118.646 1.223 . . . . 0.0 112.311 -173.73 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 21.8 t70 -61.59 118.22 6.78 Favored 'General case' 0 N--CA 1.456 -0.13 0 CA-C-N 119.131 0.878 . . . . 0.0 109.93 178.701 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . 87.28 10.65 70.75 Favored Glycine 0 CA--C 1.524 0.643 0 N-CA-C 111.205 -0.758 . . . . 0.0 111.205 179.433 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 73' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -76.48 169.72 17.72 Favored 'General case' 0 N--CA 1.449 -0.509 0 N-CA-C 106.383 -1.71 . . . . 0.0 106.383 171.475 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 74' ' ' MET . . . . . . . . . . . . . 33.7 ttm -115.29 121.74 43.8 Favored 'General case' 0 N--CA 1.448 -0.552 0 N-CA-C 109.078 -0.712 . . . . 0.0 109.078 -177.095 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 75' ' ' ILE . . . . . . . . . . . . . 0.2 OUTLIER -129.01 135.7 61.47 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.318 0 N-CA-C 109.562 -0.532 . . . . 0.0 109.562 179.286 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . 54.46 18.19 1.86 Allowed 'General case' 0 CA--C 1.533 0.316 0 C-N-CA 123.245 0.618 . . . . 0.0 112.298 -174.01 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 89.3 3.56 75.33 Favored Glycine 0 CA--C 1.527 0.82 0 N-CA-C 112.099 -0.4 . . . . 0.0 112.099 -179.256 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 78' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -123.73 132.22 53.77 Favored 'General case' 0 N--CA 1.45 -0.442 0 CA-C-N 117.687 0.744 . . . . 0.0 110.307 -179.105 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 79' ' ' VAL . . . . . . . . . . . . . 50.1 t -64.36 140.93 18.89 Favored 'Isoleucine or valine' 0 CA--C 1.522 -0.127 0 C-N-CA 124.4 1.08 . . . . 0.0 110.507 -178.87 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 29.3 mt -96.12 155.98 16.53 Favored 'General case' 0 N--CA 1.456 -0.153 0 CA-C-O 120.864 0.364 . . . . 0.0 111.4 177.224 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 81' ' ' ASP . . . . . . . . . . . . . 7.3 m-20 -123.07 103.14 8.39 Favored 'General case' 0 N--CA 1.453 -0.293 0 N-CA-C 107.727 -1.212 . . . . 0.0 107.727 174.684 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 82' ' ' ILE . . . . . . . . . . . . . 65.5 mt -118.59 139.13 46.98 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.355 0 C-N-CA 123.143 0.577 . . . . 0.0 110.433 -169.847 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 83' ' ' ASN . . . . . . . . . . . . . 1.1 p-10 -161.04 172.0 17.62 Favored 'General case' 0 CA--C 1.529 0.163 0 C-N-CA 123.373 0.669 . . . . 0.0 110.174 -178.564 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 84' ' ' LEU . . . . . . . . . . . . . 3.2 mm? -64.54 150.32 47.0 Favored 'General case' 0 N--CA 1.455 -0.176 0 N-CA-C 109.271 -0.64 . . . . 0.0 109.271 176.37 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . -69.98 3.76 2.49 Favored 'General case' 0 CA--C 1.534 0.342 0 N-CA-C 112.002 0.371 . . . . 0.0 112.002 177.33 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . -136.89 -2.82 2.07 Favored 'General case' 0 N--CA 1.454 -0.238 0 C-N-CA 123.054 0.542 . . . . 0.0 112.357 -179.283 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 94.3 mt-10 -139.66 70.11 37.73 Favored Pre-proline 0 N--CA 1.454 -0.229 0 N-CA-C 109.217 -0.661 . . . . 0.0 109.217 178.398 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 88' ' ' PRO . . . . . . . . . . . . . 39.9 Cg_endo -61.96 144.94 96.97 Favored 'Trans proline' 0 N--CA 1.452 -0.937 0 C-N-CA 123.092 2.528 . . . . 0.0 109.103 178.971 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 89' ' ' LYS . . . . . 0.503 ' HG3' ' H ' ' A' ' 90' ' ' VAL . 14.5 ptpt -52.73 -63.85 1.01 Allowed 'General case' 0 C--N 1.34 0.155 0 N-CA-C 112.681 0.623 . . . . 0.0 112.681 -169.873 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 90' ' ' VAL . . . . . 0.503 ' H ' ' HG3' ' A' ' 89' ' ' LYS . 66.5 t -147.25 -38.66 0.11 Allowed 'Isoleucine or valine' 0 C--O 1.232 0.141 0 N-CA-C 110.273 -0.269 . . . . 0.0 110.273 177.165 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 91' ' ' ASN . . . . . . . . . . . . . 64.2 m-80 -135.97 167.91 20.34 Favored 'General case' 0 N--CA 1.45 -0.467 0 CA-C-O 120.897 0.38 . . . . 0.0 111.198 -175.889 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 92' ' ' ARG . . . . . . . . . . . . . 67.0 ttp85 -131.04 85.66 2.29 Favored 'General case' 0 N--CA 1.455 -0.187 0 N-CA-C 106.555 -1.646 . . . . 0.0 106.555 171.424 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 93' ' ' GLY . . . . . 0.401 ' O ' " H2'" ' B' ' 1' ' ' ' U' . . . -105.44 -131.76 7.1 Favored Glycine 0 C--N 1.333 0.404 0 N-CA-C 112.225 -0.35 . . . . 0.0 112.225 -174.164 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 60.2 tttp -132.32 -25.88 1.93 Allowed 'General case' 0 N--CA 1.455 -0.218 0 C-N-CA 123.044 0.538 . . . . 0.0 111.651 179.845 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . -150.65 142.0 23.33 Favored 'General case' 0 N--CA 1.453 -0.283 0 C-N-CA 122.384 0.273 . . . . 0.0 110.529 -179.65 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . -86.55 -2.4 84.89 Favored Glycine 0 CA--C 1.525 0.672 0 N-CA-C 112.088 -0.405 . . . . 0.0 112.088 178.192 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 97' ' ' VAL . . . . . 0.469 HG12 ' H ' ' A' ' 99' ' ' ARG . 30.9 t -123.52 138.63 52.7 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.232 0 N-CA-C 109.247 -0.649 . . . . 0.0 109.247 179.218 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 98' ' ' LYS . . . . . . . . . . . . . 35.3 mmtp -118.56 28.44 8.32 Favored 'General case' 0 C--O 1.232 0.162 0 C-N-CA 123.932 0.893 . . . . 0.0 111.172 -177.577 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 99' ' ' ARG . . . . . 0.469 ' H ' HG12 ' A' ' 97' ' ' VAL . 14.9 tpt180 -136.42 174.13 10.96 Favored 'General case' 0 CA--C 1.529 0.141 0 C-N-CA 123.875 0.87 . . . . 0.0 109.873 -177.374 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 100' ' ' SER . . . . . 0.415 ' H ' ' HG3' ' A' ' 99' ' ' ARG . 75.0 m -60.4 -18.14 48.66 Favored 'General case' 0 N--CA 1.457 -0.124 0 C-N-CA 123.478 0.711 . . . . 0.0 112.172 179.146 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 101' ' ' ALA . . . . . . . . . . . . . . . 52.63 16.51 0.66 Allowed 'General case' 0 CA--C 1.533 0.301 0 C-N-CA 123.94 0.896 . . . . 0.0 112.728 -177.069 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -148.01 5.85 0.77 Allowed 'General case' 0 N--CA 1.454 -0.261 0 C-N-CA 123.03 0.532 . . . . 0.0 111.496 -178.162 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 16.9 pt-20 -73.11 -7.67 52.35 Favored 'General case' 0 CA--C 1.533 0.306 0 O-C-N 122.034 -0.417 . . . . 0.0 111.917 -177.833 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 104' ' ' MET . . . . . . . . . . . . . 71.3 mtm -99.29 5.39 46.57 Favored 'General case' 0 N--CA 1.456 -0.157 0 C-N-CA 123.629 0.771 . . . . 0.0 111.487 -179.874 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 105' ' ' TYR . . . . . . . . . . . . . 49.3 m-85 -132.33 5.43 4.09 Favored 'General case' 0 CA--C 1.531 0.232 0 C-N-CA 122.936 0.494 . . . . 0.0 111.489 -177.748 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 106' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--N 1.337 0.628 0 N-CA-C 110.734 -0.946 . . . . 0.0 110.734 -179.83 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' B' B ' 1' ' ' ' U' . . . . . 0.401 " H2'" ' O ' ' A' ' 93' ' ' GLY . . . . . . . . 0 O4'--C4' 1.422 -2.566 2 O4'-C1'-N19 112.836 4.636 . 0.0 '__' . 0.0 . . . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 2' ' ' ' U' . . . . . 0.47 H5'' ' CZ ' ' A' ' 19' ' ' PHE . . . . . . . . 0 O4'--C4' 1.421 -2.671 1 O4'-C1'-N19 112.672 4.472 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' B' B ' 3' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.421 -2.655 0 C5'-C4'-C3' 111.982 -2.345 . 0.404 0b . 0.0 . . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' B' B ' 4' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.42 -2.725 1 O4'-C1'-N19 112.295 4.095 . 0.181 4b . 0.0 . . . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 5' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.423 -2.503 1 O4'-C1'-N19 113.237 5.037 . 0.516 2u . 0.0 . . . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.475 0.789 0 N-CA-C 110.784 -0.08 . . . . 0.0 110.784 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 36.1 t -68.96 159.12 33.32 Favored 'General case' 0 N--CA 1.456 -0.132 0 C-N-CA 122.74 0.416 . . . . 0.0 110.704 179.095 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 4' ' ' ASN . . . . . . . . . . . . . 95.3 m-20 -83.87 -4.28 58.56 Favored 'General case' 0 N--CA 1.457 -0.104 0 C-N-CA 122.251 0.22 . . . . 0.0 111.116 178.526 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 94.3 t -91.97 133.76 32.39 Favored 'Isoleucine or valine' 0 N--CA 1.456 -0.161 0 CA-C-O 120.787 0.327 . . . . 0.0 111.649 -175.143 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 72.9 p -149.72 5.55 0.6 Allowed 'General case' 0 C--O 1.225 -0.226 0 C-N-CA 124.124 0.969 . . . . 0.0 111.94 -178.355 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 7' ' ' ASN . . . . . . . . . . . . . 40.3 p30 -104.39 20.07 19.12 Favored 'General case' 0 C--N 1.341 0.198 0 N-CA-C 114.333 1.234 . . . . 0.0 114.333 -172.79 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 52.7 mtmt -64.25 140.2 58.84 Favored 'General case' 0 N--CA 1.457 -0.105 0 N-CA-C 109.677 -0.49 . . . . 0.0 109.677 177.171 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 66.9 p -111.2 14.06 21.76 Favored 'General case' 0 C--N 1.332 -0.161 0 N-CA-C 112.522 0.564 . . . . 0.0 112.522 -174.925 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 12.6 m-20 -63.92 151.04 90.38 Favored Pre-proline 0 CA--C 1.533 0.306 0 O-C-N 122.108 -0.37 . . . . 0.0 110.184 179.024 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 11' ' ' PRO . . . . . . . . . . . . . 66.2 Cg_endo -67.1 1.82 2.62 Favored 'Trans proline' 0 N--CA 1.456 -0.71 0 C-N-CA 124.224 3.283 . . . . 0.0 113.076 -174.537 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -127.71 -28.14 2.76 Favored 'General case' 0 C--N 1.339 0.138 0 CA-C-N 118.017 0.371 . . . . 0.0 110.425 176.898 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 72.9 m -79.21 -25.74 42.65 Favored 'General case' 0 N--CA 1.455 -0.185 0 CA-C-O 119.434 -0.317 . . . . 0.0 111.196 -179.696 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 14' ' ' MET . . . . . . . . . . . . . 12.7 ptm -88.28 -2.73 58.77 Favored 'General case' 0 N--CA 1.454 -0.227 0 C-N-CA 119.733 -0.787 . . . . 0.0 111.595 177.341 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 69.2 m-80 -103.36 -22.79 13.63 Favored 'General case' 0 N--CA 1.455 -0.181 0 C-N-CA 122.514 0.326 . . . . 0.0 110.547 175.208 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 81.5 p -86.35 6.24 30.95 Favored 'General case' 0 CA--C 1.531 0.245 0 C-N-CA 122.955 0.502 . . . . 0.0 110.974 171.483 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 28.9 ttp-105 -101.34 154.01 19.16 Favored 'General case' 0 N--CA 1.455 -0.215 0 C-N-CA 123.691 0.796 . . . . 0.0 109.965 177.604 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 97.5 t -128.93 131.88 67.87 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.273 0 C-N-CA 123.128 0.571 . . . . 0.0 110.081 177.323 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 23.1 t80 -89.62 135.21 33.74 Favored 'General case' 0 N--CA 1.45 -0.429 0 C-N-CA 123.668 0.787 . . . . 0.0 109.433 175.183 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 64.0 mt -122.55 85.5 0.95 Allowed 'Isoleucine or valine' 0 N--CA 1.456 -0.172 0 N-CA-C 108.101 -1.074 . . . . 0.0 108.101 179.559 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -85.18 174.14 48.96 Favored Glycine 0 CA--C 1.522 0.523 0 N-CA-C 110.821 -0.911 . . . . 0.0 110.821 178.656 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 56.0 t30 48.92 48.09 20.89 Favored 'General case' 0 CA--C 1.532 0.251 0 C-N-CA 123.114 0.566 . . . . 0.0 110.969 -178.835 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 51.6 tp -97.38 143.61 27.95 Favored 'General case' 0 N--CA 1.454 -0.237 0 C-N-CA 123.016 0.527 . . . . 0.0 109.89 179.594 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 64.2 t30 -69.85 -38.81 76.58 Favored 'General case' 0 CA--C 1.529 0.172 0 C-N-CA 121.079 -0.249 . . . . 0.0 111.454 -178.179 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 30.1 p 56.7 -4.93 0.03 OUTLIER 'General case' 0 N--CA 1.468 0.465 0 C-N-CA 126.978 2.111 . . . . 0.0 115.234 179.441 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 3.8 mm? -88.92 -16.22 32.41 Favored 'General case' 0 CA--C 1.528 0.128 0 CA-C-N 118.395 0.543 . . . . 0.0 111.37 177.979 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 48.4 t -127.17 -18.32 2.57 Favored 'Isoleucine or valine' 0 CA--C 1.528 0.099 0 C-N-CA 122.917 0.487 . . . . 0.0 110.875 179.763 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 58.2 t -110.21 139.78 32.12 Favored 'Isoleucine or valine' 0 C--N 1.339 0.119 0 O-C-N 122.182 -0.324 . . . . 0.0 110.335 178.059 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 2.9 mptp? -133.34 171.87 13.47 Favored 'General case' 0 CA--C 1.521 -0.159 0 C-N-CA 124.589 1.156 . . . . 0.0 109.688 -179.541 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 7.3 ptmm? -62.72 -10.12 11.59 Favored 'General case' 0 CA--C 1.53 0.206 0 C-N-CA 124.17 0.988 . . . . 0.0 112.517 -179.0 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 53.5 p -93.07 -15.11 26.48 Favored 'General case' 0 N--CA 1.457 -0.104 0 C-N-CA 123.431 0.692 . . . . 0.0 110.705 177.175 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 44.0 m-20 -98.12 -36.0 10.22 Favored 'General case' 0 N--CA 1.451 -0.401 0 C-N-CA 124.355 1.062 . . . . 0.0 110.316 178.079 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 71.2 t -62.39 -33.15 57.69 Favored 'Isoleucine or valine' 0 N--CA 1.456 -0.145 0 N-CA-C 109.609 -0.515 . . . . 0.0 109.609 179.05 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 24.6 pt-20 -80.45 8.31 7.95 Favored 'General case' 0 C--O 1.232 0.182 0 N-CA-C 111.916 0.339 . . . . 0.0 111.916 179.26 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -126.63 -7.67 6.24 Favored 'General case' 0 CA--C 1.53 0.206 0 C-N-CA 123.145 0.578 . . . . 0.0 111.053 176.613 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 76.3 mt -109.43 -27.36 2.93 Favored 'Isoleucine or valine' 0 C--N 1.339 0.109 0 C-N-CA 123.125 0.57 . . . . 0.0 110.287 179.174 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 37' ' ' PHE . . . . . . . . . . . . . 69.0 m-85 -103.65 -8.0 20.28 Favored 'General case' 0 N--CA 1.454 -0.26 0 C-N-CA 122.625 0.37 . . . . 0.0 110.869 179.881 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 25.2 t -74.34 -13.17 60.71 Favored 'General case' 0 CA--C 1.53 0.186 0 CA-C-O 120.701 0.286 . . . . 0.0 111.125 -178.901 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 13.3 ptmm? -81.52 -11.13 59.29 Favored 'General case' 0 C--N 1.339 0.111 0 C-N-CA 122.916 0.486 . . . . 0.0 112.013 179.345 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 40' ' ' TYR . . . . . . . . . . . . . 68.5 m-85 -107.13 -15.33 14.7 Favored 'General case' 0 C--N 1.339 0.142 0 CA-C-N 117.861 0.3 . . . . 0.0 111.421 178.804 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -176.82 160.91 28.47 Favored Glycine 0 C--N 1.333 0.384 0 N-CA-C 112.033 -0.427 . . . . 0.0 112.033 174.865 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 77.3 tttt -71.57 115.76 11.13 Favored 'General case' 0 N--CA 1.453 -0.309 0 N-CA-C 108.977 -0.749 . . . . 0.0 108.977 177.977 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 43' ' ' ILE . . . . . . . . . . . . . 77.6 mt -83.58 129.32 37.72 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.201 0 N-CA-C 109.756 -0.461 . . . . 0.0 109.756 -178.954 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 34.1 m -109.6 -8.11 11.35 Favored 'Isoleucine or valine' 0 C--O 1.231 0.114 0 C-N-CA 123.051 0.541 . . . . 0.0 110.757 178.865 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . -167.21 147.93 12.48 Favored Glycine 0 CA--C 1.522 0.501 0 N-CA-C 109.878 -1.289 . . . . 0.0 109.878 177.895 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 46' ' ' CYS . . . . . . . . . . . . . 21.6 p -150.53 150.92 31.88 Favored 'General case' 0 N--CA 1.452 -0.349 0 O-C-N 122.332 -0.51 . . . . 0.0 110.056 179.876 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 91.7 p -156.47 143.65 18.95 Favored 'General case' 0 N--CA 1.451 -0.393 0 N-CA-C 109.942 -0.392 . . . . 0.0 109.942 175.929 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 48' ' ' VAL . . . . . . . . . . . . . 87.3 t -120.61 146.1 26.01 Favored 'Isoleucine or valine' 0 C--O 1.232 0.14 0 N-CA-C 109.104 -0.702 . . . . 0.0 109.104 174.144 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 49' ' ' HIS . . . . . . . . . . . . . 43.5 m-70 -135.17 -168.98 2.28 Favored 'General case' 0 N--CA 1.451 -0.425 0 C-N-CA 124.417 1.087 . . . . 0.0 108.236 -176.093 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 38.5 mtmm -84.72 117.05 23.57 Favored 'General case' 0 N--CA 1.452 -0.374 0 O-C-N 121.787 -0.571 . . . . 0.0 109.966 177.605 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 79.82 -8.84 47.85 Favored Glycine 0 CA--C 1.531 1.093 0 CA-C-O 119.186 -0.786 . . . . 0.0 113.848 177.849 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 53.6 p90 -150.38 168.56 23.76 Favored 'General case' 0 CA--C 1.529 0.143 0 CA-C-N 118.86 1.33 . . . . 0.0 111.442 178.664 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -147.63 171.77 15.09 Favored 'General case' 0 N--CA 1.456 -0.172 0 C-N-CA 124.311 1.044 . . . . 0.0 110.312 176.123 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 54' ' ' PHE . . . . . . . . . . . . . 15.3 m-85 -140.14 146.62 39.04 Favored 'General case' 0 N--CA 1.454 -0.24 0 C-N-CA 123.585 0.754 . . . . 0.0 110.53 179.268 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 99.0 t -135.19 137.88 49.57 Favored 'Isoleucine or valine' 0 CA--C 1.517 -0.29 0 C-N-CA 123.63 0.772 . . . . 0.0 109.164 178.301 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 56' ' ' GLN . . . . . . . . . . . . . 60.4 tp60 -118.04 129.8 55.78 Favored 'General case' 0 N--CA 1.445 -0.678 0 N-CA-C 109.315 -0.624 . . . . 0.0 109.315 -176.31 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 57' ' ' TYR . . . . . . . . . . . . . 44.3 m-85 -112.33 176.83 4.85 Favored 'General case' 0 N--CA 1.455 -0.214 0 C-N-CA 123.516 0.726 . . . . 0.0 110.971 -179.281 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 58' ' ' VAL . . . . . . . . . . . . . 73.6 t -72.67 -30.71 34.46 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.193 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.329 178.787 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 59' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -156.35 170.7 21.68 Favored 'General case' 0 CA--C 1.529 0.169 0 N-CA-C 112.23 0.456 . . . . 0.0 112.23 178.178 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 78.1 tt0 -60.72 -30.63 70.09 Favored 'General case' 0 N--CA 1.457 -0.092 0 C-N-CA 123.588 0.755 . . . . 0.0 112.181 -177.719 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 24.8 tpt180 -58.33 -39.54 79.71 Favored 'General case' 0 C--N 1.339 0.115 0 CA-C-N 119.039 0.836 . . . . 0.0 109.862 179.401 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 62' ' ' ASN . . . . . . . . . . . . . 20.2 m120 -71.27 -25.06 62.3 Favored 'General case' 0 N--CA 1.45 -0.432 0 C-N-CA 120.711 -0.396 . . . . 0.0 111.122 -179.598 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -74.88 -38.37 61.93 Favored 'General case' 0 N--CA 1.453 -0.277 0 N-CA-C 110.473 -0.195 . . . . 0.0 110.473 177.923 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 64' ' ' ARG . . . . . . . . . . . . . 37.7 mmt180 -68.78 -26.57 65.28 Favored 'General case' 0 N--CA 1.457 -0.084 0 O-C-N 122.381 -0.199 . . . . 0.0 110.538 179.342 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -79.32 -32.79 43.51 Favored 'General case' 0 N--CA 1.452 -0.362 0 C-N-CA 122.005 0.122 . . . . 0.0 110.913 -178.943 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -83.53 -34.06 25.34 Favored 'General case' 0 N--CA 1.453 -0.277 0 O-C-N 122.267 -0.271 . . . . 0.0 111.437 179.231 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 67' ' ' VAL . . . . . . . . . . . . . 49.7 t -65.71 -32.48 58.38 Favored 'Isoleucine or valine' 0 N--CA 1.456 -0.129 0 N-CA-C 109.962 -0.385 . . . . 0.0 109.962 175.302 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -93.49 -10.27 35.52 Favored 'General case' 0 CA--C 1.529 0.166 0 N-CA-C 112.049 0.389 . . . . 0.0 112.049 178.282 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . -101.78 -14.22 30.01 Favored Glycine 0 CA--C 1.528 0.898 0 CA-C-O 119.396 -0.669 . . . . 0.0 113.894 -177.687 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 42.2 mm-40 -132.58 -19.3 2.4 Favored 'General case' 0 N--CA 1.465 0.3 0 CA-C-N 118.548 1.174 . . . . 0.0 112.375 -174.093 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 20.9 t70 -61.59 118.3 6.88 Favored 'General case' 0 N--CA 1.454 -0.236 0 O-C-N 121.288 -0.883 . . . . 0.0 109.986 178.243 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . 87.28 10.35 71.31 Favored Glycine 0 C--N 1.336 0.567 0 N-CA-C 111.017 -0.833 . . . . 0.0 111.017 179.132 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 73' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -75.6 169.69 17.61 Favored 'General case' 0 N--CA 1.451 -0.411 0 N-CA-C 106.419 -1.697 . . . . 0.0 106.419 171.563 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 74' ' ' MET . . . . . . . . . . . . . 33.4 ttm -115.63 121.32 42.22 Favored 'General case' 0 N--CA 1.449 -0.511 0 N-CA-C 109.23 -0.656 . . . . 0.0 109.23 -177.197 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 75' ' ' ILE . . . . . . . . . . . . . 0.2 OUTLIER -128.39 135.65 62.04 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.352 0 CA-C-N 115.976 -0.556 . . . . 0.0 109.542 179.664 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . 54.81 17.9 1.95 Allowed 'General case' 0 CA--C 1.535 0.366 0 C-N-CA 123.198 0.599 . . . . 0.0 112.22 -174.413 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 89.08 5.02 73.87 Favored Glycine 0 CA--C 1.528 0.879 0 CA-C-O 119.623 -0.543 . . . . 0.0 111.998 -179.186 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 78' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -125.16 131.67 53.19 Favored 'General case' 0 N--CA 1.453 -0.312 0 CA-C-N 117.8 0.8 . . . . 0.0 110.251 -179.425 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 79' ' ' VAL . . . . . . . . . . . . . 50.1 t -62.94 141.74 17.68 Favored 'Isoleucine or valine' 0 N--CA 1.462 0.145 0 C-N-CA 124.402 1.081 . . . . 0.0 110.24 -178.865 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 32.3 mt -96.85 155.63 16.69 Favored 'General case' 0 C--O 1.231 0.113 0 CA-C-O 120.886 0.374 . . . . 0.0 111.059 176.612 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 81' ' ' ASP . . . . . . . . . . . . . 4.2 m-20 -123.3 99.27 6.25 Favored 'General case' 0 N--CA 1.452 -0.355 0 N-CA-C 107.741 -1.207 . . . . 0.0 107.741 176.561 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 82' ' ' ILE . . . . . . . . . . . . . 63.9 mt -113.39 141.66 28.47 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.272 0 C-N-CA 123.348 0.659 . . . . 0.0 109.967 -170.247 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 83' ' ' ASN . . . . . . . . . . . . . 52.7 t30 -154.58 157.28 38.01 Favored 'General case' 0 N--CA 1.456 -0.153 0 C-N-CA 122.664 0.386 . . . . 0.0 111.235 -175.237 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 84' ' ' LEU . . . . . . . . . . . . . 1.2 tm? -60.78 127.77 33.28 Favored 'General case' 0 N--CA 1.452 -0.34 0 N-CA-C 108.316 -0.994 . . . . 0.0 108.316 172.516 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . -63.97 0.24 0.94 Allowed 'General case' 0 CA--C 1.531 0.234 0 N-CA-C 114.76 1.393 . . . . 0.0 114.76 -172.823 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . -127.75 10.82 6.62 Favored 'General case' 0 N--CA 1.455 -0.212 0 CA-C-N 118.769 0.713 . . . . 0.0 112.132 -177.856 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 96.8 mt-10 -138.58 58.95 15.29 Favored Pre-proline 0 C--O 1.233 0.201 0 C-N-CA 122.599 0.359 . . . . 0.0 111.431 -177.479 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 88' ' ' PRO . . . . . . . . . . . . . 42.8 Cg_endo -62.01 142.85 94.11 Favored 'Trans proline' 0 N--CA 1.45 -1.033 0 C-N-CA 122.015 1.81 . . . . 0.0 108.73 177.524 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 89' ' ' LYS . . . . . 0.536 ' HG3' ' H ' ' A' ' 90' ' ' VAL . 5.6 ptpp? -141.3 -85.24 0.19 Allowed 'General case' 0 N--CA 1.454 -0.262 0 N-CA-C 111.924 0.342 . . . . 0.0 111.924 -171.574 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 90' ' ' VAL . . . . . 0.536 ' H ' ' HG3' ' A' ' 89' ' ' LYS . 7.9 m -137.62 -17.06 0.55 Allowed 'Isoleucine or valine' 0 N--CA 1.455 -0.183 0 C-N-CA 124.131 0.973 . . . . 0.0 112.039 -177.409 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 91' ' ' ASN . . . . . . . . . . . . . 39.9 m-80 -82.24 24.83 0.64 Allowed 'General case' 0 N--CA 1.453 -0.278 0 C-N-CA 123.688 0.795 . . . . 0.0 111.496 -179.879 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 92' ' ' ARG . . . . . . . . . . . . . 47.4 ttt180 -128.54 128.49 44.39 Favored 'General case' 0 N--CA 1.453 -0.325 0 N-CA-C 108.789 -0.819 . . . . 0.0 108.789 174.156 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . -167.55 -141.5 3.19 Favored Glycine 0 CA--C 1.525 0.67 0 N-CA-C 108.378 -1.889 . . . . 0.0 108.378 -179.505 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 95.1 mttt -133.1 -3.39 3.13 Favored 'General case' 0 C--O 1.233 0.2 0 CA-C-N 117.359 0.58 . . . . 0.0 111.766 177.392 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . -155.96 168.37 27.46 Favored 'General case' 0 N--CA 1.453 -0.291 0 C-N-CA 122.539 0.335 . . . . 0.0 110.576 -177.578 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . -74.59 -2.87 65.12 Favored Glycine 0 CA--C 1.529 0.963 0 CA-C-O 119.834 -0.426 . . . . 0.0 112.23 178.844 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 97' ' ' VAL . . . . . 0.474 HG22 ' H ' ' A' ' 99' ' ' ARG . 10.6 p -109.43 139.55 31.93 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.234 0 CA-C-N 117.476 0.638 . . . . 0.0 109.65 177.893 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 98' ' ' LYS . . . . . . . . . . . . . 34.9 mmtp -121.62 15.93 11.13 Favored 'General case' 0 CA--C 1.529 0.153 0 C-N-CA 123.558 0.743 . . . . 0.0 111.553 -177.256 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 99' ' ' ARG . . . . . 0.474 ' H ' HG22 ' A' ' 97' ' ' VAL . 53.0 ttt180 -103.97 171.78 7.16 Favored 'General case' 0 N--CA 1.456 -0.172 0 C-N-CA 124.235 1.014 . . . . 0.0 109.593 -179.273 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 58.2 m -63.53 -15.9 59.25 Favored 'General case' 0 CA--C 1.528 0.121 0 C-N-CA 122.446 0.298 . . . . 0.0 111.606 176.858 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 101' ' ' ALA . . . . . . . . . . . . . . . 52.41 14.1 0.35 Allowed 'General case' 0 CA--C 1.532 0.287 0 C-N-CA 124.215 1.006 . . . . 0.0 112.909 -176.968 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -149.45 2.18 0.54 Allowed 'General case' 0 CA--C 1.532 0.287 0 C-N-CA 123.208 0.603 . . . . 0.0 112.207 -178.128 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 103' ' ' GLU . . . . . 0.405 ' CD ' ' HE ' ' A' ' 99' ' ' ARG . 11.7 pt-20 -80.12 -4.01 51.16 Favored 'General case' 0 CA--C 1.529 0.157 0 O-C-N 121.986 -0.446 . . . . 0.0 112.09 -178.066 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 104' ' ' MET . . . . . . . . . . . . . 73.4 mtm -105.98 10.01 32.42 Favored 'General case' 0 CA--C 1.532 0.251 0 C-N-CA 123.776 0.831 . . . . 0.0 111.351 -179.634 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 105' ' ' TYR . . . . . . . . . . . . . 61.8 m-85 -130.77 2.82 4.46 Favored 'General case' 0 CA--C 1.529 0.146 0 C-N-CA 122.943 0.497 . . . . 0.0 111.617 -178.639 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 106' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--N 1.337 0.635 0 N-CA-C 110.516 -1.033 . . . . 0.0 110.516 179.979 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' B' B ' 1' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.42 -2.745 1 C5'-C4'-C3' 109.112 -4.259 . 0.0 '__' . 0.0 . . . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 2' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.419 -2.875 1 O4'-C1'-N19 112.868 4.668 . 0.0 OUTLIER '7D dist 4b' 0.0 . . . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 3' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.418 -2.924 0 O4'-C1'-N19 110.767 2.567 . 0.103 0b . 0.0 . . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' B' B ' 4' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.422 -2.589 1 O4'-C1'-N19 112.461 4.261 . 0.23 4b . 0.0 . . . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 5' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.416 -3.081 1 O4'-C1'-N19 112.577 4.377 . 0.283 2a . 0.0 . . . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.476 0.856 0 CA-C-O 120.643 0.259 . . . . 0.0 110.87 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 35.0 t -66.51 158.82 28.67 Favored 'General case' 0 CA--C 1.527 0.09 0 C-N-CA 122.746 0.418 . . . . 0.0 110.974 179.755 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 4' ' ' ASN . . . . . . . . . . . . . 3.4 p-10 -89.06 -0.53 57.51 Favored 'General case' 0 N--CA 1.454 -0.238 0 C-N-CA 122.953 0.501 . . . . 0.0 111.225 177.987 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 91.8 t -94.26 133.2 36.06 Favored 'Isoleucine or valine' 0 N--CA 1.456 -0.151 0 C-N-CA 122.691 0.397 . . . . 0.0 110.921 -177.005 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 65.7 p -146.98 9.78 1.0 Allowed 'General case' 0 CA--C 1.529 0.154 0 C-N-CA 123.485 0.714 . . . . 0.0 111.701 -179.85 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 7' ' ' ASN . . . . . . . . . . . . . 62.8 t-20 -122.04 107.66 12.47 Favored 'General case' 0 C--O 1.231 0.128 0 CA-C-N 118.931 0.787 . . . . 0.0 111.484 -177.727 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 53.0 mtmt -149.96 164.52 35.25 Favored 'General case' 0 CA--C 1.528 0.111 0 C-N-CA 125.849 1.66 . . . . 0.0 107.98 173.903 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 78.9 p -124.27 21.29 8.79 Favored 'General case' 0 N--CA 1.462 0.138 0 N-CA-C 112.378 0.51 . . . . 0.0 112.378 -177.231 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 23.1 m-20 -65.13 149.75 96.43 Favored Pre-proline 0 C--O 1.232 0.168 0 N-CA-C 110.217 -0.29 . . . . 0.0 110.217 177.908 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 11' ' ' PRO . . . . . . . . . . . . . 74.4 Cg_endo -67.49 1.77 2.86 Favored 'Trans proline' 0 N--CA 1.457 -0.642 0 C-N-CA 124.076 3.184 . . . . 0.0 113.252 -173.756 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -133.58 -31.84 1.18 Allowed 'General case' 0 N--CA 1.457 -0.1 0 CA-C-N 118.315 0.507 . . . . 0.0 110.731 177.343 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 18.3 m -75.23 -22.2 58.06 Favored 'General case' 0 N--CA 1.456 -0.167 0 O-C-N 122.205 -0.31 . . . . 0.0 111.776 -177.641 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 14' ' ' MET . . . . . . . . . . . . . 15.8 ptm -91.05 -0.92 57.84 Favored 'General case' 0 CA--C 1.533 0.303 0 CA-C-N 118.593 0.633 . . . . 0.0 111.759 176.107 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 38.9 m-80 -106.17 -18.04 14.13 Favored 'General case' 0 CA--C 1.531 0.241 0 C-N-CA 122.817 0.447 . . . . 0.0 110.652 177.299 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 77.8 p -90.21 12.6 17.57 Favored 'General case' 0 N--CA 1.454 -0.236 0 C-N-CA 123.703 0.801 . . . . 0.0 110.948 170.736 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 36.6 ttm180 -106.04 154.19 20.97 Favored 'General case' 0 C--O 1.232 0.169 0 C-N-CA 124.459 1.104 . . . . 0.0 110.271 -179.108 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 87.5 t -130.06 132.43 65.4 Favored 'Isoleucine or valine' 0 N--CA 1.456 -0.155 0 CA-C-O 120.752 0.31 . . . . 0.0 110.295 177.42 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 25.6 t80 -93.16 132.53 37.22 Favored 'General case' 0 N--CA 1.452 -0.372 0 C-N-CA 123.97 0.908 . . . . 0.0 109.011 175.622 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 63.1 mt -120.69 85.59 0.93 Allowed 'Isoleucine or valine' 0 N--CA 1.454 -0.229 0 N-CA-C 108.039 -1.097 . . . . 0.0 108.039 -179.374 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -84.34 174.53 50.66 Favored Glycine 0 CA--C 1.523 0.59 0 N-CA-C 110.75 -0.94 . . . . 0.0 110.75 178.423 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 62.3 t30 48.62 47.79 20.34 Favored 'General case' 0 CA--C 1.53 0.187 0 C-N-CA 123.143 0.577 . . . . 0.0 111.207 -179.002 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 52.7 tp -99.72 145.05 28.09 Favored 'General case' 0 N--CA 1.453 -0.296 0 N-CA-C 109.269 -0.641 . . . . 0.0 109.269 179.499 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 64.8 t30 -68.71 -39.73 80.33 Favored 'General case' 0 N--CA 1.456 -0.16 0 O-C-N 122.326 -0.234 . . . . 0.0 111.019 -178.232 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 27.7 p 55.18 -0.83 0.03 OUTLIER 'General case' 0 N--CA 1.465 0.298 0 C-N-CA 126.904 2.081 . . . . 0.0 115.503 178.521 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 79.2 mt -89.45 -20.69 23.6 Favored 'General case' 0 N--CA 1.453 -0.314 0 C-N-CA 123.558 0.743 . . . . 0.0 111.748 175.634 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 60.9 t -120.87 -26.67 2.17 Favored 'Isoleucine or valine' 0 N--CA 1.462 0.127 0 C-N-CA 122.776 0.43 . . . . 0.0 111.374 -178.516 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 51.4 t -101.46 146.44 9.79 Favored 'Isoleucine or valine' 0 CA--C 1.527 0.087 0 CA-C-N 117.989 0.359 . . . . 0.0 110.092 179.602 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 8.1 mptt -134.98 171.46 14.39 Favored 'General case' 0 C--O 1.227 -0.098 0 C-N-CA 123.432 0.693 . . . . 0.0 110.294 -178.332 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 5.8 ptmm? -65.35 -6.75 10.85 Favored 'General case' 0 CA--C 1.529 0.147 0 C-N-CA 123.902 0.881 . . . . 0.0 112.01 178.818 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 40.9 m -98.72 -0.15 43.37 Favored 'General case' 0 CA--C 1.529 0.163 0 C-N-CA 123.509 0.723 . . . . 0.0 110.704 175.255 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 21.7 m-20 -115.84 -34.27 4.85 Favored 'General case' 0 N--CA 1.453 -0.312 0 C-N-CA 124.026 0.93 . . . . 0.0 110.343 179.939 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 84.7 t -65.37 -31.02 52.02 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.202 0 N-CA-C 108.819 -0.808 . . . . 0.0 108.819 178.643 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 25.4 pt-20 -79.6 8.61 6.17 Favored 'General case' 0 CA--C 1.532 0.257 0 N-CA-C 111.844 0.312 . . . . 0.0 111.844 177.875 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -126.97 -8.14 6.02 Favored 'General case' 0 N--CA 1.455 -0.217 0 C-N-CA 123.331 0.652 . . . . 0.0 111.147 176.911 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 74.6 mt -108.91 -27.56 2.91 Favored 'Isoleucine or valine' 0 C--N 1.339 0.124 0 C-N-CA 123.284 0.634 . . . . 0.0 110.375 178.671 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 37' ' ' PHE . . . . . . . . . . . . . 57.4 m-85 -102.83 -8.82 20.46 Favored 'General case' 0 N--CA 1.453 -0.307 0 C-N-CA 122.66 0.384 . . . . 0.0 110.784 -179.84 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 69.1 p -72.63 -15.15 61.73 Favored 'General case' 0 C--N 1.335 -0.058 0 C-N-CA 122.646 0.378 . . . . 0.0 111.535 -178.749 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 18.5 ptmt -80.02 -11.69 59.76 Favored 'General case' 0 N--CA 1.457 -0.125 0 C-N-CA 123.054 0.541 . . . . 0.0 112.342 179.011 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 40' ' ' TYR . . . . . . . . . . . . . 70.1 m-85 -105.68 -16.06 14.79 Favored 'General case' 0 C--O 1.233 0.208 0 C-N-CA 122.426 0.29 . . . . 0.0 111.308 178.125 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -175.74 161.66 30.53 Favored Glycine 0 CA--C 1.524 0.611 0 N-CA-C 111.864 -0.494 . . . . 0.0 111.864 174.319 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 78.1 tttt -71.65 114.83 10.14 Favored 'General case' 0 N--CA 1.452 -0.35 0 N-CA-C 108.72 -0.844 . . . . 0.0 108.72 177.52 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 43' ' ' ILE . . . . . . . . . . . . . 75.8 mt -84.05 129.84 36.91 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.26 0 N-CA-C 109.515 -0.55 . . . . 0.0 109.515 -178.536 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 33.6 m -108.89 -6.01 10.92 Favored 'Isoleucine or valine' 0 C--O 1.231 0.119 0 C-N-CA 123.293 0.637 . . . . 0.0 110.766 178.923 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . -170.0 146.25 9.82 Favored Glycine 0 CA--C 1.526 0.761 0 N-CA-C 109.961 -1.256 . . . . 0.0 109.961 177.517 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 46' ' ' CYS . . . . . . . . . . . . . 42.5 t -151.1 146.26 26.04 Favored 'General case' 0 N--CA 1.451 -0.395 0 CA-C-N 116.914 0.357 . . . . 0.0 110.254 -179.135 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 92.5 p -152.06 150.65 30.17 Favored 'General case' 0 N--CA 1.451 -0.395 0 CA-C-O 121.022 0.439 . . . . 0.0 110.096 177.204 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 48' ' ' VAL . . . . . . . . . . . . . 97.5 t -128.42 149.14 32.97 Favored 'Isoleucine or valine' 0 N--CA 1.456 -0.136 0 N-CA-C 108.617 -0.882 . . . . 0.0 108.617 175.534 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 49' ' ' HIS . . . . . . . . . . . . . 48.6 m-70 -136.02 -160.18 1.03 Allowed 'General case' 0 N--CA 1.451 -0.422 0 N-CA-C 107.961 -1.126 . . . . 0.0 107.961 -176.468 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 29.3 mmmt -97.15 117.81 32.18 Favored 'General case' 0 N--CA 1.456 -0.172 0 O-C-N 121.668 -0.645 . . . . 0.0 109.801 175.969 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 83.85 -9.39 62.95 Favored Glycine 0 CA--C 1.531 1.069 0 C-N-CA 123.627 0.632 . . . . 0.0 113.188 179.4 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 44.7 p90 -153.92 170.14 21.75 Favored 'General case' 0 C--O 1.232 0.138 0 CA-C-N 118.566 1.183 . . . . 0.0 111.919 179.488 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -148.75 172.32 14.8 Favored 'General case' 0 CA--C 1.531 0.224 0 C-N-CA 124.085 0.954 . . . . 0.0 110.06 176.256 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 54' ' ' PHE . . . . . . . . . . . . . 7.6 m-85 -139.67 148.88 43.01 Favored 'General case' 0 N--CA 1.455 -0.193 0 C-N-CA 123.325 0.65 . . . . 0.0 110.647 179.034 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 99.4 t -135.67 149.18 28.04 Favored 'Isoleucine or valine' 0 CA--C 1.519 -0.238 0 C-N-CA 123.938 0.895 . . . . 0.0 108.862 177.558 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 56' ' ' GLN . . . . . . . . . . . . . 65.1 tp60 -129.28 131.68 47.03 Favored 'General case' 0 N--CA 1.451 -0.4 0 N-CA-C 109.2 -0.667 . . . . 0.0 109.2 -178.689 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 57' ' ' TYR . . . . . . . . . . . . . 45.0 m-85 -114.74 176.29 5.12 Favored 'General case' 0 N--CA 1.457 -0.103 0 C-N-CA 123.467 0.707 . . . . 0.0 110.801 -179.003 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 58' ' ' VAL . . . . . . . . . . . . . 72.1 t -72.12 -31.23 39.05 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.357 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.056 178.116 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 59' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -155.78 168.53 26.91 Favored 'General case' 0 N--CA 1.454 -0.27 0 N-CA-C 112.302 0.482 . . . . 0.0 112.302 178.133 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 76.7 tt0 -58.19 -31.49 67.35 Favored 'General case' 0 CA--C 1.529 0.165 0 C-N-CA 123.952 0.901 . . . . 0.0 112.249 -178.678 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 19.2 tpp180 -59.13 -38.76 80.43 Favored 'General case' 0 C--O 1.23 0.065 0 CA-C-N 118.864 0.757 . . . . 0.0 110.124 -179.694 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 62' ' ' ASN . . . . . . . . . . . . . 19.4 m120 -71.29 -24.95 62.25 Favored 'General case' 0 N--CA 1.451 -0.405 0 C-N-CA 121.058 -0.257 . . . . 0.0 110.868 179.839 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -76.13 -37.21 58.32 Favored 'General case' 0 N--CA 1.455 -0.211 0 N-CA-C 110.045 -0.354 . . . . 0.0 110.045 178.473 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 64' ' ' ARG . . . . . . . . . . . . . 39.6 mmt180 -67.49 -28.12 67.58 Favored 'General case' 0 C--O 1.23 0.054 0 N-CA-C 109.86 -0.422 . . . . 0.0 109.86 178.283 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -77.81 -33.09 52.63 Favored 'General case' 0 N--CA 1.453 -0.315 0 CA-C-N 117.524 0.147 . . . . 0.0 110.873 -178.833 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -83.5 -34.95 25.22 Favored 'General case' 0 N--CA 1.452 -0.336 0 N-CA-C 111.632 0.234 . . . . 0.0 111.632 179.693 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 67' ' ' VAL . . . . . . . . . . . . . 51.8 t -65.58 -30.7 50.96 Favored 'Isoleucine or valine' 0 C--O 1.227 -0.088 0 N-CA-C 110.019 -0.363 . . . . 0.0 110.019 175.805 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -95.51 -10.07 30.74 Favored 'General case' 0 CA--C 1.531 0.219 0 N-CA-C 112.156 0.428 . . . . 0.0 112.156 177.917 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . -101.71 -14.03 30.68 Favored Glycine 0 CA--C 1.529 0.949 0 CA-C-O 119.175 -0.791 . . . . 0.0 113.87 -177.673 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 41.0 mm-40 -132.37 -18.96 2.49 Favored 'General case' 0 N--CA 1.463 0.188 0 CA-C-N 118.654 1.227 . . . . 0.0 112.116 -174.194 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 20.6 t70 -61.59 117.95 6.43 Favored 'General case' 0 N--CA 1.455 -0.188 0 O-C-N 121.337 -0.852 . . . . 0.0 110.008 178.579 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . 87.4 9.7 72.16 Favored Glycine 0 C--N 1.338 0.649 0 N-CA-C 111.271 -0.732 . . . . 0.0 111.271 179.636 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 73' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -75.19 169.67 17.56 Favored 'General case' 0 N--CA 1.451 -0.407 0 N-CA-C 106.555 -1.646 . . . . 0.0 106.555 171.175 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 74' ' ' MET . . . . . . . . . . . . . 34.3 ttm -115.28 121.56 43.26 Favored 'General case' 0 N--CA 1.448 -0.563 0 N-CA-C 109.404 -0.591 . . . . 0.0 109.404 -177.12 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 75' ' ' ILE . . . . . . . . . . . . . 0.2 OUTLIER -129.14 136.35 59.8 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.286 0 N-CA-C 109.396 -0.594 . . . . 0.0 109.396 179.544 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . 54.31 17.88 1.67 Allowed 'General case' 0 CA--C 1.532 0.262 0 C-N-CA 123.146 0.578 . . . . 0.0 112.143 -174.088 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 88.68 4.53 75.93 Favored Glycine 0 CA--C 1.527 0.808 0 CA-C-O 119.64 -0.533 . . . . 0.0 112.079 -179.369 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 78' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -124.05 131.57 53.57 Favored 'General case' 0 N--CA 1.452 -0.366 0 CA-C-N 117.711 0.756 . . . . 0.0 110.151 -179.371 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 79' ' ' VAL . . . . . . . . . . . . . 51.2 t -63.59 140.92 18.87 Favored 'Isoleucine or valine' 0 N--CA 1.46 0.069 0 C-N-CA 123.985 0.914 . . . . 0.0 110.542 -178.915 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 31.0 mt -94.92 157.39 15.93 Favored 'General case' 0 C--O 1.23 0.042 0 CA-C-O 120.896 0.379 . . . . 0.0 111.437 177.354 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 81' ' ' ASP . . . . . . . . . . . . . 38.6 t70 -124.05 101.01 7.0 Favored 'General case' 0 N--CA 1.453 -0.287 0 N-CA-C 107.796 -1.187 . . . . 0.0 107.796 175.887 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 82' ' ' ILE . . . . . . . . . . . . . 62.6 mt -114.96 138.79 44.1 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.238 0 C-N-CA 122.725 0.41 . . . . 0.0 110.397 -170.83 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 83' ' ' ASN . . . . . . . . . . . . . 6.1 t30 -154.01 158.02 39.96 Favored 'General case' 0 N--CA 1.454 -0.231 0 C-N-CA 123.15 0.58 . . . . 0.0 109.594 -175.863 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 84' ' ' LEU . . . . . . . . . . . . . 9.7 tp -61.5 143.49 55.84 Favored 'General case' 0 N--CA 1.45 -0.442 0 O-C-N 121.697 -0.627 . . . . 0.0 109.832 174.886 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . -70.93 -2.18 14.32 Favored 'General case' 0 CA--C 1.532 0.288 0 N-CA-C 113.159 0.8 . . . . 0.0 113.159 -177.098 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . -129.16 8.31 5.56 Favored 'General case' 0 N--CA 1.457 -0.112 0 CA-C-N 118.475 0.579 . . . . 0.0 112.523 -175.818 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 96.6 mt-10 -138.44 54.38 6.87 Favored Pre-proline 0 CA--C 1.529 0.139 0 C-N-CA 122.683 0.393 . . . . 0.0 111.182 -179.462 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 88' ' ' PRO . . . . . . . . . . . . . 55.7 Cg_endo -63.0 153.84 71.03 Favored 'Trans proline' 0 N--CA 1.451 -1.026 0 C-N-CA 122.429 2.086 . . . . 0.0 109.358 177.715 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 89' ' ' LYS . . . . . 0.431 ' HG3' ' H ' ' A' ' 90' ' ' VAL . 15.3 ptpt -130.64 -102.62 0.29 Allowed 'General case' 0 N--CA 1.451 -0.397 0 CA-C-N 115.973 -0.558 . . . . 0.0 111.473 -172.929 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 90' ' ' VAL . . . . . 0.431 ' H ' ' HG3' ' A' ' 89' ' ' LYS . 5.0 m -135.93 -16.86 0.7 Allowed 'Isoleucine or valine' 0 C--N 1.333 -0.122 0 C-N-CA 123.414 0.685 . . . . 0.0 112.44 -175.59 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 91' ' ' ASN . . . . . . . . . . . . . 21.0 m120 -77.67 -5.21 49.66 Favored 'General case' 0 N--CA 1.454 -0.26 0 N-CA-C 112.356 0.502 . . . . 0.0 112.356 -176.136 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 92' ' ' ARG . . . . . . . . . . . . . 64.8 ttp85 -77.9 87.23 4.1 Favored 'General case' 0 N--CA 1.454 -0.228 0 N-CA-C 109.447 -0.575 . . . . 0.0 109.447 179.152 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . -105.23 -138.99 9.63 Favored Glycine 0 N--CA 1.449 -0.44 0 N-CA-C 109.414 -1.474 . . . . 0.0 109.414 177.039 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 95.1 mttt -140.1 -18.18 0.92 Allowed 'General case' 0 CA--C 1.528 0.117 0 N-CA-C 112.868 0.692 . . . . 0.0 112.868 179.174 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . -157.98 153.98 26.99 Favored 'General case' 0 N--CA 1.453 -0.298 0 CA-C-N 118.178 0.445 . . . . 0.0 110.59 -179.839 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . -83.65 -10.81 80.92 Favored Glycine 0 CA--C 1.526 0.737 0 N-CA-C 111.635 -0.586 . . . . 0.0 111.635 177.258 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 97' ' ' VAL . . . . . 0.463 HG22 ' H ' ' A' ' 99' ' ' ARG . 13.1 p -108.17 140.36 26.93 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.194 0 N-CA-C 108.893 -0.78 . . . . 0.0 108.893 176.35 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 98' ' ' LYS . . . . . . . . . . . . . 71.9 mmtt -110.46 24.81 12.5 Favored 'General case' 0 C--O 1.231 0.083 0 C-N-CA 123.388 0.675 . . . . 0.0 110.777 -176.806 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 99' ' ' ARG . . . . . 0.463 ' H ' HG22 ' A' ' 97' ' ' VAL . 16.6 tpp180 -138.89 170.47 15.93 Favored 'General case' 0 N--CA 1.452 -0.35 0 C-N-CA 124.063 0.945 . . . . 0.0 109.96 -177.017 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 74.5 m -64.89 -14.24 59.06 Favored 'General case' 0 N--CA 1.456 -0.175 0 C-N-CA 123.386 0.674 . . . . 0.0 112.185 178.868 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 101' ' ' ALA . . . . . . . . . . . . . . . 53.12 15.76 0.66 Allowed 'General case' 0 CA--C 1.533 0.326 0 C-N-CA 123.829 0.851 . . . . 0.0 112.596 -175.764 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -148.94 15.68 0.94 Allowed 'General case' 0 CA--C 1.531 0.215 0 C-N-CA 123.564 0.745 . . . . 0.0 110.822 -178.337 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 20.9 pt-20 -69.62 -5.44 24.7 Favored 'General case' 0 CA--C 1.531 0.222 0 N-CA-C 112.531 0.567 . . . . 0.0 112.531 -176.565 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 104' ' ' MET . . . . . . . . . . . . . 73.8 mtm -105.16 7.15 33.62 Favored 'General case' 0 CA--C 1.528 0.107 0 C-N-CA 123.515 0.726 . . . . 0.0 111.17 178.839 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 105' ' ' TYR . . . . . . . . . . . . . 59.1 m-85 -133.73 4.08 3.57 Favored 'General case' 0 CA--C 1.53 0.209 0 C-N-CA 123.196 0.598 . . . . 0.0 111.77 -177.988 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 106' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--N 1.34 0.758 0 N-CA-C 110.494 -1.043 . . . . 0.0 110.494 179.766 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' B' B ' 1' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.421 -2.671 0 O4'-C1'-N19 111.905 3.705 . 0.0 '__' . 0.0 . . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' B' B ' 2' ' ' ' U' . . . . . 0.446 " H4'" " H5'" ' B' ' 3' ' ' ' U' . . . . . . . . 0 O4'--C4' 1.421 -2.666 1 O4'-C1'-N19 112.645 4.445 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' B' B ' 3' ' ' ' U' . . . . . 0.446 " H5'" " H4'" ' B' ' 2' ' ' ' U' . . . . . . . . 0 O4'--C4' 1.422 -2.612 0 C5'-C4'-C3' 110.919 -3.054 . 0.26 0b . 0.0 . . . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 4' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.421 -2.665 1 O4'-C1'-N19 112.795 4.595 . 0.146 4b . 0.0 . . . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 5' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.423 -2.47 2 O4'-C1'-N19 115.583 7.383 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.474 0.76 0 CA-C-O 120.361 0.124 . . . . 0.0 110.848 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 36.7 t -67.84 160.45 28.33 Favored 'General case' 0 N--CA 1.457 -0.103 0 C-N-CA 123.233 0.613 . . . . 0.0 110.743 179.669 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 4' ' ' ASN . . . . . . . . . . . . . 88.9 m-20 -86.34 -4.39 59.16 Favored 'General case' 0 CA--C 1.53 0.192 0 C-N-CA 122.837 0.455 . . . . 0.0 110.979 178.871 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 84.8 t -88.98 131.09 37.19 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.277 0 CA-C-O 120.681 0.277 . . . . 0.0 111.425 -175.782 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 67.3 p -146.28 10.25 1.12 Allowed 'General case' 0 C--O 1.225 -0.19 0 CA-C-N 115.726 -0.67 . . . . 0.0 111.45 179.355 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 7' ' ' ASN . . . . . . . . . . . . . 61.4 t-20 -115.95 102.55 9.76 Favored 'General case' 0 C--O 1.232 0.154 0 CA-C-N 119.458 1.026 . . . . 0.0 111.127 -178.37 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 55.0 mtmt -145.02 149.4 35.05 Favored 'General case' 0 C--N 1.333 -0.118 0 C-N-CA 124.863 1.265 . . . . 0.0 108.425 175.992 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 69.3 p -117.01 15.81 15.09 Favored 'General case' 0 C--N 1.33 -0.267 0 N-CA-C 112.619 0.6 . . . . 0.0 112.619 -173.965 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 14.2 m-20 -63.57 148.63 93.7 Favored Pre-proline 0 N--CA 1.454 -0.237 0 N-CA-C 109.877 -0.416 . . . . 0.0 109.877 177.498 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 11' ' ' PRO . . . . . . . . . . . . . 64.0 Cg_endo -66.11 -2.38 6.78 Favored 'Trans proline' 0 N--CA 1.455 -0.775 0 C-N-CA 124.45 3.434 . . . . 0.0 113.221 -172.159 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -127.25 -33.07 2.42 Favored 'General case' 0 N--CA 1.461 0.094 0 CA-C-N 118.197 0.453 . . . . 0.0 110.246 178.051 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 22.6 m -72.92 -27.59 61.96 Favored 'General case' 0 N--CA 1.453 -0.317 0 O-C-N 121.901 -0.5 . . . . 0.0 111.173 -178.265 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 14' ' ' MET . . . . . . . . . . . . . 16.1 ptm -86.3 -2.85 58.76 Favored 'General case' 0 CA--C 1.531 0.236 0 CA-C-N 118.326 0.512 . . . . 0.0 111.758 177.993 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 64.8 m-80 -104.74 -17.64 14.55 Favored 'General case' 0 CA--C 1.53 0.202 0 C-N-CA 123.048 0.539 . . . . 0.0 109.835 171.586 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 18.0 m -85.92 2.69 45.07 Favored 'General case' 0 N--CA 1.455 -0.217 0 C-N-CA 123.616 0.766 . . . . 0.0 110.846 171.652 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 30.1 ttp-105 -104.85 151.72 23.48 Favored 'General case' 0 N--CA 1.454 -0.262 0 C-N-CA 123.928 0.891 . . . . 0.0 109.287 178.176 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 82.3 t -126.09 129.96 72.19 Favored 'Isoleucine or valine' 0 N--CA 1.449 -0.498 0 C-N-CA 123.234 0.613 . . . . 0.0 109.608 178.518 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 19.2 t80 -92.46 133.85 35.51 Favored 'General case' 0 N--CA 1.451 -0.39 0 CA-C-N 115.234 -0.894 . . . . 0.0 108.981 175.949 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 58.7 mt -121.52 83.89 0.83 Allowed 'Isoleucine or valine' 0 CA--C 1.52 -0.187 0 N-CA-C 107.865 -1.161 . . . . 0.0 107.865 -178.69 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -85.92 173.47 47.0 Favored Glycine 0 CA--C 1.523 0.582 0 N-CA-C 111.045 -0.822 . . . . 0.0 111.045 178.968 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 6.7 t30 51.16 43.5 29.14 Favored 'General case' 0 CA--C 1.531 0.239 0 C-N-CA 123.115 0.566 . . . . 0.0 110.364 179.894 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 60.0 tp -97.37 146.9 24.72 Favored 'General case' 0 CA--C 1.529 0.172 0 C-N-CA 124.265 1.026 . . . . 0.0 109.416 -179.723 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 64.2 t30 -68.97 -42.77 76.13 Favored 'General case' 0 N--CA 1.455 -0.211 0 O-C-N 122.147 -0.346 . . . . 0.0 110.789 -177.91 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 33.5 p 57.32 -4.08 0.04 OUTLIER 'General case' 0 N--CA 1.465 0.296 0 C-N-CA 126.958 2.103 . . . . 0.0 115.155 179.66 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 68.2 mt -83.43 -22.59 32.61 Favored 'General case' 0 N--CA 1.453 -0.324 0 O-C-N 121.894 -0.504 . . . . 0.0 111.97 174.923 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 62.1 t -121.02 -25.46 2.48 Favored 'Isoleucine or valine' 0 CA--C 1.529 0.139 0 C-N-CA 122.777 0.431 . . . . 0.0 111.747 -177.679 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 59.3 t -99.68 146.34 8.95 Favored 'Isoleucine or valine' 0 N--CA 1.461 0.118 0 CA-C-N 118.218 0.463 . . . . 0.0 110.66 179.948 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 8.2 mptt -135.61 171.45 14.43 Favored 'General case' 0 CA--C 1.521 -0.152 0 C-N-CA 123.536 0.735 . . . . 0.0 109.839 -178.764 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 7.3 ptmm? -65.21 -8.1 15.87 Favored 'General case' 0 C--N 1.332 -0.195 0 C-N-CA 124.27 1.028 . . . . 0.0 112.291 179.755 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 47.7 p -94.3 -13.22 26.69 Favored 'General case' 0 C--N 1.333 -0.124 0 C-N-CA 123.631 0.772 . . . . 0.0 110.498 176.149 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 42.8 m-20 -100.65 -35.06 9.62 Favored 'General case' 0 N--CA 1.452 -0.334 0 C-N-CA 124.491 1.117 . . . . 0.0 110.785 178.314 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 93.2 t -65.3 -31.71 55.06 Favored 'Isoleucine or valine' 0 N--CA 1.456 -0.152 0 N-CA-C 109.235 -0.654 . . . . 0.0 109.235 179.541 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 26.5 pt-20 -80.67 9.28 6.38 Favored 'General case' 0 CA--C 1.531 0.219 0 C-N-CA 122.33 0.252 . . . . 0.0 111.652 178.061 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -127.4 -7.1 5.82 Favored 'General case' 0 CA--C 1.532 0.258 0 C-N-CA 123.474 0.71 . . . . 0.0 111.049 176.143 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 74.4 mt -111.48 -27.76 2.74 Favored 'Isoleucine or valine' 0 C--N 1.34 0.178 0 C-N-CA 123.047 0.539 . . . . 0.0 110.501 178.901 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 37' ' ' PHE . . . . . . . . . . . . . 65.2 m-85 -104.24 -5.62 21.71 Favored 'General case' 0 N--CA 1.454 -0.234 0 C-N-CA 122.76 0.424 . . . . 0.0 110.988 179.513 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 68.5 p -76.68 -14.32 59.97 Favored 'General case' 0 CA--C 1.53 0.178 0 C-N-CA 122.684 0.394 . . . . 0.0 111.611 179.855 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 13.1 ptmm? -82.51 -10.91 58.81 Favored 'General case' 0 CA--C 1.528 0.121 0 C-N-CA 123.078 0.551 . . . . 0.0 112.119 178.813 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 40' ' ' TYR . . . . . . . . . . . . . 83.9 m-85 -106.07 -14.86 15.04 Favored 'General case' 0 C--O 1.233 0.187 0 C-N-CA 122.677 0.391 . . . . 0.0 111.41 177.556 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -176.78 164.27 33.73 Favored Glycine 0 C--N 1.335 0.491 0 N-CA-C 112.303 -0.319 . . . . 0.0 112.303 174.521 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 79.1 tttt -74.65 112.99 11.4 Favored 'General case' 0 N--CA 1.451 -0.386 0 N-CA-C 109.132 -0.692 . . . . 0.0 109.132 177.658 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 43' ' ' ILE . . . . . . . . . . . . . 76.7 mt -83.45 128.62 38.61 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.192 0 N-CA-C 109.66 -0.496 . . . . 0.0 109.66 -178.153 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 34.5 m -107.16 -8.53 10.68 Favored 'Isoleucine or valine' 0 C--O 1.23 0.051 0 C-N-CA 123.368 0.667 . . . . 0.0 110.608 178.883 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . -169.71 147.29 10.77 Favored Glycine 0 CA--C 1.527 0.791 0 N-CA-C 110.383 -1.087 . . . . 0.0 110.383 177.685 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 46' ' ' CYS . . . . . . . . . . . . . 54.1 t -152.3 144.21 23.71 Favored 'General case' 0 N--CA 1.451 -0.42 0 N-CA-C 109.668 -0.493 . . . . 0.0 109.668 178.401 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 32.5 t -151.1 134.54 16.22 Favored 'General case' 0 N--CA 1.451 -0.395 0 N-CA-C 109.615 -0.513 . . . . 0.0 109.615 177.112 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 48' ' ' VAL . . . . . . . . . . . . . 86.9 t -109.84 147.92 13.85 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.19 0 N-CA-C 109.262 -0.644 . . . . 0.0 109.262 178.223 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 49' ' ' HIS . . . . . . . . . . . . . 54.2 m-70 -134.26 -168.34 2.12 Favored 'General case' 0 N--CA 1.451 -0.423 0 N-CA-C 107.973 -1.121 . . . . 0.0 107.973 -177.353 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 98.0 mttt -86.71 118.8 26.35 Favored 'General case' 0 N--CA 1.454 -0.256 0 O-C-N 121.718 -0.613 . . . . 0.0 109.885 177.529 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 80.89 -9.52 52.16 Favored Glycine 0 CA--C 1.531 1.073 0 C-N-CA 123.636 0.636 . . . . 0.0 113.692 178.789 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 51.7 p90 -153.36 169.84 22.13 Favored 'General case' 0 N--CA 1.456 -0.174 0 CA-C-N 118.664 1.232 . . . . 0.0 111.632 179.291 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -147.98 172.21 14.57 Favored 'General case' 0 CA--C 1.531 0.24 0 C-N-CA 123.794 0.838 . . . . 0.0 110.428 177.001 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 54' ' ' PHE . . . . . . . . . . . . . 13.4 m-85 -138.93 147.31 42.13 Favored 'General case' 0 N--CA 1.454 -0.236 0 C-N-CA 123.802 0.841 . . . . 0.0 110.26 179.072 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 94.7 t -137.7 135.51 46.02 Favored 'Isoleucine or valine' 0 CA--C 1.519 -0.226 0 C-N-CA 123.887 0.875 . . . . 0.0 109.214 178.593 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 56' ' ' GLN . . . . . . . . . . . . . 66.9 tp60 -114.57 130.79 56.81 Favored 'General case' 0 N--CA 1.452 -0.37 0 N-CA-C 109.295 -0.632 . . . . 0.0 109.295 -178.666 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 57' ' ' TYR . . . . . . . . . . . . . 45.7 m-85 -111.33 173.66 6.23 Favored 'General case' 0 N--CA 1.455 -0.22 0 C-N-CA 123.385 0.674 . . . . 0.0 110.37 178.392 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 58' ' ' VAL . . . . . . . . . . . . . 62.8 t -70.5 -32.06 48.63 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.19 0 N-CA-C 110.083 -0.34 . . . . 0.0 110.083 178.438 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 59' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -154.98 166.56 33.19 Favored 'General case' 0 CA--C 1.53 0.194 0 CA-C-O 120.962 0.41 . . . . 0.0 112.093 178.86 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 77.0 tt0 -57.83 -29.69 65.14 Favored 'General case' 0 CA--C 1.529 0.172 0 C-N-CA 123.702 0.801 . . . . 0.0 112.641 -178.616 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 35.9 tpt85 -60.12 -37.5 80.23 Favored 'General case' 0 CA--C 1.528 0.123 0 CA-C-N 119.071 0.85 . . . . 0.0 110.075 179.909 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 62' ' ' ASN . . . . . . . . . . . . . 19.0 m120 -74.33 -25.09 59.33 Favored 'General case' 0 N--CA 1.452 -0.369 0 C-N-CA 120.822 -0.351 . . . . 0.0 111.104 178.871 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -76.6 -36.71 57.35 Favored 'General case' 0 N--CA 1.455 -0.224 0 N-CA-C 110.327 -0.249 . . . . 0.0 110.327 178.112 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 64' ' ' ARG . . . . . . . . . . . . . 31.6 mmt180 -69.86 -25.97 63.98 Favored 'General case' 0 N--CA 1.457 -0.078 0 C-N-CA 122.538 0.335 . . . . 0.0 110.374 178.629 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -79.29 -33.65 43.17 Favored 'General case' 0 N--CA 1.453 -0.3 0 O-C-N 122.49 -0.131 . . . . 0.0 111.083 179.225 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -80.29 -35.08 36.31 Favored 'General case' 0 N--CA 1.451 -0.392 0 O-C-N 122.092 -0.38 . . . . 0.0 111.103 179.812 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 67' ' ' VAL . . . . . . . . . . . . . 49.9 t -66.59 -33.56 64.29 Favored 'Isoleucine or valine' 0 N--CA 1.456 -0.156 0 N-CA-C 110.0 -0.37 . . . . 0.0 110.0 176.154 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -90.44 -9.46 47.39 Favored 'General case' 0 N--CA 1.453 -0.307 0 O-C-N 122.212 -0.305 . . . . 0.0 111.795 178.224 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . -105.04 -11.69 29.34 Favored Glycine 0 CA--C 1.531 1.073 0 CA-C-O 119.065 -0.853 . . . . 0.0 113.792 -177.256 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 28.3 mm-40 -135.33 -20.59 1.62 Allowed 'General case' 0 CA--C 1.53 0.185 0 CA-C-N 118.735 1.267 . . . . 0.0 112.554 -174.544 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 22.8 t0 -61.88 116.85 5.2 Favored 'General case' 0 N--CA 1.455 -0.2 0 O-C-N 120.909 -1.119 . . . . 0.0 109.974 178.992 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . 88.33 9.91 69.09 Favored Glycine 0 C--N 1.34 0.794 0 N-CA-C 111.141 -0.783 . . . . 0.0 111.141 179.837 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 73' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -76.29 169.51 18.09 Favored 'General case' 0 N--CA 1.452 -0.353 0 N-CA-C 106.381 -1.711 . . . . 0.0 106.381 172.133 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 74' ' ' MET . . . . . . . . . . . . . 31.5 ttm -114.72 121.03 42.09 Favored 'General case' 0 N--CA 1.45 -0.471 0 N-CA-C 109.245 -0.65 . . . . 0.0 109.245 -177.116 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 75' ' ' ILE . . . . . . . . . . . . . 0.2 OUTLIER -128.29 136.89 58.92 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.239 0 CA-C-N 115.983 -0.553 . . . . 0.0 109.979 179.621 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . 54.27 19.11 2.07 Favored 'General case' 0 CA--C 1.532 0.274 0 C-N-CA 123.097 0.559 . . . . 0.0 111.916 -173.666 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 88.05 5.07 77.45 Favored Glycine 0 CA--C 1.527 0.834 0 CA-C-O 119.835 -0.425 . . . . 0.0 112.099 -179.325 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 78' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -125.97 134.54 51.48 Favored 'General case' 0 CA--C 1.534 0.364 0 CA-C-N 117.841 0.82 . . . . 0.0 110.812 -179.397 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 79' ' ' VAL . . . . . . . . . . . . . 65.6 t -63.22 141.42 18.15 Favored 'Isoleucine or valine' 0 C--O 1.228 -0.069 0 C-N-CA 124.715 1.206 . . . . 0.0 110.884 -178.833 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 29.9 mt -97.5 157.23 16.12 Favored 'General case' 0 C--N 1.333 -0.151 0 CA-C-O 120.709 0.29 . . . . 0.0 111.54 176.064 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 81' ' ' ASP . . . . . . . . . . . . . 31.0 t70 -123.04 103.77 8.8 Favored 'General case' 0 N--CA 1.452 -0.365 0 N-CA-C 107.971 -1.122 . . . . 0.0 107.971 174.474 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 82' ' ' ILE . . . . . . . . . . . . . 64.0 mt -119.85 139.85 45.79 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.181 0 CA-C-N 116.381 -0.372 . . . . 0.0 110.511 -170.007 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 83' ' ' ASN . . . . . . . . . . . . . 1.6 p-10 -161.33 170.45 20.11 Favored 'General case' 0 CA--C 1.527 0.084 0 C-N-CA 123.543 0.737 . . . . 0.0 110.343 179.674 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 84' ' ' LEU . . . . . 0.439 ' H ' HD22 ' A' ' 84' ' ' LEU . 3.2 mm? -61.2 149.62 37.02 Favored 'General case' 0 C--O 1.227 -0.115 0 N-CA-C 108.977 -0.749 . . . . 0.0 108.977 176.025 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . -71.18 4.95 2.4 Favored 'General case' 0 CA--C 1.534 0.333 0 N-CA-C 111.92 0.341 . . . . 0.0 111.92 178.147 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . -138.19 -4.16 1.72 Allowed 'General case' 0 CA--C 1.531 0.237 0 N-CA-C 112.472 0.545 . . . . 0.0 112.472 -178.92 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 80.5 mm-40 -138.18 69.49 48.43 Favored Pre-proline 0 N--CA 1.454 -0.258 0 N-CA-C 109.407 -0.59 . . . . 0.0 109.407 179.74 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 88' ' ' PRO . . . . . . . . . . . . . 56.1 Cg_endo -64.17 143.62 84.48 Favored 'Trans proline' 0 N--CA 1.45 -1.061 0 C-N-CA 123.221 2.614 . . . . 0.0 108.422 176.735 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 2.3 ptpp? -56.76 -55.23 36.91 Favored 'General case' 0 CA--C 1.527 0.081 0 N-CA-C 113.276 0.843 . . . . 0.0 113.276 -169.581 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 90' ' ' VAL . . . . . . . . . . . . . 8.3 p -156.79 -37.41 0.04 OUTLIER 'Isoleucine or valine' 0 N--CA 1.456 -0.155 0 CA-C-N 117.986 0.357 . . . . 0.0 111.532 -178.863 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 91' ' ' ASN . . . . . . . . . . . . . 68.2 m-80 -139.71 163.27 33.03 Favored 'General case' 0 N--CA 1.45 -0.45 0 CA-C-N 116.365 -0.379 . . . . 0.0 110.379 177.815 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 92' ' ' ARG . . . . . . . . . . . . . 46.1 ttp85 -98.69 -44.48 6.4 Favored 'General case' 0 N--CA 1.455 -0.221 0 N-CA-C 109.533 -0.543 . . . . 0.0 109.533 174.159 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . 58.11 -158.35 16.23 Favored Glycine 0 CA--C 1.523 0.58 0 C-N-CA 123.57 0.605 . . . . 0.0 113.03 176.634 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 37.5 ttpt -142.57 -29.92 0.56 Allowed 'General case' 0 N--CA 1.452 -0.356 0 C-N-CA 123.371 0.669 . . . . 0.0 111.413 178.263 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . -154.16 143.15 21.13 Favored 'General case' 0 N--CA 1.452 -0.358 0 C-N-CA 122.667 0.387 . . . . 0.0 110.448 179.7 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . -83.19 -12.15 79.58 Favored Glycine 0 CA--C 1.526 0.758 0 N-CA-C 111.79 -0.524 . . . . 0.0 111.79 177.708 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 97' ' ' VAL . . . . . . . . . . . . . 50.0 t -102.3 128.82 54.61 Favored 'Isoleucine or valine' 0 C--N 1.338 0.073 0 N-CA-C 108.767 -0.827 . . . . 0.0 108.767 178.318 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 98' ' ' LYS . . . . . . . . . . . . . 61.1 mttm -129.68 12.99 5.89 Favored 'General case' 0 C--O 1.231 0.11 0 C-N-CA 122.828 0.451 . . . . 0.0 112.044 -174.626 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 99' ' ' ARG . . . . . . . . . . . . . 2.1 mpp_? -117.9 170.94 8.41 Favored 'General case' 0 N--CA 1.457 -0.107 0 C-N-CA 124.847 1.259 . . . . 0.0 109.388 178.435 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 9.1 t -72.03 -12.64 61.32 Favored 'General case' 0 N--CA 1.455 -0.22 0 CA-C-N 116.403 -0.362 . . . . 0.0 110.981 178.909 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 101' ' ' ALA . . . . . . . . . . . . . . . 55.71 9.01 0.37 Allowed 'General case' 0 CA--C 1.534 0.346 0 C-N-CA 124.483 1.113 . . . . 0.0 113.128 -174.911 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -147.87 6.59 0.81 Allowed 'General case' 0 CA--C 1.533 0.311 0 C-N-CA 123.449 0.7 . . . . 0.0 111.367 179.022 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 12.1 pt-20 -74.6 -7.55 53.53 Favored 'General case' 0 CA--C 1.527 0.089 0 O-C-N 122.141 -0.35 . . . . 0.0 111.913 -176.581 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 104' ' ' MET . . . . . . . . . . . . . 3.9 mpp? -91.61 2.16 56.65 Favored 'General case' 0 N--CA 1.453 -0.294 0 C-N-CA 122.978 0.511 . . . . 0.0 110.819 177.034 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 105' ' ' TYR . . . . . . . . . . . . . 31.7 m-85 -133.76 4.51 3.59 Favored 'General case' 0 CA--C 1.532 0.255 0 C-N-CA 123.133 0.573 . . . . 0.0 111.572 -176.282 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 106' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.525 0.664 0 N-CA-C 111.353 -0.699 . . . . 0.0 111.353 -179.82 . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' B' B ' 1' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.423 -2.472 1 C5'-C4'-C3' 108.245 -4.836 . 0.0 '__' . 0.0 . . . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 2' ' ' ' U' . . . . . 0.401 " H4'" " H5'" ' B' ' 3' ' ' ' U' . . . . . . . . 0 O4'--C4' 1.421 -2.64 1 O4'-C1'-N19 112.593 4.393 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' B' B ' 3' ' ' ' U' . . . . . 0.401 " H5'" " H4'" ' B' ' 2' ' ' ' U' . . . . . . . . 0 O4'--C4' 1.421 -2.683 0 C5'-C4'-C3' 111.659 -2.561 . 0.462 0b . 0.0 . . . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 4' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.423 -2.499 1 O4'-C1'-N19 112.776 4.576 . 0.123 4b . 0.0 . . . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 5' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.42 -2.782 1 O4'-C1'-N19 113.425 5.225 . 0.173 2u . 0.0 . . . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.475 0.779 0 CA-C-O 120.607 0.241 . . . . 0.0 110.736 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 45.8 m -71.0 159.67 34.34 Favored 'General case' 0 CA--C 1.528 0.113 0 C-N-CA 123.019 0.528 . . . . 0.0 110.511 178.54 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 4' ' ' ASN . . . . . . . . . . . . . 53.3 p-10 -85.83 6.67 27.07 Favored 'General case' 0 CA--C 1.531 0.217 0 N-CA-C 112.006 0.373 . . . . 0.0 112.006 -179.479 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 94.7 t -96.51 131.61 42.87 Favored 'Isoleucine or valine' 0 N--CA 1.456 -0.163 0 C-N-CA 122.987 0.515 . . . . 0.0 110.745 -177.864 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 40.0 p -146.54 12.01 1.15 Allowed 'General case' 0 CA--C 1.529 0.162 0 C-N-CA 123.315 0.646 . . . . 0.0 111.714 179.325 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 7' ' ' ASN . . . . . . . . . . . . . 62.2 t-20 -118.84 115.1 23.71 Favored 'General case' 0 C--O 1.231 0.121 0 CA-C-N 119.137 0.88 . . . . 0.0 111.764 -177.865 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 67.4 mttm -150.99 164.52 36.2 Favored 'General case' 0 CA--C 1.53 0.176 0 C-N-CA 126.194 1.797 . . . . 0.0 107.611 174.487 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 75.9 p -126.97 17.76 7.25 Favored 'General case' 0 N--CA 1.462 0.152 0 N-CA-C 112.421 0.526 . . . . 0.0 112.421 -179.712 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 16.0 m-20 -70.55 152.58 95.34 Favored Pre-proline 0 CA--C 1.533 0.316 0 N-CA-C 109.957 -0.386 . . . . 0.0 109.957 178.19 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 11' ' ' PRO . . . . . . . . . . . . . 67.7 Cg_endo -67.38 -0.47 5.07 Favored 'Trans proline' 0 N--CA 1.457 -0.66 0 C-N-CA 124.2 3.267 . . . . 0.0 113.471 -174.477 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -128.73 -28.71 2.44 Favored 'General case' 0 C--O 1.227 -0.117 0 CA-C-N 118.499 0.59 . . . . 0.0 110.758 176.43 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 33.5 m -74.63 -27.74 60.57 Favored 'General case' 0 N--CA 1.453 -0.312 0 CA-C-O 119.479 -0.295 . . . . 0.0 111.392 -179.883 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 14' ' ' MET . . . . . . . . . . . . . 11.0 ptm -92.11 -4.53 54.2 Favored 'General case' 0 N--CA 1.455 -0.187 0 CA-C-N 118.537 0.608 . . . . 0.0 112.442 178.821 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 72.5 m-80 -104.58 -19.57 13.95 Favored 'General case' 0 N--CA 1.454 -0.235 0 C-N-CA 122.423 0.289 . . . . 0.0 110.906 177.025 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 14.9 m -85.86 15.35 4.95 Favored 'General case' 0 CA--C 1.529 0.168 0 C-N-CA 123.17 0.588 . . . . 0.0 110.64 170.722 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 35.5 ttm180 -111.96 155.82 23.11 Favored 'General case' 0 N--CA 1.456 -0.146 0 C-N-CA 124.472 1.109 . . . . 0.0 110.163 -176.164 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 75.0 t -131.59 133.13 62.02 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.214 0 N-CA-C 109.949 -0.389 . . . . 0.0 109.949 177.155 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 35.6 t80 -94.12 135.63 35.28 Favored 'General case' 0 N--CA 1.45 -0.443 0 N-CA-C 108.949 -0.76 . . . . 0.0 108.949 175.443 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 59.3 mt -122.45 82.44 0.76 Allowed 'Isoleucine or valine' 0 N--CA 1.457 -0.1 0 N-CA-C 107.897 -1.149 . . . . 0.0 107.897 -179.376 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -84.48 175.18 50.83 Favored Glycine 0 CA--C 1.521 0.436 0 N-CA-C 110.759 -0.936 . . . . 0.0 110.759 178.796 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 61.3 t30 48.62 46.37 21.2 Favored 'General case' 0 CA--C 1.531 0.221 0 C-N-CA 122.708 0.403 . . . . 0.0 110.771 -178.057 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 59.4 tp -98.79 144.77 27.65 Favored 'General case' 0 N--CA 1.454 -0.236 0 C-N-CA 123.114 0.566 . . . . 0.0 109.627 179.244 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 63.8 t30 -67.91 -39.15 83.6 Favored 'General case' 0 CA--C 1.528 0.13 0 C-N-CA 120.964 -0.294 . . . . 0.0 111.075 -178.112 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 35.8 p 54.14 4.86 0.06 Allowed 'General case' 0 N--CA 1.467 0.385 0 C-N-CA 126.19 1.796 . . . . 0.0 115.287 179.527 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 7.3 mp -98.87 -15.05 19.34 Favored 'General case' 0 CA--C 1.53 0.209 0 C-N-CA 123.353 0.661 . . . . 0.0 111.383 177.256 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 62.5 t -126.33 -23.71 1.79 Allowed 'Isoleucine or valine' 0 CA--C 1.528 0.11 0 C-N-CA 122.526 0.331 . . . . 0.0 110.587 179.443 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 49.7 t -102.96 145.65 11.98 Favored 'Isoleucine or valine' 0 N--CA 1.462 0.136 0 N-CA-C 110.084 -0.339 . . . . 0.0 110.084 178.515 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 8.0 mptt -135.49 172.26 13.27 Favored 'General case' 0 N--CA 1.457 -0.095 0 C-N-CA 123.304 0.642 . . . . 0.0 110.143 -178.308 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 9.5 ptmt -67.27 -4.52 10.88 Favored 'General case' 0 CA--C 1.528 0.111 0 C-N-CA 123.584 0.754 . . . . 0.0 112.125 178.159 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 32.2 m -98.76 0.61 44.81 Favored 'General case' 0 CA--C 1.531 0.216 0 C-N-CA 123.377 0.671 . . . . 0.0 110.749 173.979 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 20.0 m-20 -117.06 -32.86 4.9 Favored 'General case' 0 N--CA 1.452 -0.365 0 C-N-CA 123.897 0.879 . . . . 0.0 110.925 179.906 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 77.5 t -62.59 -31.94 53.73 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.175 0 N-CA-C 109.375 -0.602 . . . . 0.0 109.375 177.511 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 24.1 pt-20 -77.76 5.43 9.45 Favored 'General case' 0 CA--C 1.531 0.249 0 N-CA-C 112.179 0.437 . . . . 0.0 112.179 178.635 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -125.19 -8.29 7.07 Favored 'General case' 0 N--CA 1.455 -0.201 0 C-N-CA 122.815 0.446 . . . . 0.0 111.183 177.223 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 81.1 mt -108.75 -27.64 2.9 Favored 'Isoleucine or valine' 0 CA--C 1.527 0.085 0 C-N-CA 123.276 0.63 . . . . 0.0 110.942 179.756 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 37' ' ' PHE . . . . . . . . . . . . . 62.6 m-85 -104.12 -9.69 18.54 Favored 'General case' 0 N--CA 1.453 -0.312 0 C-N-CA 122.535 0.334 . . . . 0.0 110.841 179.915 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 23.3 t -75.13 -8.17 55.82 Favored 'General case' 0 CA--C 1.528 0.134 0 O-C-N 121.995 -0.44 . . . . 0.0 111.119 -178.63 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 13.1 ptmm? -85.07 -11.29 55.62 Favored 'General case' 0 CA--C 1.528 0.103 0 C-N-CA 122.779 0.432 . . . . 0.0 112.011 178.25 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 40' ' ' TYR . . . . . . . . . . . . . 67.9 m-85 -105.83 -15.5 14.92 Favored 'General case' 0 C--N 1.34 0.162 0 C-N-CA 122.518 0.327 . . . . 0.0 111.46 178.495 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -176.33 162.61 31.44 Favored Glycine 0 C--N 1.333 0.413 0 N-CA-C 111.317 -0.713 . . . . 0.0 111.317 174.737 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 56.0 tttp -72.99 114.95 11.71 Favored 'General case' 0 N--CA 1.451 -0.42 0 N-CA-C 108.644 -0.872 . . . . 0.0 108.644 178.225 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 43' ' ' ILE . . . . . . . . . . . . . 70.2 mt -82.55 130.37 35.88 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.301 0 N-CA-C 109.765 -0.457 . . . . 0.0 109.765 -179.001 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 32.5 m -108.96 -5.66 10.89 Favored 'Isoleucine or valine' 0 N--CA 1.458 -0.072 0 C-N-CA 123.201 0.6 . . . . 0.0 110.653 178.823 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . -171.09 145.66 9.07 Favored Glycine 0 CA--C 1.524 0.654 0 N-CA-C 109.824 -1.31 . . . . 0.0 109.824 177.466 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 46' ' ' CYS . . . . . . . . . . . . . 24.9 p -148.63 152.88 37.5 Favored 'General case' 0 N--CA 1.452 -0.353 0 CA-C-N 116.976 0.388 . . . . 0.0 110.057 -179.55 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 20.2 t -159.85 151.89 20.55 Favored 'General case' 0 N--CA 1.452 -0.329 0 CA-C-O 120.692 0.282 . . . . 0.0 110.417 176.218 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 48' ' ' VAL . . . . . . . . . . . . . 94.5 t -128.6 146.32 34.18 Favored 'Isoleucine or valine' 0 CA--C 1.522 -0.128 0 C-N-CA 123.4 0.68 . . . . 0.0 109.203 176.205 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 49' ' ' HIS . . . . . . . . . . . . . 53.0 m-70 -134.31 -163.98 1.44 Allowed 'General case' 0 N--CA 1.449 -0.489 0 C-N-CA 124.399 1.08 . . . . 0.0 108.13 -176.295 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 65.5 mttp -90.7 116.95 28.96 Favored 'General case' 0 N--CA 1.454 -0.261 0 N-CA-C 109.631 -0.507 . . . . 0.0 109.631 177.139 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 81.27 -9.32 54.99 Favored Glycine 0 CA--C 1.531 1.033 0 CA-C-O 119.292 -0.727 . . . . 0.0 113.531 178.548 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 46.4 p90 -150.53 170.16 19.79 Favored 'General case' 0 CA--C 1.528 0.115 0 CA-C-N 118.783 1.291 . . . . 0.0 111.661 178.149 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -148.01 172.86 13.56 Favored 'General case' 0 N--CA 1.453 -0.276 0 C-N-CA 123.95 0.9 . . . . 0.0 110.12 175.324 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 54' ' ' PHE . . . . . . . . . . . . . 13.6 m-85 -140.1 149.3 42.91 Favored 'General case' 0 N--CA 1.454 -0.237 0 C-N-CA 123.539 0.736 . . . . 0.0 110.909 -179.319 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 90.0 t -137.67 146.92 26.73 Favored 'Isoleucine or valine' 0 CA--C 1.519 -0.248 0 C-N-CA 124.084 0.954 . . . . 0.0 109.092 177.448 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 56' ' ' GLN . . . . . . . . . . . . . 68.3 tp60 -126.77 133.67 50.78 Favored 'General case' 0 N--CA 1.447 -0.62 0 N-CA-C 109.241 -0.651 . . . . 0.0 109.241 179.989 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 57' ' ' TYR . . . . . . . . . . . . . 52.4 m-85 -115.94 175.02 5.73 Favored 'General case' 0 N--CA 1.454 -0.269 0 C-N-CA 123.43 0.692 . . . . 0.0 110.62 -179.506 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 58' ' ' VAL . . . . . . . . . . . . . 74.9 t -69.39 -31.62 50.13 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.217 0 CA-C-N 116.236 -0.438 . . . . 0.0 109.933 177.82 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 59' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -155.61 166.97 31.91 Favored 'General case' 0 N--CA 1.452 -0.359 0 N-CA-C 112.167 0.432 . . . . 0.0 112.167 178.519 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 86.0 tt0 -57.47 -30.67 65.24 Favored 'General case' 0 CA--C 1.53 0.179 0 C-N-CA 123.905 0.882 . . . . 0.0 112.703 -179.216 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 26.8 tpt180 -59.2 -39.29 82.15 Favored 'General case' 0 N--CA 1.461 0.094 0 CA-C-N 119.307 0.958 . . . . 0.0 109.666 179.556 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 62' ' ' ASN . . . . . . . . . . . . . 19.7 m120 -71.48 -24.43 61.99 Favored 'General case' 0 N--CA 1.45 -0.429 0 C-N-CA 120.599 -0.441 . . . . 0.0 111.025 -179.747 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -75.07 -38.49 61.28 Favored 'General case' 0 N--CA 1.454 -0.255 0 N-CA-C 110.191 -0.3 . . . . 0.0 110.191 177.55 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 64' ' ' ARG . . . . . . . . . . . . . 36.1 mmt180 -69.19 -25.0 64.12 Favored 'General case' 0 CA--C 1.528 0.133 0 N-CA-C 110.397 -0.223 . . . . 0.0 110.397 179.25 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -80.67 -32.88 35.89 Favored 'General case' 0 N--CA 1.454 -0.262 0 O-C-N 122.519 -0.113 . . . . 0.0 110.933 -179.548 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -81.72 -34.37 30.58 Favored 'General case' 0 N--CA 1.453 -0.31 0 O-C-N 122.164 -0.335 . . . . 0.0 111.022 179.089 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 67' ' ' VAL . . . . . . . . . . . . . 45.6 t -64.87 -34.84 73.05 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.203 0 N-CA-C 109.96 -0.385 . . . . 0.0 109.96 175.05 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -90.41 -10.02 45.4 Favored 'General case' 0 CA--C 1.532 0.277 0 N-CA-C 111.867 0.321 . . . . 0.0 111.867 178.794 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . -101.71 -14.3 29.93 Favored Glycine 0 CA--C 1.53 1.019 0 CA-C-O 119.181 -0.788 . . . . 0.0 113.814 -177.418 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 41.8 mm-40 -133.62 -19.85 2.08 Favored 'General case' 0 C--N 1.34 0.185 0 CA-C-N 118.721 1.261 . . . . 0.0 112.603 -173.467 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 21.5 t0 -61.96 116.69 5.1 Favored 'General case' 0 N--CA 1.456 -0.173 0 O-C-N 121.381 -0.825 . . . . 0.0 110.011 179.052 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . 89.32 9.7 66.78 Favored Glycine 0 C--N 1.338 0.66 0 N-CA-C 111.252 -0.739 . . . . 0.0 111.252 -179.92 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 73' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -75.91 168.97 19.05 Favored 'General case' 0 N--CA 1.452 -0.356 0 N-CA-C 106.493 -1.669 . . . . 0.0 106.493 171.976 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 74' ' ' MET . . . . . . . . . . . . . 34.7 ttm -114.78 122.85 47.64 Favored 'General case' 0 N--CA 1.448 -0.536 0 N-CA-C 109.227 -0.657 . . . . 0.0 109.227 -176.93 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 75' ' ' ILE . . . . . . . . . . . . . 0.2 OUTLIER -130.44 135.95 59.5 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.393 0 N-CA-C 109.368 -0.604 . . . . 0.0 109.368 179.839 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . 54.8 17.33 1.72 Allowed 'General case' 0 CA--C 1.533 0.308 0 C-N-CA 122.977 0.511 . . . . 0.0 112.296 -174.595 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 89.54 4.9 72.72 Favored Glycine 0 CA--C 1.527 0.789 0 CA-C-O 119.644 -0.531 . . . . 0.0 111.962 -179.388 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 78' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -124.92 131.37 53.44 Favored 'General case' 0 N--CA 1.451 -0.38 0 CA-C-N 117.883 0.842 . . . . 0.0 110.255 -179.38 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 79' ' ' VAL . . . . . . . . . . . . . 47.5 t -63.12 139.81 20.65 Favored 'Isoleucine or valine' 0 CA--C 1.523 -0.086 0 C-N-CA 124.296 1.038 . . . . 0.0 110.144 -179.212 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 31.2 mt -93.62 156.72 16.55 Favored 'General case' 0 C--O 1.232 0.153 0 CA-C-O 120.691 0.282 . . . . 0.0 110.836 177.17 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 81' ' ' ASP . . . . . . . . . . . . . 33.4 t70 -123.6 102.55 7.92 Favored 'General case' 0 N--CA 1.451 -0.376 0 N-CA-C 108.221 -1.029 . . . . 0.0 108.221 174.338 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 82' ' ' ILE . . . . . . . . . . . . . 61.0 mt -117.48 138.75 47.14 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.285 0 C-N-CA 123.255 0.622 . . . . 0.0 110.397 -169.917 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 83' ' ' ASN . . . . . . . . . . . . . 2.1 p-10 -156.85 164.83 37.63 Favored 'General case' 0 N--CA 1.455 -0.219 0 CA-C-O 121.135 0.493 . . . . 0.0 111.192 179.273 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 84' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -58.99 132.05 52.87 Favored 'General case' 0 N--CA 1.452 -0.334 0 N-CA-C 108.425 -0.954 . . . . 0.0 108.425 174.924 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . -62.99 1.68 0.4 Allowed 'General case' 0 CA--C 1.532 0.288 0 N-CA-C 114.264 1.209 . . . . 0.0 114.264 -175.002 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . -130.19 4.5 4.81 Favored 'General case' 0 CA--C 1.532 0.253 0 CA-C-N 118.491 0.587 . . . . 0.0 111.623 179.299 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 61.3 mt-10 -141.18 67.85 26.74 Favored Pre-proline 0 C--O 1.233 0.188 0 C-N-CA 123.197 0.599 . . . . 0.0 109.843 179.199 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 88' ' ' PRO . . . . . . . . . . . . . 43.1 Cg_endo -62.62 149.86 89.7 Favored 'Trans proline' 0 N--CA 1.452 -0.913 0 C-N-CA 123.352 2.701 . . . . 0.0 109.652 176.223 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 89' ' ' LYS . . . . . 0.477 ' HG3' ' H ' ' A' ' 90' ' ' VAL . 15.5 ptpt -82.57 -100.74 0.04 OUTLIER 'General case' 0 N--CA 1.454 -0.254 0 CA-C-N 115.525 -0.761 . . . . 0.0 111.158 -174.544 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 90' ' ' VAL . . . . . 0.477 ' H ' ' HG3' ' A' ' 89' ' ' LYS . 79.5 t -144.77 -32.84 0.13 Allowed 'Isoleucine or valine' 0 C--N 1.333 -0.139 0 C-N-CA 123.298 0.639 . . . . 0.0 111.353 -174.354 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 91' ' ' ASN . . . . . . . . . . . . . 45.0 m-80 -94.46 8.98 40.2 Favored 'General case' 0 CA--C 1.532 0.257 0 N-CA-C 112.638 0.607 . . . . 0.0 112.638 -175.343 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 92' ' ' ARG . . . . . . . . . . . . . 5.3 tmm_? -72.04 83.43 0.97 Allowed 'General case' 0 C--N 1.34 0.178 0 N-CA-C 108.523 -0.917 . . . . 0.0 108.523 177.409 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . -173.17 45.38 0.16 Allowed Glycine 0 CA--C 1.522 0.53 0 C-N-CA 121.205 -0.522 . . . . 0.0 113.789 -177.929 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 94' ' ' LYS . . . . . 0.516 ' H ' " H2'" ' B' ' 1' ' ' ' U' . 87.6 mttt 60.9 -3.34 0.16 Allowed 'General case' 0 N--CA 1.463 0.208 0 N-CA-C 114.772 1.397 . . . . 0.0 114.772 176.94 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . -157.11 161.7 39.41 Favored 'General case' 0 N--CA 1.453 -0.312 0 CA-C-N 118.199 0.454 . . . . 0.0 110.927 -177.958 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . 164.02 -16.02 0.11 Allowed Glycine 0 C--N 1.336 0.549 0 CA-C-N 116.347 -0.388 . . . . 0.0 112.272 178.432 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 97' ' ' VAL . . . . . . . . . . . . . 9.9 p -136.09 137.65 48.3 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.334 0 N-CA-C 109.323 -0.621 . . . . 0.0 109.323 174.724 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 98' ' ' LYS . . . . . . . . . . . . . 35.8 mmtp -120.07 14.32 12.27 Favored 'General case' 0 CA--C 1.529 0.154 0 C-N-CA 123.209 0.603 . . . . 0.0 111.955 -177.934 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 99' ' ' ARG . . . . . . . . . . . . . 39.1 ptt180 -141.6 169.57 17.35 Favored 'General case' 0 N--CA 1.454 -0.263 0 C-N-CA 123.66 0.784 . . . . 0.0 110.66 -178.865 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 57.9 m -70.33 -12.42 61.57 Favored 'General case' 0 N--CA 1.456 -0.15 0 C-N-CA 122.579 0.351 . . . . 0.0 111.497 178.249 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 101' ' ' ALA . . . . . . . . . . . . . . . 52.7 12.0 0.23 Allowed 'General case' 0 CA--C 1.533 0.307 0 C-N-CA 124.683 1.193 . . . . 0.0 113.08 -175.66 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -146.92 8.42 0.96 Allowed 'General case' 0 CA--C 1.533 0.289 0 C-N-CA 123.679 0.792 . . . . 0.0 111.195 -179.151 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 12.0 pt-20 -78.17 -1.92 35.07 Favored 'General case' 0 CA--C 1.53 0.199 0 C-N-CA 123.234 0.614 . . . . 0.0 112.229 -177.228 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 104' ' ' MET . . . . . . . . . . . . . 24.7 ptp -125.81 8.49 7.51 Favored 'General case' 0 N--CA 1.453 -0.307 0 C-N-CA 123.372 0.669 . . . . 0.0 112.267 -178.65 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 105' ' ' TYR . . . . . . . . . . . . . 35.6 m-85 -126.06 -7.03 6.59 Favored 'General case' 0 CA--C 1.53 0.193 0 C-N-CA 122.961 0.504 . . . . 0.0 111.095 178.94 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 106' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.526 0.721 0 N-CA-C 111.267 -0.733 . . . . 0.0 111.267 179.716 . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' B' B ' 1' ' ' ' U' . . . . . 0.516 " H2'" ' H ' ' A' ' 94' ' ' LYS . . . . . . . . 0 O4'--C4' 1.423 -2.5 1 O4'-C1'-N19 112.775 4.575 . 0.0 '__' . 0.0 . . . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 2' ' ' ' U' . . . . . 0.424 " H4'" " H5'" ' B' ' 3' ' ' ' U' . . . . . . . . 0 O4'--C4' 1.422 -2.623 0 O4'-C1'-N19 111.786 3.586 . 0.199 4b . 0.0 . . . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 3' ' ' ' U' . . . . . 0.424 " H5'" " H4'" ' B' ' 2' ' ' ' U' . . . . . . . . 0 O4'--C4' 1.421 -2.68 0 C5'-C4'-C3' 111.441 -2.706 . 0.479 0b . 0.0 . . . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 4' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.42 -2.725 0 O4'-C1'-N19 112.132 3.932 . 0.062 4b . 0.0 . . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' B' B ' 5' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.415 -3.148 1 O4'-C1'-N19 112.575 4.375 . 0.548 2h . 0.0 . . . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.475 0.811 0 CA-C-O 120.565 0.222 . . . . 0.0 110.91 . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 38.4 t -66.73 159.51 27.71 Favored 'General case' 0 N--CA 1.462 0.128 0 C-N-CA 122.614 0.366 . . . . 0.0 110.652 179.099 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 4' ' ' ASN . . . . . . . . . . . . . 3.0 p-10 -89.6 2.1 55.12 Favored 'General case' 0 CA--C 1.53 0.207 0 C-N-CA 123.104 0.562 . . . . 0.0 111.112 179.259 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 99.2 t -97.22 136.46 27.92 Favored 'Isoleucine or valine' 0 C--O 1.232 0.144 0 C-N-CA 123.101 0.561 . . . . 0.0 111.136 -176.933 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 46.2 p -146.35 3.43 0.89 Allowed 'General case' 0 C--O 1.227 -0.112 0 C-N-CA 123.497 0.719 . . . . 0.0 112.028 -179.744 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 7' ' ' ASN . . . . . . . . . . . . . 62.4 t-20 -100.43 108.34 20.31 Favored 'General case' 0 N--CA 1.455 -0.197 0 CA-C-N 119.251 0.932 . . . . 0.0 110.514 -178.33 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 68.8 mttm -145.17 156.47 43.89 Favored 'General case' 0 N--CA 1.461 0.092 0 C-N-CA 124.718 1.207 . . . . 0.0 108.998 179.452 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 64.7 p -133.02 18.57 4.11 Favored 'General case' 0 C--N 1.333 -0.15 0 N-CA-C 112.352 0.501 . . . . 0.0 112.352 -176.307 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 9.6 m-20 -78.16 159.42 75.54 Favored Pre-proline 0 N--CA 1.456 -0.17 0 O-C-N 122.165 -0.334 . . . . 0.0 111.061 -179.891 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 11' ' ' PRO . . . . . . . . . . . . . 49.3 Cg_exo -58.95 -9.11 7.09 Favored 'Trans proline' 0 N--CA 1.457 -0.656 0 C-N-CA 124.442 3.428 . . . . 0.0 114.442 -173.983 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 95.6 mtt180 -128.69 -36.92 1.8 Allowed 'General case' 0 CA--C 1.519 -0.24 0 C-N-CA 122.883 0.473 . . . . 0.0 110.585 176.359 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 19.5 m -67.17 -13.18 61.71 Favored 'General case' 0 N--CA 1.455 -0.221 0 CA-C-O 119.141 -0.456 . . . . 0.0 112.122 -176.806 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 14' ' ' MET . . . . . . . . . . . . . 9.6 ptm -108.44 0.76 21.23 Favored 'General case' 0 CA--C 1.531 0.247 0 CA-C-N 118.873 0.761 . . . . 0.0 112.567 174.509 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 72.6 m-80 -109.71 -21.42 12.41 Favored 'General case' 0 CA--C 1.528 0.11 0 C-N-CA 123.004 0.522 . . . . 0.0 110.034 176.153 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 93.6 p -83.67 -1.75 54.69 Favored 'General case' 0 N--CA 1.456 -0.171 0 C-N-CA 123.331 0.652 . . . . 0.0 110.469 170.955 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 30.6 ttp-105 -93.12 150.07 20.78 Favored 'General case' 0 N--CA 1.452 -0.353 0 N-CA-C 109.623 -0.51 . . . . 0.0 109.623 176.315 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 94.5 t -125.82 128.84 72.41 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.435 0 C-N-CA 123.117 0.567 . . . . 0.0 109.567 178.228 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 27.8 t80 -89.03 133.74 34.23 Favored 'General case' 0 N--CA 1.449 -0.49 0 CA-C-N 115.174 -0.921 . . . . 0.0 108.985 175.76 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 63.0 mt -121.09 84.42 0.85 Allowed 'Isoleucine or valine' 0 N--CA 1.454 -0.227 0 N-CA-C 107.823 -1.177 . . . . 0.0 107.823 -179.335 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -83.99 173.76 50.72 Favored Glycine 0 CA--C 1.523 0.555 0 N-CA-C 110.912 -0.875 . . . . 0.0 110.912 178.497 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 58.3 t30 48.73 47.91 20.53 Favored 'General case' 0 CA--C 1.532 0.268 0 C-N-CA 123.433 0.693 . . . . 0.0 110.693 -178.571 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 57.3 tp -99.03 144.85 27.71 Favored 'General case' 0 CA--C 1.531 0.24 0 N-CA-C 109.285 -0.635 . . . . 0.0 109.285 179.842 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 63.6 t30 -68.71 -37.51 79.56 Favored 'General case' 0 CA--C 1.53 0.204 0 O-C-N 122.104 -0.373 . . . . 0.0 111.166 -177.315 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 48.7 p 51.44 8.12 0.05 OUTLIER 'General case' 0 N--CA 1.465 0.29 0 C-N-CA 126.415 1.886 . . . . 0.0 115.237 179.326 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 6.7 mp -101.4 -14.95 17.36 Favored 'General case' 0 CA--C 1.53 0.206 0 C-N-CA 123.439 0.696 . . . . 0.0 111.288 176.668 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 61.8 t -126.78 -23.65 1.71 Allowed 'Isoleucine or valine' 0 C--O 1.231 0.079 0 C-N-CA 122.833 0.453 . . . . 0.0 110.571 179.423 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 61.0 t -103.4 146.06 11.64 Favored 'Isoleucine or valine' 0 N--CA 1.462 0.175 0 N-CA-C 110.146 -0.316 . . . . 0.0 110.146 178.976 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 8.1 mptt -135.28 171.62 14.17 Favored 'General case' 0 C--N 1.338 0.098 0 C-N-CA 123.449 0.7 . . . . 0.0 110.297 -178.678 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 10.5 ptmt -67.07 -4.39 9.83 Favored 'General case' 0 CA--C 1.528 0.113 0 C-N-CA 123.926 0.891 . . . . 0.0 112.255 -179.95 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 60.3 p -97.21 -11.95 23.6 Favored 'General case' 0 CA--C 1.528 0.118 0 C-N-CA 123.728 0.811 . . . . 0.0 111.081 174.616 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 42.9 m-20 -103.1 -34.41 8.88 Favored 'General case' 0 N--CA 1.453 -0.294 0 C-N-CA 124.298 1.039 . . . . 0.0 111.227 179.7 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 90.5 t -65.38 -31.27 53.13 Favored 'Isoleucine or valine' 0 N--CA 1.456 -0.161 0 N-CA-C 109.325 -0.62 . . . . 0.0 109.325 -179.926 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 25.2 pt-20 -78.54 7.32 6.91 Favored 'General case' 0 CA--C 1.531 0.212 0 N-CA-C 111.89 0.33 . . . . 0.0 111.89 177.656 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -126.34 -7.33 6.42 Favored 'General case' 0 N--CA 1.454 -0.234 0 C-N-CA 123.045 0.538 . . . . 0.0 110.963 176.565 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 76.8 mt -108.58 -26.31 3.3 Favored 'Isoleucine or valine' 0 C--N 1.339 0.128 0 C-N-CA 123.221 0.608 . . . . 0.0 110.793 178.406 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 37' ' ' PHE . . . . . . . . . . . . . 60.9 m-85 -104.86 -8.4 18.72 Favored 'General case' 0 N--CA 1.454 -0.256 0 C-N-CA 122.449 0.299 . . . . 0.0 110.726 -179.858 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 73.4 p -72.57 -14.06 61.54 Favored 'General case' 0 CA--C 1.527 0.063 0 C-N-CA 122.562 0.345 . . . . 0.0 111.298 -179.025 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 13.4 ptmm? -80.94 -11.71 59.52 Favored 'General case' 0 CA--C 1.531 0.238 0 C-N-CA 123.567 0.747 . . . . 0.0 112.343 179.253 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 40' ' ' TYR . . . . . . . . . . . . . 65.9 m-85 -107.22 -16.05 14.5 Favored 'General case' 0 C--N 1.338 0.106 0 C-N-CA 122.172 0.189 . . . . 0.0 111.33 178.721 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -174.9 160.89 30.14 Favored Glycine 0 C--N 1.336 0.53 0 N-CA-C 111.966 -0.454 . . . . 0.0 111.966 175.45 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 77.1 tttt -71.44 115.12 10.24 Favored 'General case' 0 N--CA 1.45 -0.452 0 N-CA-C 108.804 -0.813 . . . . 0.0 108.804 177.612 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 43' ' ' ILE . . . . . . . . . . . . . 76.1 mt -84.56 126.71 40.25 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.344 0 N-CA-C 109.856 -0.424 . . . . 0.0 109.856 -178.616 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 33.9 m -104.05 -7.08 9.54 Favored 'Isoleucine or valine' 0 N--CA 1.458 -0.054 0 C-N-CA 123.191 0.596 . . . . 0.0 110.9 178.701 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . -172.92 147.5 9.77 Favored Glycine 0 C--N 1.335 0.514 0 N-CA-C 110.191 -1.164 . . . . 0.0 110.191 177.422 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 46' ' ' CYS . . . . . . . . . . . . . 51.7 t -151.9 146.26 25.51 Favored 'General case' 0 N--CA 1.45 -0.438 0 O-C-N 122.418 -0.46 . . . . 0.0 110.108 -179.64 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 22.7 t -153.5 149.35 27.62 Favored 'General case' 0 N--CA 1.451 -0.392 0 N-CA-C 109.806 -0.442 . . . . 0.0 109.806 176.39 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 48' ' ' VAL . . . . . . . . . . . . . 91.6 t -124.21 146.66 29.35 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.26 0 N-CA-C 109.006 -0.738 . . . . 0.0 109.006 178.119 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 49' ' ' HIS . . . . . . . . . . . . . 50.8 m-70 -131.77 -166.2 1.69 Allowed 'General case' 0 N--CA 1.452 -0.373 0 N-CA-C 108.014 -1.106 . . . . 0.0 108.014 -176.383 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 65.4 mttp -88.64 118.17 28.12 Favored 'General case' 0 N--CA 1.455 -0.224 0 N-CA-C 109.661 -0.496 . . . . 0.0 109.661 176.433 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 80.79 -7.8 57.83 Favored Glycine 0 CA--C 1.528 0.897 0 CA-C-O 119.094 -0.837 . . . . 0.0 113.9 178.283 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 52.0 p90 -154.15 170.22 21.7 Favored 'General case' 0 CA--C 1.531 0.231 0 CA-C-N 118.925 1.363 . . . . 0.0 111.375 179.076 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -149.13 172.58 14.56 Favored 'General case' 0 N--CA 1.453 -0.276 0 C-N-CA 123.556 0.743 . . . . 0.0 110.37 177.474 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 54' ' ' PHE . . . . . . . . . . . . . 11.5 m-85 -140.06 145.3 37.51 Favored 'General case' 0 N--CA 1.455 -0.211 0 C-N-CA 123.529 0.731 . . . . 0.0 110.456 179.617 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 96.2 t -136.43 138.23 46.99 Favored 'Isoleucine or valine' 0 CA--C 1.519 -0.237 0 C-N-CA 123.759 0.823 . . . . 0.0 108.787 178.622 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 56' ' ' GLN . . . . . . . . . . . . . 58.3 tp60 -117.79 130.51 56.33 Favored 'General case' 0 N--CA 1.453 -0.283 0 N-CA-C 109.576 -0.527 . . . . 0.0 109.576 -176.747 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 57' ' ' TYR . . . . . . . . . . . . . 42.8 m-85 -111.75 178.4 4.33 Favored 'General case' 0 N--CA 1.457 -0.123 0 C-N-CA 123.196 0.598 . . . . 0.0 110.687 178.855 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 58' ' ' VAL . . . . . . . . . . . . . 73.3 t -74.8 -31.51 26.33 Favored 'Isoleucine or valine' 0 N--CA 1.456 -0.149 0 CA-C-N 116.479 -0.328 . . . . 0.0 110.643 178.537 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 59' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -154.82 170.59 21.3 Favored 'General case' 0 CA--C 1.53 0.203 0 N-CA-C 112.411 0.523 . . . . 0.0 112.411 178.528 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 71.0 tt0 -60.9 -29.68 69.73 Favored 'General case' 0 CA--C 1.529 0.167 0 C-N-CA 123.021 0.528 . . . . 0.0 111.975 -177.366 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 20.3 tpp85 -60.17 -38.14 82.32 Favored 'General case' 0 C--N 1.339 0.14 0 CA-C-N 118.868 0.758 . . . . 0.0 110.082 -179.873 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 62' ' ' ASN . . . . . . . . . . . . . 19.5 m120 -71.41 -25.81 62.5 Favored 'General case' 0 N--CA 1.45 -0.45 0 O-C-N 122.11 -0.369 . . . . 0.0 110.789 179.113 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -76.28 -36.41 58.42 Favored 'General case' 0 N--CA 1.45 -0.431 0 N-CA-C 110.127 -0.323 . . . . 0.0 110.127 178.521 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 64' ' ' ARG . . . . . . . . . . . . . 28.5 mmt180 -66.86 -28.75 68.59 Favored 'General case' 0 C--O 1.227 -0.088 0 N-CA-C 110.253 -0.277 . . . . 0.0 110.253 177.838 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -78.37 -33.24 49.05 Favored 'General case' 0 N--CA 1.453 -0.278 0 O-C-N 122.525 -0.11 . . . . 0.0 110.899 -178.818 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -83.41 -34.94 25.39 Favored 'General case' 0 N--CA 1.454 -0.226 0 O-C-N 122.226 -0.296 . . . . 0.0 111.635 179.908 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 67' ' ' VAL . . . . . . . . . . . . . 53.0 t -65.25 -32.51 58.58 Favored 'Isoleucine or valine' 0 C--O 1.227 -0.105 0 N-CA-C 109.774 -0.454 . . . . 0.0 109.774 175.631 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -92.91 -10.38 36.74 Favored 'General case' 0 N--CA 1.453 -0.289 0 N-CA-C 112.277 0.473 . . . . 0.0 112.277 178.13 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . -101.86 -13.58 31.54 Favored Glycine 0 CA--C 1.532 1.094 0 CA-C-O 119.346 -0.697 . . . . 0.0 113.738 -177.485 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 47.5 mm-40 -133.79 -19.58 2.05 Favored 'General case' 0 CA--C 1.53 0.177 0 CA-C-N 118.666 1.233 . . . . 0.0 112.597 -174.275 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 20.6 t70 -61.49 118.16 6.64 Favored 'General case' 0 N--CA 1.453 -0.312 0 O-C-N 121.181 -0.949 . . . . 0.0 110.113 178.305 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . 86.78 10.83 71.9 Favored Glycine 0 C--N 1.336 0.533 0 N-CA-C 110.957 -0.857 . . . . 0.0 110.957 178.97 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 73' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -75.93 169.8 17.47 Favored 'General case' 0 N--CA 1.45 -0.465 0 N-CA-C 106.276 -1.75 . . . . 0.0 106.276 171.266 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 74' ' ' MET . . . . . . . . . . . . . 33.2 ttm -114.92 120.75 40.99 Favored 'General case' 0 N--CA 1.45 -0.464 0 N-CA-C 109.403 -0.591 . . . . 0.0 109.403 -177.276 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 75' ' ' ILE . . . . . . . . . . . . . 0.2 OUTLIER -128.49 136.03 61.01 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.277 0 N-CA-C 109.645 -0.502 . . . . 0.0 109.645 179.453 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . 54.47 17.78 1.72 Allowed 'General case' 0 CA--C 1.533 0.318 0 C-N-CA 123.129 0.572 . . . . 0.0 112.185 -174.024 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 88.88 4.31 75.57 Favored Glycine 0 CA--C 1.527 0.79 0 CA-C-O 119.816 -0.436 . . . . 0.0 112.232 -179.009 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 78' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -123.98 131.59 53.59 Favored 'General case' 0 N--CA 1.452 -0.331 0 CA-C-N 117.694 0.747 . . . . 0.0 110.418 -179.357 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 79' ' ' VAL . . . . . . . . . . . . . 48.5 t -63.93 141.41 18.21 Favored 'Isoleucine or valine' 0 C--O 1.23 0.042 0 C-N-CA 124.038 0.935 . . . . 0.0 110.462 -178.901 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 29.5 mt -95.68 156.35 16.36 Favored 'General case' 0 N--CA 1.454 -0.268 0 CA-C-O 120.926 0.394 . . . . 0.0 111.587 177.143 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 81' ' ' ASP . . . . . . . . . . . . . 4.3 m-20 -123.4 98.24 5.77 Favored 'General case' 0 N--CA 1.456 -0.139 0 N-CA-C 107.875 -1.157 . . . . 0.0 107.875 176.497 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 82' ' ' ILE . . . . . . . . . . . . . 64.6 mt -113.69 139.76 37.55 Favored 'Isoleucine or valine' 0 CA--C 1.53 0.177 0 C-N-CA 123.087 0.555 . . . . 0.0 110.556 -170.056 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 83' ' ' ASN . . . . . . . . . . . . . 11.2 t30 -157.66 165.67 34.85 Favored 'General case' 0 N--CA 1.456 -0.139 0 C-N-CA 123.329 0.652 . . . . 0.0 109.541 -175.991 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 84' ' ' LEU . . . . . . . . . . . . . 97.7 mt -63.02 151.5 39.61 Favored 'General case' 0 N--CA 1.456 -0.163 0 N-CA-C 109.436 -0.579 . . . . 0.0 109.436 173.208 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . -76.43 2.15 14.45 Favored 'General case' 0 CA--C 1.533 0.312 0 N-CA-C 113.037 0.754 . . . . 0.0 113.037 -178.375 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . -134.08 4.37 3.5 Favored 'General case' 0 C--O 1.232 0.134 0 N-CA-C 112.692 0.627 . . . . 0.0 112.692 -176.603 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 80.9 mm-40 -136.17 52.97 7.07 Favored Pre-proline 0 CA--C 1.531 0.241 0 CA-C-N 118.116 0.416 . . . . 0.0 111.735 -176.389 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 88' ' ' PRO . . . . . . . . . . . . . 57.7 Cg_endo -63.3 145.24 92.81 Favored 'Trans proline' 0 N--CA 1.453 -0.874 0 C-N-CA 122.471 2.114 . . . . 0.0 108.384 178.236 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 89' ' ' LYS . . . . . 0.512 ' HG3' ' H ' ' A' ' 90' ' ' VAL . 5.4 ptpp? -141.74 -70.93 0.35 Allowed 'General case' 0 CA--C 1.529 0.138 0 N-CA-C 114.275 1.213 . . . . 0.0 114.275 -169.645 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 90' ' ' VAL . . . . . 0.512 ' H ' ' HG3' ' A' ' 89' ' ' LYS . 7.0 m -139.34 -24.04 0.35 Allowed 'Isoleucine or valine' 0 C--N 1.334 -0.075 0 N-CA-C 112.626 0.602 . . . . 0.0 112.626 -173.213 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 91' ' ' ASN . . . . . . . . . . . . . 2.7 p30 -94.09 20.4 7.99 Favored 'General case' 0 C--N 1.33 -0.25 0 C-N-CA 123.367 0.667 . . . . 0.0 112.123 -176.64 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 92' ' ' ARG . . . . . . . . . . . . . 66.1 ttp85 -108.11 127.03 53.45 Favored 'General case' 0 N--CA 1.453 -0.295 0 N-CA-C 108.063 -1.088 . . . . 0.0 108.063 174.031 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . -158.84 -141.48 3.15 Favored Glycine 0 CA--C 1.52 0.395 0 N-CA-C 109.955 -1.258 . . . . 0.0 109.955 -177.571 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 59.5 tptt -136.65 -18.76 1.41 Allowed 'General case' 0 N--CA 1.453 -0.316 0 N-CA-C 111.915 0.339 . . . . 0.0 111.915 -178.412 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . -146.95 -178.6 6.28 Favored 'General case' 0 N--CA 1.451 -0.386 0 C-N-CA 122.918 0.487 . . . . 0.0 110.776 -174.919 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . -68.59 -4.63 40.04 Favored Glycine 0 CA--C 1.529 0.929 0 CA-C-O 119.779 -0.456 . . . . 0.0 112.247 179.307 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 97' ' ' VAL . . . . . 0.458 HG12 ' H ' ' A' ' 99' ' ' ARG . 65.5 t -74.97 138.77 20.33 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.288 0 CA-C-N 117.694 0.747 . . . . 0.0 109.398 178.015 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 98' ' ' LYS . . . . . . . . . . . . . 74.5 mmtt -121.58 20.32 11.09 Favored 'General case' 0 CA--C 1.53 0.188 0 C-N-CA 123.204 0.602 . . . . 0.0 111.499 -175.692 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 99' ' ' ARG . . . . . 0.458 ' H ' HG12 ' A' ' 97' ' ' VAL . 90.1 mtt180 -113.96 173.12 6.59 Favored 'General case' 0 N--CA 1.457 -0.124 0 C-N-CA 124.023 0.929 . . . . 0.0 111.061 -179.474 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 6.3 t -67.17 -11.89 58.55 Favored 'General case' 0 N--CA 1.454 -0.263 0 C-N-CA 123.493 0.717 . . . . 0.0 111.754 -178.004 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 101' ' ' ALA . . . . . . . . . . . . . . . 56.86 10.01 0.69 Allowed 'General case' 0 CA--C 1.534 0.347 0 C-N-CA 124.363 1.065 . . . . 0.0 112.53 -174.654 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -146.22 3.82 0.92 Allowed 'General case' 0 CA--C 1.532 0.255 0 C-N-CA 123.8 0.84 . . . . 0.0 111.293 178.496 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 12.8 pt-20 -83.68 -3.71 57.99 Favored 'General case' 0 C--N 1.34 0.186 0 C-N-CA 122.622 0.369 . . . . 0.0 111.563 -177.907 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 104' ' ' MET . . . . . . . . . . . . . 73.9 mtm -110.84 9.66 22.49 Favored 'General case' 0 CA--C 1.531 0.238 0 C-N-CA 123.836 0.855 . . . . 0.0 111.481 -178.744 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 105' ' ' TYR . . . . . . . . . . . . . 65.0 m-85 -127.66 3.93 6.12 Favored 'General case' 0 C--O 1.232 0.134 0 C-N-CA 122.84 0.456 . . . . 0.0 111.461 -177.598 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 106' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--N 1.338 0.682 0 N-CA-C 111.253 -0.739 . . . . 0.0 111.253 179.885 . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' B' B ' 1' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.42 -2.751 2 C5'-C4'-C3' 108.807 -4.462 . 0.0 '__' . 0.0 . . . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 2' ' ' ' U' . . . . . 0.406 " H4'" " H5'" ' B' ' 3' ' ' ' U' . . . . . . . . 0 O4'--C4' 1.421 -2.684 1 O4'-C1'-N19 112.344 4.144 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' B' B ' 3' ' ' ' U' . . . . . 0.406 " H5'" " H4'" ' B' ' 2' ' ' ' U' . . . . . . . . 0 O4'--C4' 1.421 -2.683 0 C5'-C4'-C3' 111.797 -2.469 . 0.305 0b . 0.0 . . . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 4' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.423 -2.503 1 O4'-C1'-N19 112.576 4.376 . 0.19 4b . 0.0 . . . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 5' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.416 -3.125 1 O4'-C1'-N19 113.127 4.927 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.474 0.748 0 N-CA-C 110.966 -0.013 . . . . 0.0 110.966 . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 50.2 m -65.4 159.81 23.34 Favored 'General case' 0 CA--C 1.527 0.065 0 C-N-CA 122.81 0.444 . . . . 0.0 110.789 -179.967 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 4' ' ' ASN . . . . . . . . . . . . . 61.9 t30 -90.28 0.08 57.39 Favored 'General case' 0 CA--C 1.533 0.323 0 C-N-CA 122.42 0.288 . . . . 0.0 111.279 -179.063 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 97.0 t -93.71 134.3 31.85 Favored 'Isoleucine or valine' 0 N--CA 1.456 -0.16 0 O-C-N 122.115 -0.365 . . . . 0.0 111.489 -175.5 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 72.2 p -150.84 6.02 0.51 Allowed 'General case' 0 CA--C 1.533 0.322 0 C-N-CA 123.64 0.776 . . . . 0.0 111.959 -177.43 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 7' ' ' ASN . . . . . . . . . . . . . 42.2 p30 -102.67 22.26 13.97 Favored 'General case' 0 C--O 1.231 0.116 0 N-CA-C 114.087 1.143 . . . . 0.0 114.087 -173.216 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 54.4 mtmt -67.52 148.31 51.65 Favored 'General case' 0 N--CA 1.457 -0.111 0 CA-C-N 118.229 0.468 . . . . 0.0 110.177 177.179 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 74.6 p -123.75 21.53 9.17 Favored 'General case' 0 N--CA 1.463 0.216 0 N-CA-C 112.725 0.639 . . . . 0.0 112.725 -172.937 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 12.4 m-20 -68.99 157.78 88.21 Favored Pre-proline 0 N--CA 1.456 -0.155 0 O-C-N 122.046 -0.409 . . . . 0.0 110.709 179.355 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 11' ' ' PRO . . . . . . . . . . . . . 31.4 Cg_exo -61.67 -0.6 1.58 Allowed 'Trans proline' 0 N--CA 1.456 -0.721 0 C-N-CA 124.046 3.164 . . . . 0.0 114.289 -174.911 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 0.7 OUTLIER -137.67 -26.08 0.98 Allowed 'General case' 0 N--CA 1.455 -0.187 0 CA-C-N 118.365 0.53 . . . . 0.0 110.89 -179.48 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 94.2 p -74.45 -27.86 60.79 Favored 'General case' 0 N--CA 1.457 -0.085 0 O-C-N 121.718 -0.614 . . . . 0.0 110.886 -179.183 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 14' ' ' MET . . . . . . . . . . . . . 18.1 ptm -86.05 3.08 43.96 Favored 'General case' 0 N--CA 1.455 -0.206 0 C-N-CA 120.603 -0.439 . . . . 0.0 112.094 176.07 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 50.2 m-80 -110.44 -25.23 10.16 Favored 'General case' 0 CA--C 1.531 0.218 0 C-N-CA 122.913 0.485 . . . . 0.0 110.186 175.139 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 86.9 p -84.0 1.2 44.88 Favored 'General case' 0 N--CA 1.454 -0.239 0 C-N-CA 122.622 0.369 . . . . 0.0 110.663 169.731 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 30.3 ttp-105 -95.97 150.31 20.6 Favored 'General case' 0 N--CA 1.455 -0.196 0 C-N-CA 123.152 0.581 . . . . 0.0 109.852 175.48 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 64.7 t -124.87 129.24 73.54 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.438 0 C-N-CA 123.119 0.567 . . . . 0.0 109.763 178.388 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 29.0 t80 -90.11 132.61 35.34 Favored 'General case' 0 N--CA 1.449 -0.482 0 N-CA-C 108.914 -0.772 . . . . 0.0 108.914 174.806 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 58.1 mt -120.84 83.46 0.79 Allowed 'Isoleucine or valine' 0 CA--C 1.52 -0.183 0 N-CA-C 107.667 -1.234 . . . . 0.0 107.667 -179.521 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -84.24 176.48 51.61 Favored Glycine 0 N--CA 1.448 -0.557 0 N-CA-C 110.423 -1.071 . . . . 0.0 110.423 178.165 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 49.1 t30 48.9 50.54 17.51 Favored 'General case' 0 N--CA 1.453 -0.323 0 N-CA-C 110.039 -0.356 . . . . 0.0 110.039 -177.692 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 50.0 tp -102.05 143.3 32.06 Favored 'General case' 0 N--CA 1.454 -0.243 0 N-CA-C 109.851 -0.426 . . . . 0.0 109.851 179.852 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 64.1 t30 -70.77 -37.53 73.36 Favored 'General case' 0 C--N 1.34 0.177 0 CA-C-N 117.742 0.246 . . . . 0.0 111.653 -178.061 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 24.1 p 54.1 -2.66 0.02 OUTLIER 'General case' 0 N--CA 1.468 0.425 0 C-N-CA 127.22 2.208 . . . . 0.0 115.472 179.898 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 7.3 mp -90.29 -15.99 30.16 Favored 'General case' 0 N--CA 1.453 -0.292 0 C-N-CA 123.143 0.577 . . . . 0.0 111.492 177.996 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 57.1 t -127.36 -17.66 2.64 Favored 'Isoleucine or valine' 0 CA--C 1.53 0.177 0 C-N-CA 122.667 0.387 . . . . 0.0 110.567 179.194 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 49.8 t -115.3 132.22 65.27 Favored 'Isoleucine or valine' 0 CA--C 1.521 -0.152 0 C-N-CA 122.2 0.2 . . . . 0.0 110.679 178.67 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 73.9 mmtt -123.08 176.72 5.89 Favored 'General case' 0 CA--C 1.52 -0.21 0 C-N-CA 124.018 0.927 . . . . 0.0 110.99 -176.564 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 5.3 ptmm? -69.89 -6.0 29.78 Favored 'General case' 0 N--CA 1.461 0.108 0 CA-C-N 115.207 -0.906 . . . . 0.0 111.866 -179.703 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 39.1 m -101.51 1.0 37.61 Favored 'General case' 0 N--CA 1.455 -0.176 0 C-N-CA 123.856 0.862 . . . . 0.0 110.382 174.67 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 20.8 m-20 -116.6 -32.51 5.17 Favored 'General case' 0 N--CA 1.449 -0.484 0 C-N-CA 123.769 0.828 . . . . 0.0 110.548 179.607 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 70.7 t -64.93 -31.8 55.47 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.195 0 N-CA-C 108.832 -0.803 . . . . 0.0 108.832 177.753 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 25.6 pt-20 -79.66 9.89 4.59 Favored 'General case' 0 CA--C 1.531 0.225 0 N-CA-C 111.858 0.318 . . . . 0.0 111.858 178.063 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -128.06 -7.92 5.42 Favored 'General case' 0 CA--C 1.531 0.239 0 C-N-CA 123.574 0.75 . . . . 0.0 110.891 176.406 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 75.2 mt -109.38 -26.15 3.33 Favored 'Isoleucine or valine' 0 C--N 1.338 0.107 0 C-N-CA 123.236 0.614 . . . . 0.0 110.332 178.642 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 37' ' ' PHE . . . . . . . . . . . . . 59.9 m-85 -104.1 -8.01 19.8 Favored 'General case' 0 N--CA 1.452 -0.34 0 C-N-CA 122.597 0.359 . . . . 0.0 110.865 179.661 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 67.6 p -73.12 -14.71 61.43 Favored 'General case' 0 C--O 1.231 0.113 0 C-N-CA 122.577 0.351 . . . . 0.0 111.462 -179.281 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 13.3 ptmm? -80.08 -11.71 59.74 Favored 'General case' 0 CA--C 1.528 0.12 0 C-N-CA 123.294 0.637 . . . . 0.0 112.231 179.058 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 40' ' ' TYR . . . . . . . . . . . . . 64.5 m-85 -106.98 -16.0 14.55 Favored 'General case' 0 C--O 1.231 0.081 0 C-N-CA 122.564 0.346 . . . . 0.0 111.725 178.447 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -175.26 162.75 32.46 Favored Glycine 0 CA--C 1.525 0.701 0 N-CA-C 112.111 -0.395 . . . . 0.0 112.111 175.073 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 77.1 tttt -73.16 114.5 11.41 Favored 'General case' 0 N--CA 1.454 -0.262 0 N-CA-C 108.832 -0.803 . . . . 0.0 108.832 177.373 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 43' ' ' ILE . . . . . . . . . . . . . 76.1 mt -83.88 127.97 39.27 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.192 0 N-CA-C 109.577 -0.527 . . . . 0.0 109.577 -178.651 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 33.4 m -106.56 -5.41 10.13 Favored 'Isoleucine or valine' 0 C--O 1.232 0.154 0 C-N-CA 123.215 0.606 . . . . 0.0 110.684 178.759 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . -170.51 146.23 9.64 Favored Glycine 0 C--N 1.337 0.617 0 N-CA-C 110.019 -1.232 . . . . 0.0 110.019 176.995 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 46' ' ' CYS . . . . . . . . . . . . . 43.3 t -149.7 143.36 25.42 Favored 'General case' 0 N--CA 1.451 -0.386 0 CA-C-N 117.133 0.466 . . . . 0.0 109.759 -179.706 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 96.2 p -151.13 148.17 27.95 Favored 'General case' 0 N--CA 1.45 -0.469 0 N-CA-C 109.902 -0.407 . . . . 0.0 109.902 177.441 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 48' ' ' VAL . . . . . . . . . . . . . 87.5 t -125.15 147.05 29.88 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.241 0 N-CA-C 109.165 -0.68 . . . . 0.0 109.165 175.623 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 49' ' ' HIS . . . . . . . . . . . . . 46.5 m-70 -135.34 -170.53 2.61 Favored 'General case' 0 N--CA 1.452 -0.329 0 N-CA-C 108.107 -1.072 . . . . 0.0 108.107 -176.441 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 50' ' ' LYS . . . . . 0.524 ' HD2' ' H ' ' A' ' 50' ' ' LYS . 0.0 OUTLIER -83.12 120.41 25.73 Favored 'General case' 0 N--CA 1.454 -0.252 0 O-C-N 121.822 -0.549 . . . . 0.0 110.005 177.475 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 77.44 -8.75 31.8 Favored Glycine 0 CA--C 1.531 1.052 0 CA-C-O 119.235 -0.758 . . . . 0.0 113.685 177.766 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 55.6 p90 -150.96 167.43 27.62 Favored 'General case' 0 CA--C 1.528 0.121 0 CA-C-N 119.001 1.401 . . . . 0.0 111.438 179.344 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -146.27 171.42 14.99 Favored 'General case' 0 CA--C 1.53 0.193 0 C-N-CA 123.65 0.78 . . . . 0.0 110.286 175.911 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 54' ' ' PHE . . . . . . . . . . . . . 15.0 m-85 -138.71 144.82 39.71 Favored 'General case' 0 N--CA 1.455 -0.212 0 C-N-CA 123.434 0.694 . . . . 0.0 110.586 179.725 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 97.5 t -135.72 136.73 50.07 Favored 'Isoleucine or valine' 0 CA--C 1.518 -0.25 0 C-N-CA 123.644 0.778 . . . . 0.0 109.11 178.664 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 56' ' ' GLN . . . . . . . . . . . . . 59.3 tp60 -116.42 129.98 56.52 Favored 'General case' 0 N--CA 1.451 -0.396 0 C-N-CA 122.822 0.449 . . . . 0.0 109.884 -176.739 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 57' ' ' TYR . . . . . . . . . . . . . 48.0 m-85 -111.62 175.96 5.21 Favored 'General case' 0 C--O 1.232 0.143 0 C-N-CA 122.963 0.505 . . . . 0.0 110.882 178.887 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 58' ' ' VAL . . . . . . . . . . . . . 77.6 t -73.08 -30.41 31.6 Favored 'Isoleucine or valine' 0 CA--C 1.529 0.16 0 CA-C-N 116.026 -0.534 . . . . 0.0 110.309 178.797 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 59' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -157.19 169.35 24.97 Favored 'General case' 0 N--CA 1.456 -0.141 0 N-CA-C 112.202 0.445 . . . . 0.0 112.202 178.053 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 66.4 tt0 -59.64 -29.89 68.34 Favored 'General case' 0 N--CA 1.457 -0.106 0 C-N-CA 123.579 0.752 . . . . 0.0 112.438 -177.902 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 25.5 tpt180 -59.12 -40.13 84.46 Favored 'General case' 0 C--N 1.339 0.131 0 CA-C-N 118.957 0.798 . . . . 0.0 110.101 179.729 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 62' ' ' ASN . . . . . . . . . . . . . 17.6 m120 -71.88 -25.5 61.96 Favored 'General case' 0 N--CA 1.449 -0.481 0 O-C-N 122.145 -0.347 . . . . 0.0 110.861 -179.891 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 63' ' ' ALA . . . . . 0.46 ' HB1' ' CD2' ' A' ' 84' ' ' LEU . . . -78.33 -36.3 46.5 Favored 'General case' 0 N--CA 1.454 -0.252 0 N-CA-C 110.379 -0.23 . . . . 0.0 110.379 179.08 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 64' ' ' ARG . . . . . . . . . . . . . 41.0 mmt180 -67.68 -26.84 66.39 Favored 'General case' 0 CA--C 1.523 -0.065 0 C-N-CA 122.518 0.327 . . . . 0.0 110.175 176.907 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -79.19 -33.12 44.19 Favored 'General case' 0 N--CA 1.452 -0.342 0 N-CA-C 110.719 -0.104 . . . . 0.0 110.719 -179.738 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -81.78 -34.78 30.19 Favored 'General case' 0 N--CA 1.451 -0.405 0 CA-C-N 117.765 0.257 . . . . 0.0 111.509 179.46 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 67' ' ' VAL . . . . . . . . . . . . . 47.7 t -64.84 -34.59 71.27 Favored 'Isoleucine or valine' 0 CA--C 1.524 -0.037 0 O-C-N 122.012 -0.43 . . . . 0.0 109.927 175.59 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -90.42 -10.58 43.3 Favored 'General case' 0 CA--C 1.53 0.179 0 N-CA-C 112.015 0.376 . . . . 0.0 112.015 178.94 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . -101.74 -14.4 29.61 Favored Glycine 0 CA--C 1.528 0.897 0 CA-C-O 119.113 -0.826 . . . . 0.0 113.646 -177.313 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 43.3 mm-40 -133.66 -19.82 2.07 Favored 'General case' 0 C--N 1.34 0.154 0 CA-C-N 118.601 1.201 . . . . 0.0 112.772 -173.6 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 22.7 t70 -61.67 118.7 7.44 Favored 'General case' 0 N--CA 1.456 -0.166 0 CA-C-N 119.187 0.903 . . . . 0.0 109.553 178.507 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . 86.08 10.8 74.29 Favored Glycine 0 C--N 1.336 0.544 0 N-CA-C 110.93 -0.868 . . . . 0.0 110.93 179.066 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 73' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -76.09 169.09 18.84 Favored 'General case' 0 N--CA 1.449 -0.499 0 N-CA-C 106.525 -1.658 . . . . 0.0 106.525 171.136 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 74' ' ' MET . . . . . . . . . . . . . 34.2 ttm -114.75 120.48 40.21 Favored 'General case' 0 N--CA 1.447 -0.576 0 N-CA-C 109.16 -0.682 . . . . 0.0 109.16 -177.253 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 75' ' ' ILE . . . . . . . . . . . . . 0.2 OUTLIER -127.23 134.92 64.86 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.419 0 N-CA-C 109.396 -0.594 . . . . 0.0 109.396 179.715 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . 54.45 18.09 1.82 Allowed 'General case' 0 CA--C 1.532 0.262 0 C-N-CA 123.389 0.676 . . . . 0.0 112.152 -174.748 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 89.88 4.2 72.68 Favored Glycine 0 CA--C 1.527 0.833 0 CA-C-O 119.811 -0.438 . . . . 0.0 112.359 -179.294 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 78' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -124.28 130.21 52.12 Favored 'General case' 0 N--CA 1.451 -0.399 0 CA-C-N 117.671 0.735 . . . . 0.0 110.086 -178.847 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 79' ' ' VAL . . . . . . . . . . . . . 46.0 t -63.19 141.51 18.03 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.176 0 C-N-CA 124.232 1.013 . . . . 0.0 110.409 -179.126 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 32.3 mt -96.6 156.23 16.43 Favored 'General case' 0 C--N 1.335 -0.065 0 CA-C-O 120.952 0.406 . . . . 0.0 111.192 177.257 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 81' ' ' ASP . . . . . . . . . . . . . 12.0 m-20 -122.1 106.18 10.94 Favored 'General case' 0 N--CA 1.455 -0.192 0 N-CA-C 107.679 -1.23 . . . . 0.0 107.679 174.128 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 82' ' ' ILE . . . . . . . . . . . . . 62.1 mt -121.54 137.65 54.48 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.175 0 C-N-CA 122.967 0.507 . . . . 0.0 110.921 -170.9 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 83' ' ' ASN . . . . . . . . . . . . . 2.3 p-10 -158.17 167.1 30.75 Favored 'General case' 0 CA--C 1.531 0.234 0 C-N-CA 124.279 1.032 . . . . 0.0 109.068 179.307 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 84' ' ' LEU . . . . . 0.46 ' CD2' ' HB1' ' A' ' 63' ' ' ALA . 49.8 mt -64.16 151.84 42.26 Favored 'General case' 0 CA--C 1.519 -0.229 0 O-C-N 121.857 -0.527 . . . . 0.0 109.847 176.816 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . -68.93 2.5 2.59 Favored 'General case' 0 CA--C 1.532 0.283 0 CA-C-N 116.46 -0.336 . . . . 0.0 111.86 -179.379 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . -128.42 9.36 6.07 Favored 'General case' 0 N--CA 1.454 -0.247 0 C-N-CA 123.253 0.621 . . . . 0.0 111.491 179.471 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 93.7 mt-10 -136.99 68.78 57.48 Favored Pre-proline 0 CA--C 1.532 0.255 0 O-C-N 122.265 -0.272 . . . . 0.0 111.133 -178.932 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 88' ' ' PRO . . . . . . . . . . . . . 96.0 Cg_endo -75.11 38.11 0.52 Allowed 'Trans proline' 0 N--CA 1.453 -0.904 0 C-N-CA 124.215 3.276 . . . . 0.0 110.479 172.314 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 89' ' ' LYS . . . . . 0.49 ' HG3' ' H ' ' A' ' 90' ' ' VAL . 12.9 ptpt -41.24 -53.49 3.18 Favored 'General case' 0 C--N 1.339 0.125 0 C-N-CA 125.078 1.351 . . . . 0.0 113.186 -174.435 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 90' ' ' VAL . . . . . 0.49 ' H ' ' HG3' ' A' ' 89' ' ' LYS . 47.1 t -150.5 -31.05 0.08 OUTLIER 'Isoleucine or valine' 0 N--CA 1.456 -0.158 0 C-N-CA 124.32 1.048 . . . . 0.0 110.328 -175.97 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 91' ' ' ASN . . . . . . . . . . . . . 11.0 m120 -75.87 5.77 5.98 Favored 'General case' 0 N--CA 1.451 -0.408 0 N-CA-C 113.043 0.757 . . . . 0.0 113.043 -170.048 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 92' ' ' ARG . . . . . . . . . . . . . 17.6 tpt180 -70.47 -29.45 66.0 Favored 'General case' 0 C--N 1.34 0.177 0 CA-C-N 118.515 0.598 . . . . 0.0 110.346 178.678 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . 46.91 -134.25 11.6 Favored Glycine 0 C--N 1.337 0.631 0 N-CA-C 110.879 -0.888 . . . . 0.0 110.879 -179.982 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 29.0 tptp -154.36 -45.55 0.09 Allowed 'General case' 0 N--CA 1.452 -0.363 0 N-CA-C 111.877 0.325 . . . . 0.0 111.877 178.19 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . -153.85 169.15 24.08 Favored 'General case' 0 N--CA 1.455 -0.185 0 CA-C-O 120.674 0.273 . . . . 0.0 111.319 -174.773 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . -70.98 -10.46 68.33 Favored Glycine 0 CA--C 1.522 0.513 0 CA-C-N 116.2 -0.455 . . . . 0.0 112.197 179.408 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 97' ' ' VAL . . . . . . . . . . . . . 11.2 p -112.51 132.56 60.9 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.253 0 N-CA-C 108.853 -0.795 . . . . 0.0 108.853 173.956 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 98' ' ' LYS . . . . . . . . . . . . . 91.0 mttt -128.78 19.51 6.1 Favored 'General case' 0 CA--C 1.531 0.228 0 C-N-CA 123.22 0.608 . . . . 0.0 110.746 -176.257 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 99' ' ' ARG . . . . . . . . . . . . . 18.9 tpt180 -104.54 174.52 5.84 Favored 'General case' 0 CA--C 1.529 0.165 0 C-N-CA 124.412 1.085 . . . . 0.0 109.37 -179.234 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 67.8 m -61.72 -16.82 52.5 Favored 'General case' 0 CA--C 1.528 0.121 0 N-CA-C 112.334 0.494 . . . . 0.0 112.334 177.444 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 101' ' ' ALA . . . . . . . . . . . . . . . 52.5 16.16 0.59 Allowed 'General case' 0 CA--C 1.536 0.409 0 C-N-CA 124.148 0.979 . . . . 0.0 112.382 -176.62 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -147.97 14.25 1.03 Allowed 'General case' 0 N--CA 1.451 -0.389 0 C-N-CA 123.358 0.663 . . . . 0.0 111.261 -179.058 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 20.4 pt-20 -70.16 -2.08 12.03 Favored 'General case' 0 CA--C 1.531 0.227 0 N-CA-C 112.599 0.592 . . . . 0.0 112.599 -177.133 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 104' ' ' MET . . . . . . . . . . . . . 75.3 mtm -110.33 6.5 22.44 Favored 'General case' 0 CA--C 1.531 0.227 0 C-N-CA 123.806 0.842 . . . . 0.0 111.545 178.342 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 105' ' ' TYR . . . . . . . . . . . . . 48.8 m-85 -134.68 2.15 3.15 Favored 'General case' 0 CA--C 1.529 0.148 0 C-N-CA 122.795 0.438 . . . . 0.0 111.651 -177.778 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 106' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--N 1.337 0.619 0 N-CA-C 110.827 -0.909 . . . . 0.0 110.827 -179.604 . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' B' B ' 1' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.422 -2.56 1 C5'-C4'-C3' 109.122 -4.252 . 0.0 '__' . 0.0 . . . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 2' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.419 -2.832 1 O4'-C1'-N19 112.505 4.305 . 0.01 4b . 0.0 . . . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 3' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.416 -3.075 0 O4'-C1'-N19 110.856 2.656 . 0.159 0b . 0.0 . . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' B' B ' 4' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.423 -2.482 1 O4'-C1'-N19 112.262 4.062 . 0.28 4b . 0.0 . . . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 5' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.416 -3.081 1 O4'-C1'-N19 112.689 4.489 . 0.57 2h . 0.0 . . . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.472 0.652 0 N-CA-C 110.694 -0.113 . . . . 0.0 110.694 . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 40.2 t -66.23 157.87 30.35 Favored 'General case' 0 C--N 1.333 -0.109 0 C-N-CA 122.574 0.349 . . . . 0.0 110.909 179.368 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 4' ' ' ASN . . . . . . . . . . . . . 2.7 p-10 -88.54 1.48 54.83 Favored 'General case' 0 CA--C 1.529 0.149 0 C-N-CA 122.812 0.445 . . . . 0.0 111.268 178.907 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 91.0 t -95.51 133.01 38.09 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.213 0 C-N-CA 122.884 0.474 . . . . 0.0 110.816 -177.566 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 62.3 p -146.69 10.74 1.08 Allowed 'General case' 0 CA--C 1.53 0.205 0 C-N-CA 123.485 0.714 . . . . 0.0 112.165 179.816 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 7' ' ' ASN . . . . . . . . . . . . . 63.2 t-20 -120.49 107.39 12.81 Favored 'General case' 0 CA--C 1.53 0.199 0 CA-C-N 119.193 0.906 . . . . 0.0 111.793 -179.032 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 55.1 mtmt -148.35 163.99 35.43 Favored 'General case' 0 N--CA 1.46 0.066 0 C-N-CA 125.644 1.578 . . . . 0.0 107.654 173.508 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 82.2 p -127.47 22.28 6.49 Favored 'General case' 0 C--O 1.233 0.196 0 N-CA-C 112.966 0.728 . . . . 0.0 112.966 -175.504 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 13.4 m-20 -66.68 153.87 92.7 Favored Pre-proline 0 N--CA 1.455 -0.187 0 N-CA-C 109.851 -0.425 . . . . 0.0 109.851 177.871 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 11' ' ' PRO . . . . . . . . . . . . . 73.8 Cg_endo -67.11 8.33 0.37 Allowed 'Trans proline' 0 N--CA 1.454 -0.845 0 C-N-CA 123.757 2.971 . . . . 0.0 112.994 -177.303 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -139.7 -29.87 0.72 Allowed 'General case' 0 C--N 1.339 0.14 0 CA-C-N 118.017 0.371 . . . . 0.0 111.488 178.005 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 82.2 p -74.33 -33.04 63.04 Favored 'General case' 0 N--CA 1.454 -0.229 0 CA-C-N 117.968 0.349 . . . . 0.0 111.137 -177.253 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 14' ' ' MET . . . . . . . . . . . . . 16.6 ptm -85.9 -3.25 58.87 Favored 'General case' 0 N--CA 1.454 -0.259 0 C-N-CA 120.589 -0.444 . . . . 0.0 112.041 178.633 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 37.0 m-80 -103.13 -17.46 15.37 Favored 'General case' 0 CA--C 1.533 0.294 0 C-N-CA 122.77 0.428 . . . . 0.0 109.905 175.527 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 15.6 m -91.04 15.02 12.38 Favored 'General case' 0 CA--C 1.531 0.222 0 C-N-CA 123.462 0.705 . . . . 0.0 110.669 172.696 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 36.6 ttm180 -113.32 156.64 23.01 Favored 'General case' 0 CA--C 1.523 -0.085 0 C-N-CA 124.708 1.203 . . . . 0.0 110.115 -175.77 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 64.8 t -130.27 134.09 63.05 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.176 0 CA-C-O 120.791 0.329 . . . . 0.0 110.309 177.022 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 22.3 t80 -94.19 131.72 39.47 Favored 'General case' 0 N--CA 1.451 -0.378 0 C-N-CA 123.878 0.871 . . . . 0.0 108.917 175.259 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 60.1 mt -120.09 84.3 0.83 Allowed 'Isoleucine or valine' 0 CA--C 1.521 -0.16 0 N-CA-C 108.002 -1.11 . . . . 0.0 108.002 -179.592 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -82.69 172.05 51.65 Favored Glycine 0 CA--C 1.524 0.644 0 N-CA-C 111.107 -0.797 . . . . 0.0 111.107 178.774 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 53.8 t30 49.55 49.39 20.02 Favored 'General case' 0 CA--C 1.533 0.311 0 C-N-CA 123.202 0.601 . . . . 0.0 111.237 -179.617 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 53.2 tp -98.55 144.87 27.4 Favored 'General case' 0 N--CA 1.455 -0.188 0 C-N-CA 123.121 0.568 . . . . 0.0 110.171 179.524 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 65.3 t30 -70.07 -39.81 75.4 Favored 'General case' 0 N--CA 1.457 -0.113 0 O-C-N 122.168 -0.332 . . . . 0.0 111.418 -177.963 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 18.2 p 56.46 -1.79 0.04 OUTLIER 'General case' 0 CA--C 1.532 0.265 0 C-N-CA 126.89 2.076 . . . . 0.0 115.389 -179.941 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 7.9 mp -90.78 -16.84 27.67 Favored 'General case' 0 CA--C 1.53 0.184 0 C-N-CA 123.019 0.527 . . . . 0.0 111.274 177.628 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 56.6 t -127.29 -17.89 2.62 Favored 'Isoleucine or valine' 0 CA--C 1.53 0.197 0 C-N-CA 122.754 0.422 . . . . 0.0 110.649 179.822 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 55.0 t -115.02 131.5 67.07 Favored 'Isoleucine or valine' 0 C--N 1.341 0.213 0 O-C-N 122.277 -0.264 . . . . 0.0 110.842 178.589 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 73.5 mmtt -122.64 177.76 5.3 Favored 'General case' 0 CA--C 1.522 -0.1 0 C-N-CA 123.934 0.894 . . . . 0.0 110.699 -177.536 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 10.9 ptmt -71.05 -5.64 32.89 Favored 'General case' 0 C--N 1.333 -0.11 0 C-N-CA 123.833 0.853 . . . . 0.0 112.026 -179.801 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 46.2 m -100.9 0.79 39.09 Favored 'General case' 0 C--N 1.333 -0.15 0 C-N-CA 123.967 0.907 . . . . 0.0 110.498 173.833 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 28.4 m-20 -116.26 -33.42 4.99 Favored 'General case' 0 N--CA 1.452 -0.328 0 C-N-CA 123.866 0.866 . . . . 0.0 110.649 179.69 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 75.6 t -64.69 -31.17 52.59 Favored 'Isoleucine or valine' 0 N--CA 1.456 -0.148 0 N-CA-C 108.95 -0.759 . . . . 0.0 108.95 177.951 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 25.5 pt-20 -79.8 8.09 7.43 Favored 'General case' 0 CA--C 1.532 0.27 0 O-C-N 122.14 -0.35 . . . . 0.0 111.823 178.221 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -126.08 -7.79 6.55 Favored 'General case' 0 N--CA 1.454 -0.227 0 C-N-CA 123.42 0.688 . . . . 0.0 111.025 176.315 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 79.3 mt -108.63 -27.93 2.84 Favored 'Isoleucine or valine' 0 C--N 1.338 0.1 0 C-N-CA 123.062 0.545 . . . . 0.0 110.508 178.607 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 37' ' ' PHE . . . . . . . . . . . . . 58.9 m-85 -102.47 -8.25 21.24 Favored 'General case' 0 N--CA 1.453 -0.29 0 C-N-CA 122.703 0.401 . . . . 0.0 110.933 -179.87 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 66.5 p -72.2 -14.77 61.88 Favored 'General case' 0 C--O 1.23 0.059 0 C-N-CA 122.421 0.288 . . . . 0.0 111.41 -178.758 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 13.2 ptmm? -81.5 -10.39 59.49 Favored 'General case' 0 C--O 1.233 0.2 0 C-N-CA 123.237 0.615 . . . . 0.0 112.189 179.296 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 40' ' ' TYR . . . . . . . . . . . . . 72.1 m-85 -107.09 -14.69 14.86 Favored 'General case' 0 C--O 1.233 0.191 0 C-N-CA 122.728 0.411 . . . . 0.0 111.426 177.914 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -176.37 161.2 29.31 Favored Glycine 0 C--N 1.335 0.516 0 N-CA-C 112.03 -0.428 . . . . 0.0 112.03 174.158 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 78.0 tttt -71.66 114.12 9.42 Favored 'General case' 0 N--CA 1.45 -0.44 0 N-CA-C 108.886 -0.783 . . . . 0.0 108.886 177.34 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 43' ' ' ILE . . . . . . . . . . . . . 72.8 mt -83.3 129.97 36.57 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.344 0 N-CA-C 109.664 -0.495 . . . . 0.0 109.664 -178.199 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 33.5 m -109.61 -6.72 11.2 Favored 'Isoleucine or valine' 0 N--CA 1.457 -0.098 0 C-N-CA 123.223 0.609 . . . . 0.0 110.668 178.753 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . -168.19 145.75 9.9 Favored Glycine 0 C--N 1.338 0.639 0 N-CA-C 109.994 -1.242 . . . . 0.0 109.994 176.946 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 46' ' ' CYS . . . . . . . . . . . . . 49.1 t -150.37 144.46 25.49 Favored 'General case' 0 N--CA 1.453 -0.32 0 N-CA-C 109.864 -0.421 . . . . 0.0 109.864 -179.542 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 22.7 t -153.94 148.22 25.93 Favored 'General case' 0 N--CA 1.453 -0.287 0 N-CA-C 109.986 -0.375 . . . . 0.0 109.986 177.196 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 48' ' ' VAL . . . . . . . . . . . . . 83.6 t -125.45 147.06 30.21 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.264 0 N-CA-C 109.204 -0.665 . . . . 0.0 109.204 177.184 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 49' ' ' HIS . . . . . . . . . . . . . 45.0 m-70 -133.41 -166.92 1.84 Allowed 'General case' 0 N--CA 1.45 -0.438 0 N-CA-C 107.915 -1.143 . . . . 0.0 107.915 -177.407 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 29.7 mmmt -89.78 119.32 30.07 Favored 'General case' 0 N--CA 1.457 -0.108 0 O-C-N 121.807 -0.558 . . . . 0.0 110.088 176.402 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 83.04 -12.99 46.99 Favored Glycine 0 CA--C 1.53 0.987 0 C-N-CA 123.718 0.675 . . . . 0.0 113.107 179.059 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 53.7 p90 -149.93 169.04 22.09 Favored 'General case' 0 CA--C 1.527 0.075 0 CA-C-N 118.541 1.171 . . . . 0.0 111.601 179.659 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -148.11 171.05 16.49 Favored 'General case' 0 N--CA 1.456 -0.164 0 C-N-CA 123.964 0.906 . . . . 0.0 109.881 176.458 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 54' ' ' PHE . . . . . . . . . . . . . 13.1 m-85 -139.65 146.93 40.32 Favored 'General case' 0 N--CA 1.451 -0.388 0 C-N-CA 123.364 0.665 . . . . 0.0 110.653 -179.495 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 97.8 t -135.56 146.71 29.41 Favored 'Isoleucine or valine' 0 CA--C 1.518 -0.282 0 N-CA-C 108.756 -0.831 . . . . 0.0 108.756 178.101 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 56' ' ' GLN . . . . . . . . . . . . . 68.3 tp60 -126.24 132.23 51.76 Favored 'General case' 0 N--CA 1.449 -0.477 0 N-CA-C 109.043 -0.725 . . . . 0.0 109.043 -178.776 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 57' ' ' TYR . . . . . . . . . . . . . 42.7 m-85 -114.5 175.45 5.48 Favored 'General case' 0 N--CA 1.454 -0.256 0 C-N-CA 123.577 0.751 . . . . 0.0 110.453 -179.825 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 58' ' ' VAL . . . . . . . . . . . . . 60.2 t -71.04 -30.1 39.77 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.415 0 CA-C-N 115.857 -0.611 . . . . 0.0 110.346 178.493 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 59' ' ' ASN . . . . . . . . . . . . . 0.0 OUTLIER -156.49 165.85 35.11 Favored 'General case' 0 N--CA 1.454 -0.233 0 N-CA-C 112.42 0.526 . . . . 0.0 112.42 178.063 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 82.9 tt0 -57.2 -29.81 64.02 Favored 'General case' 0 CA--C 1.528 0.13 0 C-N-CA 123.935 0.894 . . . . 0.0 112.742 -179.674 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 19.5 tpp180 -60.06 -37.73 80.74 Favored 'General case' 0 CA--C 1.529 0.147 0 CA-C-N 119.398 0.999 . . . . 0.0 109.897 179.811 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 62' ' ' ASN . . . . . . . . . . . . . 18.1 m120 -72.29 -24.74 61.38 Favored 'General case' 0 N--CA 1.45 -0.445 0 C-N-CA 120.738 -0.385 . . . . 0.0 110.956 179.125 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -75.04 -39.04 61.27 Favored 'General case' 0 N--CA 1.455 -0.219 0 N-CA-C 110.161 -0.311 . . . . 0.0 110.161 178.048 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 64' ' ' ARG . . . . . . . . . . . . . 24.1 mmt180 -66.96 -27.85 67.8 Favored 'General case' 0 C--O 1.23 0.05 0 N-CA-C 110.331 -0.248 . . . . 0.0 110.331 178.386 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -77.23 -33.79 56.04 Favored 'General case' 0 N--CA 1.452 -0.352 0 CA-C-N 117.401 0.092 . . . . 0.0 111.084 -179.261 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -83.13 -34.18 26.11 Favored 'General case' 0 N--CA 1.452 -0.35 0 O-C-N 122.237 -0.289 . . . . 0.0 111.626 179.854 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 67' ' ' VAL . . . . . . . . . . . . . 51.2 t -64.62 -33.95 66.59 Favored 'Isoleucine or valine' 0 C--O 1.23 0.054 0 N-CA-C 110.105 -0.332 . . . . 0.0 110.105 175.675 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -93.03 -10.04 37.6 Favored 'General case' 0 N--CA 1.455 -0.202 0 N-CA-C 112.186 0.439 . . . . 0.0 112.186 178.054 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . -101.2 -14.69 30.07 Favored Glycine 0 CA--C 1.529 0.925 0 CA-C-O 119.139 -0.812 . . . . 0.0 113.753 -177.504 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 45.8 mm-40 -131.85 -16.59 2.9 Favored 'General case' 0 N--CA 1.463 0.198 0 CA-C-N 118.775 1.288 . . . . 0.0 112.695 -175.011 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 25.4 t70 -60.73 119.78 8.81 Favored 'General case' 0 N--CA 1.453 -0.283 0 O-C-N 121.067 -1.021 . . . . 0.0 109.998 177.505 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . 78.64 19.28 73.86 Favored Glycine 0 CA--C 1.529 0.949 0 CA-C-O 119.931 -0.371 . . . . 0.0 112.922 177.857 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 73' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -79.97 -20.11 46.3 Favored 'General case' 0 N--CA 1.467 0.375 0 N-CA-C 113.506 0.928 . . . . 0.0 113.506 -175.118 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 74' ' ' MET . . . . . . . . . . . . . 58.1 ttm 73.34 121.51 0.04 OUTLIER 'General case' 0 C--N 1.327 -0.387 0 C-N-CA 127.058 2.143 . . . . 0.0 111.694 177.735 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 75' ' ' ILE . . . . . . . . . . . . . 0.3 OUTLIER -136.73 139.76 44.29 Favored 'Isoleucine or valine' 0 N--CA 1.446 -0.658 0 CA-C-N 115.092 -0.958 . . . . 0.0 109.44 -176.805 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . 55.28 15.53 1.37 Allowed 'General case' 0 CA--C 1.533 0.324 0 N-CA-C 112.407 0.521 . . . . 0.0 112.407 -175.318 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 91.67 4.4 67.74 Favored Glycine 0 CA--C 1.528 0.885 0 CA-C-O 119.684 -0.509 . . . . 0.0 111.879 -179.429 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 78' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -124.92 131.73 53.39 Favored 'General case' 0 N--CA 1.453 -0.28 0 CA-C-N 117.755 0.778 . . . . 0.0 109.866 -179.376 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 79' ' ' VAL . . . . . . . . . . . . . 38.7 t -65.35 139.34 21.52 Favored 'Isoleucine or valine' 0 CA--C 1.523 -0.085 0 C-N-CA 123.743 0.817 . . . . 0.0 110.453 -176.86 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 26.8 mt -94.62 156.35 16.46 Favored 'General case' 0 N--CA 1.456 -0.137 0 CA-C-O 120.816 0.341 . . . . 0.0 110.603 176.749 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 81' ' ' ASP . . . . . . . . . . . . . 6.1 m-20 -125.32 95.78 4.59 Favored 'General case' 0 N--CA 1.453 -0.304 0 N-CA-C 107.615 -1.254 . . . . 0.0 107.615 177.101 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 82' ' ' ILE . . . . . . . . . . . . . 67.0 mt -109.96 139.11 34.63 Favored 'Isoleucine or valine' 0 N--CA 1.456 -0.172 0 C-N-CA 123.273 0.629 . . . . 0.0 109.899 -170.614 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 83' ' ' ASN . . . . . . . . . . . . . 6.7 t30 -154.12 158.13 39.95 Favored 'General case' 0 CA--C 1.53 0.21 0 N-CA-C 109.783 -0.451 . . . . 0.0 109.783 -175.853 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 84' ' ' LEU . . . . . . . . . . . . . 17.6 tp -60.46 139.69 57.6 Favored 'General case' 0 N--CA 1.45 -0.45 0 N-CA-C 109.174 -0.676 . . . . 0.0 109.174 174.408 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . -71.46 1.71 6.01 Favored 'General case' 0 CA--C 1.531 0.225 0 N-CA-C 113.5 0.926 . . . . 0.0 113.5 -175.216 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . -132.15 2.32 3.93 Favored 'General case' 0 CA--C 1.53 0.211 0 CA-C-N 118.883 0.765 . . . . 0.0 112.825 -176.544 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 80.9 mm-40 -138.65 62.3 28.03 Favored Pre-proline 0 C--O 1.232 0.179 0 CA-C-N 118.101 0.41 . . . . 0.0 110.514 -177.968 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 88' ' ' PRO . . . . . . . . . . . . . 61.0 Cg_endo -66.79 156.24 66.9 Favored 'Trans proline' 0 N--CA 1.454 -0.826 0 C-N-CA 122.878 2.385 . . . . 0.0 109.965 177.7 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 89' ' ' LYS . . . . . 0.47 ' HG3' ' H ' ' A' ' 90' ' ' VAL . 14.3 ptpt -145.17 -97.38 0.1 Allowed 'General case' 0 N--CA 1.454 -0.273 0 C-N-CA 122.788 0.435 . . . . 0.0 111.078 -173.973 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 90' ' ' VAL . . . . . 0.47 ' H ' ' HG3' ' A' ' 89' ' ' LYS . 4.0 m -122.28 -13.94 7.01 Favored 'Isoleucine or valine' 0 C--O 1.231 0.094 0 C-N-CA 124.303 1.041 . . . . 0.0 111.402 -178.189 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 91' ' ' ASN . . . . . . . . . . . . . 23.4 m120 -79.94 15.0 1.57 Allowed 'General case' 0 N--CA 1.455 -0.215 0 C-N-CA 123.48 0.712 . . . . 0.0 112.236 -177.047 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 92' ' ' ARG . . . . . . . . . . . . . 39.3 ttt180 -125.44 127.4 46.46 Favored 'General case' 0 N--CA 1.451 -0.382 0 CA-C-O 121.407 0.622 . . . . 0.0 109.485 175.193 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . -161.25 -141.08 3.03 Favored Glycine 0 CA--C 1.522 0.489 0 N-CA-C 107.42 -2.272 . . . . 0.0 107.42 178.7 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 96.9 mttt -134.44 -28.92 1.25 Allowed 'General case' 0 C--O 1.231 0.121 0 CA-C-N 117.75 0.775 . . . . 0.0 111.416 176.013 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . -163.8 179.3 7.19 Favored 'General case' 0 N--CA 1.453 -0.323 0 C-N-CA 123.24 0.616 . . . . 0.0 110.003 179.378 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . -69.48 -11.16 64.58 Favored Glycine 0 CA--C 1.527 0.843 0 N-CA-C 111.416 -0.674 . . . . 0.0 111.416 176.008 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 97' ' ' VAL . . . . . . . . . . . . . 13.6 p -104.6 141.06 20.9 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.245 0 N-CA-C 109.125 -0.695 . . . . 0.0 109.125 174.693 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 98' ' ' LYS . . . . . . . . . . . . . 8.3 mptt -115.13 29.99 7.66 Favored 'General case' 0 CA--C 1.529 0.145 0 C-N-CA 123.452 0.701 . . . . 0.0 111.553 -175.196 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 99' ' ' ARG . . . . . . . . . . . . . 21.4 tpt180 -136.23 170.48 15.96 Favored 'General case' 0 CA--C 1.529 0.141 0 C-N-CA 123.893 0.877 . . . . 0.0 109.121 179.234 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 67.0 m -61.87 -15.1 39.77 Favored 'General case' 0 C--O 1.232 0.135 0 N-CA-C 112.503 0.557 . . . . 0.0 112.503 179.305 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 101' ' ' ALA . . . . . . . . . . . . . . . 53.0 17.1 0.83 Allowed 'General case' 0 CA--C 1.533 0.303 0 C-N-CA 123.989 0.916 . . . . 0.0 112.209 -176.486 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -148.86 14.23 0.92 Allowed 'General case' 0 N--CA 1.454 -0.267 0 C-N-CA 123.654 0.781 . . . . 0.0 110.946 -178.558 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 20.5 pt-20 -68.36 -4.97 16.35 Favored 'General case' 0 CA--C 1.531 0.221 0 N-CA-C 112.459 0.54 . . . . 0.0 112.459 -175.989 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 104' ' ' MET . . . . . . . . . . . . . 73.5 mtm -105.84 6.54 31.7 Favored 'General case' 0 CA--C 1.533 0.295 0 C-N-CA 123.449 0.7 . . . . 0.0 111.472 178.903 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 105' ' ' TYR . . . . . . . . . . . . . 61.1 m-85 -133.52 -2.09 3.08 Favored 'General case' 0 CA--C 1.53 0.183 0 C-N-CA 122.814 0.446 . . . . 0.0 111.879 -177.599 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 106' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--N 1.339 0.735 0 N-CA-C 111.445 -0.662 . . . . 0.0 111.445 179.066 . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' B' B ' 1' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.423 -2.469 1 C5'-C4'-C3' 108.139 -4.907 . 0.0 '__' . 0.0 . . . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 2' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.42 -2.783 1 O4'-C1'-N19 112.92 4.72 . 0.01 4b . 0.0 . . . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 3' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.421 -2.65 0 C5'-C4'-C3' 111.565 -2.624 . 0.105 0b . 0.0 . . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' B' B ' 4' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.423 -2.499 1 O4'-C1'-N19 112.336 4.136 . 0.137 4b . 0.0 . . . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 5' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.423 -2.505 1 O4'-C1'-N19 113.184 4.984 . 0.6 2u . 0.0 . . . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.471 0.602 0 CA-C-O 120.509 0.195 . . . . 0.0 110.771 . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 52.0 m -68.73 159.97 31.25 Favored 'General case' 0 C--N 1.339 0.129 0 C-N-CA 122.688 0.395 . . . . 0.0 110.779 179.447 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 4' ' ' ASN . . . . . . . . . . . . . 52.8 p-10 -88.92 6.02 41.3 Favored 'General case' 0 CA--C 1.532 0.271 0 C-N-CA 122.756 0.422 . . . . 0.0 111.989 -179.935 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 96.9 t -94.67 134.0 33.64 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.18 0 C-N-CA 123.116 0.567 . . . . 0.0 110.56 -178.223 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 60.7 p -146.66 5.13 0.9 Allowed 'General case' 0 C--N 1.339 0.114 0 C-N-CA 123.205 0.602 . . . . 0.0 111.86 179.265 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 7' ' ' ASN . . . . . . . . . . . . . 62.3 t-20 -103.16 111.65 24.13 Favored 'General case' 0 N--CA 1.455 -0.182 0 O-C-N 121.338 -0.851 . . . . 0.0 110.893 -177.14 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 65.5 mttp -147.86 156.67 42.95 Favored 'General case' 0 N--CA 1.462 0.151 0 C-N-CA 124.646 1.179 . . . . 0.0 108.879 178.0 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 75.1 p -132.12 14.13 4.69 Favored 'General case' 0 C--N 1.333 -0.121 0 CA-C-N 117.856 0.298 . . . . 0.0 111.695 -178.434 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 10.0 m-20 -67.84 154.03 94.22 Favored Pre-proline 0 N--CA 1.455 -0.199 0 C-N-CA 122.877 0.471 . . . . 0.0 110.504 178.977 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 11' ' ' PRO . . . . . . . . . . . . . 72.0 Cg_endo -68.54 12.25 0.25 Allowed 'Trans proline' 0 N--CA 1.457 -0.647 0 C-N-CA 124.442 3.428 . . . . 0.0 113.012 -176.504 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -144.23 -32.89 0.42 Allowed 'General case' 0 C--N 1.339 0.118 0 CA-C-N 117.94 0.336 . . . . 0.0 110.782 174.468 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 14.9 m -77.39 -17.91 57.78 Favored 'General case' 0 N--CA 1.458 -0.068 0 N-CA-C 112.404 0.52 . . . . 0.0 112.404 -176.515 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 14' ' ' MET . . . . . . . . . . . . . 11.3 ptm -95.52 1.45 53.92 Favored 'General case' 0 N--CA 1.457 -0.098 0 CA-C-N 118.793 0.724 . . . . 0.0 111.417 174.486 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 16.6 m120 -108.13 -19.76 13.38 Favored 'General case' 0 N--CA 1.455 -0.222 0 C-N-CA 122.69 0.396 . . . . 0.0 110.481 -179.976 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 70.2 p -86.97 5.06 39.11 Favored 'General case' 0 N--CA 1.456 -0.173 0 C-N-CA 123.412 0.685 . . . . 0.0 110.996 170.911 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 30.2 ttp-105 -100.06 154.43 18.42 Favored 'General case' 0 N--CA 1.456 -0.158 0 C-N-CA 123.576 0.75 . . . . 0.0 110.299 177.671 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 88.1 t -128.09 130.89 69.78 Favored 'Isoleucine or valine' 0 N--CA 1.449 -0.507 0 C-N-CA 123.168 0.587 . . . . 0.0 110.095 177.87 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 16.1 t80 -86.93 133.5 33.59 Favored 'General case' 0 N--CA 1.452 -0.372 0 C-N-CA 123.917 0.887 . . . . 0.0 109.052 175.08 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 64.0 mt -122.0 83.36 0.8 Allowed 'Isoleucine or valine' 0 N--CA 1.455 -0.184 0 N-CA-C 107.797 -1.186 . . . . 0.0 107.797 178.21 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -84.73 173.31 49.14 Favored Glycine 0 CA--C 1.523 0.548 0 N-CA-C 110.998 -0.841 . . . . 0.0 110.998 178.04 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 59.1 t30 48.6 49.15 18.94 Favored 'General case' 0 CA--C 1.532 0.253 0 C-N-CA 123.072 0.549 . . . . 0.0 110.858 -178.666 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 59.4 tp -101.19 146.25 27.75 Favored 'General case' 0 CA--C 1.529 0.148 0 N-CA-C 109.381 -0.6 . . . . 0.0 109.381 179.219 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 64.0 t30 -70.22 -37.25 74.99 Favored 'General case' 0 N--CA 1.455 -0.191 0 O-C-N 122.205 -0.309 . . . . 0.0 111.424 -177.338 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 49.7 p 51.95 7.52 0.05 Allowed 'General case' 0 N--CA 1.465 0.317 0 C-N-CA 126.385 1.874 . . . . 0.0 115.106 178.992 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 6.7 mp -102.03 -14.23 17.22 Favored 'General case' 0 CA--C 1.53 0.175 0 C-N-CA 123.589 0.756 . . . . 0.0 111.095 176.516 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 61.5 t -128.14 -20.14 1.93 Allowed 'Isoleucine or valine' 0 C--O 1.23 0.06 0 C-N-CA 122.937 0.495 . . . . 0.0 110.636 178.773 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 57.4 t -108.27 137.05 41.77 Favored 'Isoleucine or valine' 0 C--O 1.234 0.247 0 O-C-N 122.262 -0.273 . . . . 0.0 110.3 178.003 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -127.31 171.85 11.13 Favored 'General case' 0 C--N 1.337 0.062 0 C-N-CA 124.07 0.948 . . . . 0.0 109.753 -178.582 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 10.7 ptmt -66.77 -5.01 10.45 Favored 'General case' 0 CA--C 1.529 0.135 0 C-N-CA 123.651 0.78 . . . . 0.0 112.638 179.909 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 53.3 p -95.68 -11.63 26.8 Favored 'General case' 0 CA--C 1.529 0.148 0 C-N-CA 123.593 0.757 . . . . 0.0 110.969 174.684 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 39.4 m-20 -103.23 -34.38 8.84 Favored 'General case' 0 N--CA 1.452 -0.37 0 C-N-CA 124.451 1.1 . . . . 0.0 110.691 179.54 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 85.6 t -66.62 -30.61 50.28 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.188 0 N-CA-C 109.014 -0.736 . . . . 0.0 109.014 -179.187 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 25.5 pt-20 -80.15 8.08 7.98 Favored 'General case' 0 CA--C 1.532 0.254 0 N-CA-C 111.818 0.303 . . . . 0.0 111.818 178.178 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -125.92 -9.32 6.62 Favored 'General case' 0 N--CA 1.456 -0.17 0 C-N-CA 123.251 0.62 . . . . 0.0 111.168 176.407 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 73.3 mt -107.26 -28.1 2.87 Favored 'Isoleucine or valine' 0 C--N 1.34 0.193 0 C-N-CA 123.055 0.542 . . . . 0.0 110.591 178.692 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 37' ' ' PHE . . . . . . . . . . . . . 66.1 m-85 -101.86 -8.84 21.27 Favored 'General case' 0 N--CA 1.453 -0.311 0 C-N-CA 122.56 0.344 . . . . 0.0 111.102 179.559 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 26.6 t -73.12 -13.56 61.21 Favored 'General case' 0 CA--C 1.528 0.118 0 O-C-N 122.194 -0.317 . . . . 0.0 111.149 -178.709 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 18.3 ptmt -83.92 -10.8 57.69 Favored 'General case' 0 CA--C 1.53 0.211 0 C-N-CA 122.893 0.477 . . . . 0.0 112.031 179.714 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 40' ' ' TYR . . . . . . . . . . . . . 74.8 m-85 -106.24 -14.73 15.04 Favored 'General case' 0 N--CA 1.463 0.191 0 C-N-CA 122.643 0.377 . . . . 0.0 111.216 177.957 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -176.59 160.21 27.54 Favored Glycine 0 C--N 1.335 0.476 0 N-CA-C 111.877 -0.489 . . . . 0.0 111.877 174.673 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 78.6 tttt -72.11 114.35 10.12 Favored 'General case' 0 N--CA 1.452 -0.35 0 N-CA-C 108.744 -0.836 . . . . 0.0 108.744 178.337 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 43' ' ' ILE . . . . . . . . . . . . . 74.4 mt -83.22 129.28 37.73 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.182 0 N-CA-C 109.745 -0.465 . . . . 0.0 109.745 -178.447 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 34.1 m -108.56 -6.61 10.91 Favored 'Isoleucine or valine' 0 CA--C 1.527 0.07 0 C-N-CA 123.364 0.666 . . . . 0.0 110.731 178.329 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . -172.21 147.42 9.96 Favored Glycine 0 CA--C 1.525 0.696 0 N-CA-C 110.05 -1.22 . . . . 0.0 110.05 177.14 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 46' ' ' CYS . . . . . . . . . . . . . 52.9 t -153.04 144.82 23.56 Favored 'General case' 0 N--CA 1.45 -0.425 0 N-CA-C 109.804 -0.443 . . . . 0.0 109.804 179.777 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 22.6 t -151.53 142.85 23.38 Favored 'General case' 0 N--CA 1.45 -0.471 0 N-CA-C 109.963 -0.384 . . . . 0.0 109.963 177.265 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 48' ' ' VAL . . . . . . . . . . . . . 93.8 t -120.0 146.23 25.09 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.376 0 N-CA-C 109.186 -0.672 . . . . 0.0 109.186 178.245 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 49' ' ' HIS . . . . . . . . . . . . . 43.4 m-70 -131.78 -163.17 1.3 Allowed 'General case' 0 N--CA 1.452 -0.353 0 C-N-CA 124.458 1.103 . . . . 0.0 108.036 -176.677 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 7.0 tmtt? -93.18 114.38 26.86 Favored 'General case' 0 N--CA 1.454 -0.269 0 N-CA-C 109.307 -0.627 . . . . 0.0 109.307 177.829 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 85.62 -11.42 61.7 Favored Glycine 0 CA--C 1.528 0.888 0 CA-C-O 119.674 -0.515 . . . . 0.0 113.289 178.636 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 50.5 p90 -149.83 167.24 27.13 Favored 'General case' 0 N--CA 1.456 -0.129 0 CA-C-N 118.576 1.188 . . . . 0.0 111.545 179.254 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -148.63 172.27 14.82 Favored 'General case' 0 N--CA 1.455 -0.207 0 C-N-CA 123.837 0.855 . . . . 0.0 110.389 176.897 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 54' ' ' PHE . . . . . . . . . . . . . 21.9 m-85 -140.95 145.93 36.68 Favored 'General case' 0 N--CA 1.453 -0.308 0 C-N-CA 123.915 0.886 . . . . 0.0 110.79 179.75 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 96.8 t -135.98 136.13 49.94 Favored 'Isoleucine or valine' 0 CA--C 1.519 -0.241 0 C-N-CA 123.573 0.749 . . . . 0.0 109.181 178.17 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 56' ' ' GLN . . . . . . . . . . . . . 58.2 tp60 -115.58 130.29 56.82 Favored 'General case' 0 N--CA 1.45 -0.454 0 C-N-CA 123.343 0.657 . . . . 0.0 109.541 -177.374 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 57' ' ' TYR . . . . . . . . . . . . . 43.2 m-85 -111.38 177.25 4.72 Favored 'General case' 0 N--CA 1.454 -0.247 0 C-N-CA 123.396 0.678 . . . . 0.0 110.758 179.47 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 58' ' ' VAL . . . . . . . . . . . . . 68.7 t -72.47 -31.39 37.89 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.183 0 CA-C-N 116.517 -0.311 . . . . 0.0 110.218 178.45 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 59' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -155.36 169.55 23.97 Favored 'General case' 0 C--O 1.231 0.129 0 CA-C-O 121.144 0.497 . . . . 0.0 112.331 178.901 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 74.3 tt0 -59.55 -30.53 68.69 Favored 'General case' 0 N--CA 1.455 -0.205 0 C-N-CA 123.883 0.873 . . . . 0.0 112.215 -178.301 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 19.2 tpp180 -59.7 -38.57 81.96 Favored 'General case' 0 N--CA 1.456 -0.134 0 CA-C-N 118.912 0.778 . . . . 0.0 109.923 -179.916 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 62' ' ' ASN . . . . . . . . . . . . . 19.5 m120 -71.44 -25.04 62.14 Favored 'General case' 0 N--CA 1.452 -0.345 0 C-N-CA 121.08 -0.248 . . . . 0.0 111.047 179.637 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -74.68 -37.59 62.62 Favored 'General case' 0 N--CA 1.454 -0.228 0 N-CA-C 110.372 -0.233 . . . . 0.0 110.372 177.982 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 64' ' ' ARG . . . . . . . . . . . . . 32.1 mmt180 -69.75 -26.45 64.31 Favored 'General case' 0 N--CA 1.457 -0.088 0 N-CA-C 110.606 -0.146 . . . . 0.0 110.606 179.392 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -78.36 -33.38 49.05 Favored 'General case' 0 N--CA 1.454 -0.237 0 CA-C-N 117.389 0.086 . . . . 0.0 110.877 -179.743 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -82.31 -35.8 27.6 Favored 'General case' 0 N--CA 1.452 -0.372 0 O-C-N 122.024 -0.422 . . . . 0.0 111.452 179.217 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 67' ' ' VAL . . . . . . . . . . . . . 52.0 t -64.98 -30.78 51.37 Favored 'Isoleucine or valine' 0 C--O 1.227 -0.097 0 N-CA-C 109.904 -0.406 . . . . 0.0 109.904 176.038 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -94.33 -10.31 33.12 Favored 'General case' 0 N--CA 1.455 -0.2 0 O-C-N 122.108 -0.37 . . . . 0.0 111.857 177.772 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . -101.93 -13.08 32.69 Favored Glycine 0 CA--C 1.532 1.113 0 CA-C-O 119.216 -0.769 . . . . 0.0 113.924 -177.415 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 24.7 mm-40 -135.56 -19.38 1.63 Allowed 'General case' 0 N--CA 1.465 0.278 0 CA-C-N 118.671 1.236 . . . . 0.0 112.561 -174.282 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 18.9 t0 -61.96 118.32 7.1 Favored 'General case' 0 N--CA 1.455 -0.177 0 CA-C-N 119.425 1.011 . . . . 0.0 110.244 178.893 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . 87.2 9.96 72.27 Favored Glycine 0 C--N 1.336 0.577 0 N-CA-C 111.115 -0.794 . . . . 0.0 111.115 179.258 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 73' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -75.95 168.8 19.37 Favored 'General case' 0 N--CA 1.45 -0.427 0 N-CA-C 106.482 -1.673 . . . . 0.0 106.482 171.511 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 74' ' ' MET . . . . . . . . . . . . . 32.4 ttm -113.69 121.61 44.63 Favored 'General case' 0 N--CA 1.45 -0.453 0 N-CA-C 109.342 -0.614 . . . . 0.0 109.342 -176.97 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 75' ' ' ILE . . . . . . . . . . . . . 0.2 OUTLIER -129.11 136.39 59.72 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.28 0 N-CA-C 109.335 -0.616 . . . . 0.0 109.335 179.692 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . 54.37 17.35 1.53 Allowed 'General case' 0 CA--C 1.531 0.238 0 C-N-CA 123.324 0.649 . . . . 0.0 112.204 -174.177 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 89.61 4.66 72.86 Favored Glycine 0 CA--C 1.527 0.81 0 CA-C-O 119.753 -0.47 . . . . 0.0 112.194 -179.111 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 78' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -124.65 132.12 53.43 Favored 'General case' 0 N--CA 1.451 -0.383 0 CA-C-N 117.897 0.849 . . . . 0.0 110.503 -179.531 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 79' ' ' VAL . . . . . . . . . . . . . 47.2 t -64.29 140.08 20.29 Favored 'Isoleucine or valine' 0 N--CA 1.462 0.172 0 C-N-CA 124.492 1.117 . . . . 0.0 110.434 -179.029 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 30.4 mt -94.02 156.65 16.49 Favored 'General case' 0 N--CA 1.458 -0.075 0 CA-C-O 120.938 0.399 . . . . 0.0 111.394 177.509 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 81' ' ' ASP . . . . . . . . . . . . . 56.1 t0 -122.22 97.19 5.36 Favored 'General case' 0 N--CA 1.456 -0.15 0 N-CA-C 107.628 -1.249 . . . . 0.0 107.628 174.365 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 82' ' ' ILE . . . . . . . . . . . . . 67.4 mt -111.15 140.19 31.57 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.39 0 C-N-CA 123.156 0.582 . . . . 0.0 109.739 -171.288 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 83' ' ' ASN . . . . . . . . . . . . . 1.6 t30 -156.15 157.36 35.82 Favored 'General case' 0 N--CA 1.453 -0.31 0 CA-C-O 120.693 0.283 . . . . 0.0 110.785 -172.854 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 84' ' ' LEU . . . . . 0.4 HD22 ' HA ' ' A' ' 84' ' ' LEU . 1.2 tm? -59.58 131.06 49.79 Favored 'General case' 0 N--CA 1.453 -0.282 0 N-CA-C 107.914 -1.143 . . . . 0.0 107.914 172.6 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . -65.76 1.44 1.32 Allowed 'General case' 0 CA--C 1.532 0.288 0 N-CA-C 114.688 1.366 . . . . 0.0 114.688 -172.592 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . -134.77 3.94 3.28 Favored 'General case' 0 N--CA 1.454 -0.233 0 CA-C-N 118.903 0.774 . . . . 0.0 112.775 -177.62 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 73.2 mt-10 -140.91 63.55 19.3 Favored Pre-proline 0 C--O 1.231 0.106 0 N-CA-C 110.036 -0.357 . . . . 0.0 110.036 -179.637 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 88' ' ' PRO . . . . . . . . . . . . . 33.3 Cg_endo -57.33 135.43 70.06 Favored 'Trans proline' 0 N--CA 1.456 -0.696 0 C-N-CA 123.102 2.535 . . . . 0.0 109.514 -179.196 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 89' ' ' LYS . . . . . 0.424 ' HG3' ' H ' ' A' ' 90' ' ' VAL . 3.0 ptpp? -47.04 -65.59 0.54 Allowed 'General case' 0 CA--C 1.529 0.16 0 C-N-CA 124.299 1.04 . . . . 0.0 113.448 -170.738 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 90' ' ' VAL . . . . . 0.424 ' H ' ' HG3' ' A' ' 89' ' ' LYS . 55.4 t -146.91 -42.24 0.11 Allowed 'Isoleucine or valine' 0 CA--C 1.522 -0.099 0 C-N-CA 123.125 0.57 . . . . 0.0 109.515 177.967 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 91' ' ' ASN . . . . . . . . . . . . . 8.1 p30 -144.22 160.7 40.51 Favored 'General case' 0 N--CA 1.447 -0.602 0 N-CA-C 108.425 -0.954 . . . . 0.0 108.425 -178.131 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 92' ' ' ARG . . . . . . . . . . . . . 27.5 ttm180 -80.9 -18.55 46.84 Favored 'General case' 0 N--CA 1.456 -0.169 0 CA-C-O 120.783 0.325 . . . . 0.0 110.906 -179.914 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . 83.57 -58.76 5.01 Favored Glycine 0 CA--C 1.523 0.544 0 C-N-CA 123.468 0.556 . . . . 0.0 112.841 174.55 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 94' ' ' LYS . . . . . 0.457 ' HA ' " H2'" ' B' ' 1' ' ' ' U' . 50.8 mtmt 56.7 -1.83 0.05 OUTLIER 'General case' 0 CA--C 1.529 0.155 0 N-CA-C 115.277 1.584 . . . . 0.0 115.277 -178.611 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . -151.14 147.87 27.58 Favored 'General case' 0 N--CA 1.451 -0.406 0 CA-C-N 118.637 0.653 . . . . 0.0 110.191 -178.71 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . -80.5 -9.18 86.77 Favored Glycine 0 CA--C 1.527 0.835 0 N-CA-C 112.235 -0.346 . . . . 0.0 112.235 -178.909 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 97' ' ' VAL . . . . . 0.46 HG22 ' H ' ' A' ' 99' ' ' ARG . 14.9 p -102.66 138.61 26.26 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.215 0 N-CA-C 109.275 -0.639 . . . . 0.0 109.275 177.965 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 98' ' ' LYS . . . . . . . . . . . . . 72.7 mmtt -117.47 14.42 14.59 Favored 'General case' 0 CA--C 1.529 0.161 0 C-N-CA 123.098 0.559 . . . . 0.0 111.865 -175.526 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 99' ' ' ARG . . . . . 0.46 ' H ' HG22 ' A' ' 97' ' ' VAL . 83.4 mtt-85 -133.49 174.78 10.04 Favored 'General case' 0 N--CA 1.455 -0.178 0 C-N-CA 124.117 0.967 . . . . 0.0 111.044 -178.247 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 30.8 m -68.82 -10.87 59.26 Favored 'General case' 0 N--CA 1.453 -0.324 0 C-N-CA 123.662 0.785 . . . . 0.0 112.474 -179.08 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 101' ' ' ALA . . . . . . . . . . . . . . . 54.61 11.42 0.44 Allowed 'General case' 0 CA--C 1.534 0.349 0 C-N-CA 124.22 1.008 . . . . 0.0 112.967 -176.362 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -146.13 5.84 0.99 Allowed 'General case' 0 N--CA 1.454 -0.259 0 C-N-CA 123.615 0.766 . . . . 0.0 111.274 179.296 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 12.5 pt-20 -82.26 -2.17 51.72 Favored 'General case' 0 CA--C 1.53 0.183 0 C-N-CA 123.386 0.674 . . . . 0.0 112.014 -177.273 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 104' ' ' MET . . . . . . . . . . . . . 73.6 mtm -110.64 8.55 22.77 Favored 'General case' 0 C--O 1.231 0.125 0 C-N-CA 123.679 0.792 . . . . 0.0 111.68 -178.813 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 105' ' ' TYR . . . . . . . . . . . . . 38.1 m-85 -133.23 5.54 3.81 Favored 'General case' 0 CA--C 1.53 0.179 0 C-N-CA 122.743 0.417 . . . . 0.0 111.749 -177.879 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 106' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--N 1.335 0.517 0 N-CA-C 111.363 -0.695 . . . . 0.0 111.363 179.645 . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' B' B ' 1' ' ' ' U' . . . . . 0.457 " H2'" ' HA ' ' A' ' 94' ' ' LYS . . . . . . . . 0 O4'--C4' 1.424 -2.406 1 C5'-C4'-C3' 107.947 -5.035 . 0.0 '__' . 0.0 . . . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 2' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.421 -2.645 1 O4'-C1'-N19 112.852 4.652 . 0.0 OUTLIER '7D dist 4b' 0.0 . . . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 3' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.422 -2.616 0 C5'-C4'-C3' 111.647 -2.568 . 0.125 0b . 0.0 . . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' B' B ' 4' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.422 -2.571 0 O4'-C1'-N19 112.123 3.923 . 0.182 4b . 0.0 . . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' B' B ' 5' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.415 -3.134 0 O4'-C1'-N19 112.081 3.881 . 0.592 2h . 0.0 . . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.474 0.775 0 CA-C-O 119.645 -0.217 . . . . 0.0 111.144 . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 78.3 p -147.85 -6.18 0.45 Allowed 'General case' 0 N--CA 1.464 0.257 0 N-CA-C 112.514 0.561 . . . . 0.0 112.514 178.378 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 4' ' ' ASN . . . . . . . . . . . . . 64.8 t30 59.08 18.3 6.26 Favored 'General case' 0 CA--C 1.534 0.341 0 C-N-CA 124.213 1.005 . . . . 0.0 112.156 -175.133 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 91.7 t -131.96 134.95 59.35 Favored 'Isoleucine or valine' 0 C--N 1.34 0.194 0 C-N-CA 122.943 0.497 . . . . 0.0 110.09 -179.674 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 68.5 p -147.89 1.25 0.66 Allowed 'General case' 0 CA--C 1.528 0.12 0 N-CA-C 112.251 0.463 . . . . 0.0 112.251 -176.603 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 7' ' ' ASN . . . . . . . . . . . . . 63.1 t-20 -100.39 99.47 10.11 Favored 'General case' 0 N--CA 1.455 -0.197 0 O-C-N 121.41 -0.806 . . . . 0.0 110.886 -175.957 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 8' ' ' LYS . . . . . 0.458 ' HE3' ' HB3' ' A' ' 13' ' ' SER . 51.0 mtmt -144.26 151.96 40.14 Favored 'General case' 0 C--N 1.335 -0.056 0 C-N-CA 124.365 1.066 . . . . 0.0 109.36 176.939 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 62.4 p -124.88 16.73 8.62 Favored 'General case' 0 N--CA 1.462 0.154 0 C-N-CA 122.64 0.376 . . . . 0.0 111.783 -177.304 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 14.1 m-20 -68.97 157.41 89.19 Favored Pre-proline 0 CA--C 1.53 0.195 0 C-N-CA 122.801 0.44 . . . . 0.0 110.423 178.252 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 11' ' ' PRO . . . . . . . . . . . . . 91.4 Cg_exo -51.3 -33.28 44.78 Favored 'Trans proline' 0 N--CA 1.455 -0.748 0 C-N-CA 124.377 3.385 . . . . 0.0 113.954 -172.693 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 55.8 ttt180 -110.54 -33.75 6.5 Favored 'General case' 0 N--CA 1.451 -0.392 0 CA-C-N 116.421 -0.354 . . . . 0.0 111.064 -175.36 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 13' ' ' SER . . . . . 0.458 ' HB3' ' HE3' ' A' ' 8' ' ' LYS . 73.5 m -65.41 -27.21 68.38 Favored 'General case' 0 N--CA 1.457 -0.1 0 CA-C-N 118.318 0.508 . . . . 0.0 111.922 -179.487 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 14' ' ' MET . . . . . . . . . . . . . 15.5 ttm -84.74 -21.72 29.95 Favored 'General case' 0 CA--C 1.532 0.264 0 CA-C-N 118.364 0.529 . . . . 0.0 111.382 178.993 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 59.8 m-80 -97.43 -14.37 21.22 Favored 'General case' 0 CA--C 1.529 0.163 0 CA-C-N 118.221 0.464 . . . . 0.0 111.096 178.943 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 14.6 m -90.85 5.24 49.27 Favored 'General case' 0 N--CA 1.455 -0.191 0 C-N-CA 123.192 0.597 . . . . 0.0 111.114 172.718 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 29.9 ttp-105 -102.07 152.36 21.07 Favored 'General case' 0 C--N 1.341 0.218 0 C-N-CA 123.578 0.751 . . . . 0.0 110.036 179.545 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 79.3 t -128.76 132.74 67.37 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.243 0 C-N-CA 122.962 0.505 . . . . 0.0 109.761 177.449 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 29.8 t80 -94.78 136.17 35.4 Favored 'General case' 0 N--CA 1.452 -0.332 0 C-N-CA 124.001 0.92 . . . . 0.0 109.292 175.934 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 56.8 mt -123.26 85.98 1.0 Allowed 'Isoleucine or valine' 0 N--CA 1.455 -0.194 0 N-CA-C 108.054 -1.091 . . . . 0.0 108.054 -178.452 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -83.93 173.52 50.68 Favored Glycine 0 CA--C 1.525 0.709 0 N-CA-C 110.93 -0.868 . . . . 0.0 110.93 178.125 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 8.9 t30 50.55 42.52 26.81 Favored 'General case' 0 CA--C 1.531 0.225 0 C-N-CA 123.066 0.546 . . . . 0.0 111.097 179.199 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 53.6 tp -94.62 144.42 25.62 Favored 'General case' 0 CA--C 1.532 0.254 0 C-N-CA 123.509 0.724 . . . . 0.0 109.331 179.547 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 64.4 t30 -68.23 -36.97 80.32 Favored 'General case' 0 C--O 1.226 -0.148 0 C-N-CA 120.825 -0.35 . . . . 0.0 111.408 -178.052 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 44.5 p 51.08 8.71 0.04 OUTLIER 'General case' 0 N--CA 1.466 0.364 0 C-N-CA 126.386 1.874 . . . . 0.0 114.998 179.166 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 6.8 mp -103.82 -14.7 15.94 Favored 'General case' 0 C--O 1.23 0.064 0 C-N-CA 123.526 0.73 . . . . 0.0 111.17 176.961 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 58.3 t -127.51 -18.43 2.43 Favored 'Isoleucine or valine' 0 CA--C 1.529 0.171 0 C-N-CA 122.947 0.499 . . . . 0.0 110.54 178.467 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 65.4 t -109.1 143.05 20.03 Favored 'Isoleucine or valine' 0 CA--C 1.528 0.124 0 N-CA-C 109.71 -0.478 . . . . 0.0 109.71 177.706 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -135.81 173.29 11.88 Favored 'General case' 0 N--CA 1.457 -0.111 0 C-N-CA 123.332 0.653 . . . . 0.0 110.105 -177.869 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 3.9 ptmm? -65.59 -5.3 7.81 Favored 'General case' 0 CA--C 1.529 0.15 0 C-N-CA 124.041 0.936 . . . . 0.0 112.451 -179.426 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 54.0 p -97.68 -12.93 21.82 Favored 'General case' 0 CA--C 1.529 0.158 0 C-N-CA 123.654 0.782 . . . . 0.0 110.872 175.573 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 55.1 m-20 -100.89 -35.11 9.52 Favored 'General case' 0 N--CA 1.451 -0.402 0 C-N-CA 124.222 1.009 . . . . 0.0 111.03 178.603 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 71.4 t -63.07 -32.74 57.32 Favored 'Isoleucine or valine' 0 CA--C 1.528 0.097 0 N-CA-C 109.406 -0.59 . . . . 0.0 109.406 179.484 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 24.1 pt-20 -79.81 8.16 7.32 Favored 'General case' 0 CA--C 1.531 0.224 0 N-CA-C 111.979 0.363 . . . . 0.0 111.979 178.955 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -127.07 -7.55 5.98 Favored 'General case' 0 CA--C 1.53 0.193 0 C-N-CA 123.244 0.618 . . . . 0.0 111.426 177.159 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 74.9 mt -109.68 -27.47 2.89 Favored 'Isoleucine or valine' 0 C--O 1.226 -0.133 0 C-N-CA 123.173 0.589 . . . . 0.0 110.704 178.608 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 37' ' ' PHE . . . . . . . . . . . . . 67.5 m-85 -103.01 -9.13 20.05 Favored 'General case' 0 N--CA 1.453 -0.282 0 C-N-CA 122.497 0.319 . . . . 0.0 110.812 179.559 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 22.9 t -74.34 -11.34 60.23 Favored 'General case' 0 CA--C 1.528 0.127 0 CA-C-O 120.796 0.331 . . . . 0.0 111.096 -178.742 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 18.6 ptmt -83.47 -11.57 57.34 Favored 'General case' 0 C--N 1.339 0.151 0 C-N-CA 122.956 0.502 . . . . 0.0 111.942 179.416 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 40' ' ' TYR . . . . . . . . . . . . . 74.1 m-85 -105.17 -16.31 14.82 Favored 'General case' 0 C--O 1.231 0.119 0 C-N-CA 122.532 0.333 . . . . 0.0 111.275 178.267 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -176.37 161.0 29.01 Favored Glycine 0 C--N 1.334 0.445 0 N-CA-C 111.455 -0.658 . . . . 0.0 111.455 174.276 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 56.2 tttp -70.77 116.84 11.55 Favored 'General case' 0 N--CA 1.452 -0.326 0 N-CA-C 108.918 -0.771 . . . . 0.0 108.918 177.747 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 43' ' ' ILE . . . . . . . . . . . . . 74.5 mt -82.95 131.35 33.94 Favored 'Isoleucine or valine' 0 C--N 1.333 -0.141 0 N-CA-C 109.413 -0.588 . . . . 0.0 109.413 -178.941 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 30.6 m -114.32 -2.16 10.18 Favored 'Isoleucine or valine' 0 CA--C 1.523 -0.083 0 C-N-CA 123.899 0.879 . . . . 0.0 110.81 179.46 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . -171.62 148.16 10.77 Favored Glycine 0 CA--C 1.522 0.523 0 N-CA-C 110.131 -1.188 . . . . 0.0 110.131 177.235 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 46' ' ' CYS . . . . . . . . . . . . . 28.4 p -155.63 148.98 24.81 Favored 'General case' 0 N--CA 1.452 -0.366 0 N-CA-C 109.878 -0.416 . . . . 0.0 109.878 -178.704 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 32.8 t -158.78 139.35 12.56 Favored 'General case' 0 N--CA 1.453 -0.317 0 N-CA-C 109.285 -0.635 . . . . 0.0 109.285 176.83 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 48' ' ' VAL . . . . . . . . . . . . . 98.6 t -116.82 150.39 18.83 Favored 'Isoleucine or valine' 0 CA--C 1.519 -0.214 0 N-CA-C 109.13 -0.692 . . . . 0.0 109.13 176.653 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 49' ' ' HIS . . . . . . . . . . . . . 59.0 m-70 -135.8 -165.75 1.75 Allowed 'General case' 0 N--CA 1.45 -0.457 0 N-CA-C 108.113 -1.069 . . . . 0.0 108.113 -178.482 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 75.3 mmtt -89.37 119.33 29.74 Favored 'General case' 0 N--CA 1.455 -0.213 0 CA-C-N 118.379 0.536 . . . . 0.0 109.787 176.182 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 80.89 -10.27 47.97 Favored Glycine 0 CA--C 1.533 1.186 0 CA-C-O 119.44 -0.644 . . . . 0.0 113.775 178.354 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 49.4 p90 -151.44 168.28 25.35 Favored 'General case' 0 CA--C 1.528 0.109 0 CA-C-N 118.496 1.148 . . . . 0.0 111.56 178.879 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -149.26 171.78 15.94 Favored 'General case' 0 N--CA 1.453 -0.289 0 C-N-CA 123.795 0.838 . . . . 0.0 110.138 177.421 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 54' ' ' PHE . . . . . . . . . . . . . 22.8 m-85 -139.27 145.75 39.54 Favored 'General case' 0 N--CA 1.456 -0.127 0 C-N-CA 123.851 0.86 . . . . 0.0 110.602 179.548 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 95.9 t -136.55 140.73 42.78 Favored 'Isoleucine or valine' 0 C--O 1.226 -0.171 0 C-N-CA 123.917 0.887 . . . . 0.0 109.352 178.679 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 56' ' ' GLN . . . . . . . . . . . . . 66.6 tp60 -120.58 134.27 55.3 Favored 'General case' 0 N--CA 1.452 -0.375 0 N-CA-C 109.244 -0.65 . . . . 0.0 109.244 -177.898 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 57' ' ' TYR . . . . . . . . . . . . . 49.7 m-85 -115.03 174.38 6.01 Favored 'General case' 0 N--CA 1.455 -0.188 0 C-N-CA 123.142 0.577 . . . . 0.0 110.961 -179.453 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 58' ' ' VAL . . . . . . . . . . . . . 87.2 t -68.75 -31.85 52.51 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.214 0 CA-C-N 116.069 -0.514 . . . . 0.0 110.096 178.235 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 59' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -157.24 168.8 26.36 Favored 'General case' 0 C--O 1.233 0.191 0 N-CA-C 112.312 0.486 . . . . 0.0 112.312 176.846 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 81.1 tt0 -56.48 -31.81 64.39 Favored 'General case' 0 N--CA 1.455 -0.2 0 C-N-CA 124.107 0.963 . . . . 0.0 112.771 -179.352 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 25.7 tpt180 -58.52 -39.55 80.43 Favored 'General case' 0 C--N 1.338 0.094 0 CA-C-N 119.341 0.973 . . . . 0.0 109.969 179.919 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 62' ' ' ASN . . . . . . . . . . . . . 20.0 m120 -71.97 -24.53 61.61 Favored 'General case' 0 N--CA 1.45 -0.438 0 C-N-CA 121.134 -0.226 . . . . 0.0 110.761 -179.733 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -76.74 -37.92 55.12 Favored 'General case' 0 N--CA 1.454 -0.238 0 N-CA-C 110.264 -0.272 . . . . 0.0 110.264 178.409 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 64' ' ' ARG . . . . . . . . . . . . . 40.2 mmt180 -68.22 -25.76 65.37 Favored 'General case' 0 CA--C 1.522 -0.114 0 N-CA-C 110.385 -0.228 . . . . 0.0 110.385 178.054 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -80.33 -33.22 37.63 Favored 'General case' 0 N--CA 1.454 -0.234 0 CA-C-N 117.64 0.2 . . . . 0.0 110.857 -178.958 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -80.72 -35.23 33.75 Favored 'General case' 0 N--CA 1.454 -0.245 0 C-N-CA 121.236 -0.185 . . . . 0.0 111.257 178.935 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 67' ' ' VAL . . . . . . . . . . . . . 45.5 t -64.44 -35.12 73.45 Favored 'Isoleucine or valine' 0 N--CA 1.457 -0.089 0 N-CA-C 110.002 -0.37 . . . . 0.0 110.002 175.605 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -90.61 -10.02 44.87 Favored 'General case' 0 N--CA 1.455 -0.202 0 N-CA-C 112.104 0.409 . . . . 0.0 112.104 179.263 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . -102.87 -13.17 30.23 Favored Glycine 0 CA--C 1.531 1.081 0 CA-C-O 119.032 -0.871 . . . . 0.0 113.741 -177.534 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 42.6 mm-40 -133.46 -20.12 2.1 Favored 'General case' 0 CA--C 1.529 0.158 0 CA-C-N 118.992 1.396 . . . . 0.0 112.376 -173.401 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 24.4 t0 -62.06 116.28 4.8 Favored 'General case' 0 N--CA 1.454 -0.239 0 CA-C-N 118.991 0.814 . . . . 0.0 109.917 178.954 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . 88.92 9.83 67.48 Favored Glycine 0 CA--C 1.524 0.631 0 N-CA-C 111.167 -0.773 . . . . 0.0 111.167 179.862 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 73' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -75.62 169.88 17.25 Favored 'General case' 0 N--CA 1.45 -0.442 0 N-CA-C 106.766 -1.568 . . . . 0.0 106.766 172.05 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 74' ' ' MET . . . . . . . . . . . . . 31.1 ttm -114.81 121.61 43.8 Favored 'General case' 0 N--CA 1.451 -0.397 0 N-CA-C 109.168 -0.678 . . . . 0.0 109.168 -177.287 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 75' ' ' ILE . . . . . . . . . . . . . 0.2 OUTLIER -129.43 136.74 58.64 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.313 0 CA-C-N 116.14 -0.482 . . . . 0.0 109.9 179.525 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . 54.61 18.27 1.98 Allowed 'General case' 0 CA--C 1.533 0.295 0 C-N-CA 123.124 0.57 . . . . 0.0 112.047 -173.564 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 88.1 4.86 77.58 Favored Glycine 0 CA--C 1.528 0.865 0 CA-C-O 119.553 -0.582 . . . . 0.0 112.158 -178.815 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 78' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -125.61 134.59 51.86 Favored 'General case' 0 N--CA 1.451 -0.377 0 CA-C-N 117.889 0.845 . . . . 0.0 110.824 179.918 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 79' ' ' VAL . . . . . . . . . . . . . 59.6 t -61.78 141.36 17.75 Favored 'Isoleucine or valine' 0 N--CA 1.461 0.124 0 C-N-CA 124.781 1.232 . . . . 0.0 110.969 -179.054 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 29.6 mt -97.12 158.0 15.65 Favored 'General case' 0 N--CA 1.456 -0.136 0 CA-C-O 120.793 0.33 . . . . 0.0 111.355 175.444 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 81' ' ' ASP . . . . . . . . . . . . . 34.6 t70 -124.31 101.71 7.31 Favored 'General case' 0 N--CA 1.454 -0.243 0 N-CA-C 108.03 -1.1 . . . . 0.0 108.03 175.858 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 82' ' ' ILE . . . . . . . . . . . . . 61.3 mt -118.75 139.65 45.31 Favored 'Isoleucine or valine' 0 C--O 1.232 0.168 0 C-N-CA 122.84 0.456 . . . . 0.0 110.656 -170.392 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 83' ' ' ASN . . . . . . . . . . . . . 1.2 p-10 -159.3 166.89 30.26 Favored 'General case' 0 N--CA 1.456 -0.15 0 C-N-CA 123.362 0.665 . . . . 0.0 109.897 178.049 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 84' ' ' LEU . . . . . . . . . . . . . 4.8 tp -59.01 145.95 40.02 Favored 'General case' 0 N--CA 1.451 -0.405 0 N-CA-C 109.557 -0.535 . . . . 0.0 109.557 176.348 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . -68.52 0.12 4.42 Favored 'General case' 0 N--CA 1.455 -0.212 0 N-CA-C 113.071 0.767 . . . . 0.0 113.071 -176.53 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . -136.67 5.29 2.88 Favored 'General case' 0 N--CA 1.454 -0.243 0 CA-C-N 118.158 0.436 . . . . 0.0 111.768 179.735 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 95.1 mt-10 -141.4 68.64 26.33 Favored Pre-proline 0 C--O 1.233 0.229 0 N-CA-C 109.481 -0.562 . . . . 0.0 109.481 178.841 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 88' ' ' PRO . . . . . . . . . . . . . 48.5 Cg_endo -62.84 143.79 92.33 Favored 'Trans proline' 0 N--CA 1.448 -1.175 0 C-N-CA 123.01 2.473 . . . . 0.0 108.686 176.713 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 1.3 ptpp? -49.59 -62.86 1.32 Allowed 'General case' 0 CA--C 1.529 0.158 0 N-CA-C 113.502 0.927 . . . . 0.0 113.502 -169.542 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 90' ' ' VAL . . . . . . . . . . . . . 76.1 t -146.8 -43.43 0.11 Allowed 'Isoleucine or valine' 0 CA--C 1.523 -0.096 0 CA-C-N 117.889 0.313 . . . . 0.0 110.952 -179.003 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 91' ' ' ASN . . . . . . . . . . . . . 8.8 p30 -143.96 2.79 1.2 Allowed 'General case' 0 N--CA 1.456 -0.172 0 N-CA-C 113.61 0.967 . . . . 0.0 113.61 -172.425 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 92' ' ' ARG . . . . . . . . . . . . . 38.0 ttp-105 60.45 -66.84 0.05 OUTLIER 'General case' 0 CA--C 1.528 0.13 0 C-N-CA 124.941 1.296 . . . . 0.0 112.07 -170.236 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . 88.38 169.46 45.02 Favored Glycine 0 CA--C 1.523 0.561 0 C-N-CA 123.439 0.542 . . . . 0.0 111.779 179.096 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 55.6 mtmt -132.82 -2.63 3.28 Favored 'General case' 0 CA--C 1.53 0.199 0 C-N-CA 123.308 0.643 . . . . 0.0 111.543 -178.07 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . -151.96 95.94 2.15 Favored 'General case' 0 N--CA 1.45 -0.436 0 N-CA-C 109.829 -0.434 . . . . 0.0 109.829 -179.146 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . -83.55 -6.55 87.3 Favored Glycine 0 CA--C 1.526 0.733 0 N-CA-C 112.104 -0.399 . . . . 0.0 112.104 -179.188 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 97' ' ' VAL . . . . . . . . . . . . . 48.6 t -121.75 133.92 66.65 Favored 'Isoleucine or valine' 0 N--CA 1.456 -0.13 0 CA-C-N 117.422 0.611 . . . . 0.0 109.653 179.137 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 98' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -140.18 18.77 2.43 Favored 'General case' 0 N--CA 1.455 -0.222 0 C-N-CA 123.805 0.842 . . . . 0.0 111.843 -179.701 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 99' ' ' ARG . . . . . . . . . . . . . 3.0 mpt_? -109.7 173.16 6.45 Favored 'General case' 0 CA--C 1.522 -0.131 0 C-N-CA 123.994 0.918 . . . . 0.0 110.316 179.904 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 45.5 m -68.49 -11.19 59.48 Favored 'General case' 0 N--CA 1.453 -0.278 0 C-N-CA 123.387 0.675 . . . . 0.0 112.135 179.108 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 101' ' ' ALA . . . . . . . . . . . . . . . 52.69 13.41 0.33 Allowed 'General case' 0 CA--C 1.534 0.362 0 C-N-CA 124.316 1.046 . . . . 0.0 112.798 -175.317 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -148.13 7.24 0.8 Allowed 'General case' 0 CA--C 1.532 0.274 0 C-N-CA 123.943 0.897 . . . . 0.0 111.445 -179.742 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 13.0 pt-20 -90.05 -1.39 57.95 Favored 'General case' 0 CA--C 1.531 0.227 0 C-N-CA 123.172 0.589 . . . . 0.0 111.905 -176.732 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 104' ' ' MET . . . . . . . . . . . . . 25.3 ptp -127.19 9.69 6.77 Favored 'General case' 0 N--CA 1.455 -0.197 0 C-N-CA 123.315 0.646 . . . . 0.0 112.621 -175.123 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 105' ' ' TYR . . . . . . . . . . . . . 51.2 m-85 -122.09 -5.89 8.94 Favored 'General case' 0 C--N 1.333 -0.121 0 C-N-CA 122.741 0.416 . . . . 0.0 111.739 179.226 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 106' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--N 1.337 0.639 0 N-CA-C 111.809 -0.517 . . . . 0.0 111.809 179.339 . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' B' B ' 1' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.419 -2.83 0 O4'-C1'-N19 111.388 3.188 . 0.0 '__' . 0.0 . . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' B' B ' 2' ' ' ' U' . . . . . 0.423 " H4'" " H5'" ' B' ' 3' ' ' ' U' . . . . . . . . 0 O4'--C4' 1.423 -2.5 1 O4'-C1'-N19 112.596 4.396 . 0.032 4b . 0.0 . . . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 3' ' ' ' U' . . . . . 0.423 " H5'" " H4'" ' B' ' 2' ' ' ' U' . . . . . . . . 0 O4'--C4' 1.418 -2.922 0 C5'-C4'-C3' 111.263 -2.825 . 0.146 0b . 0.0 . . . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 4' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.425 -2.34 1 O4'-C1'-N19 113.331 5.131 . 0.216 4b . 0.0 . . . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 5' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.422 -2.564 0 C5'-C4'-C3' 112.427 -2.049 . 0.055 6d . 0.0 . . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.475 0.823 0 CA-C-O 120.555 0.216 . . . . 0.0 110.638 . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 97.7 p -80.19 167.68 20.03 Favored 'General case' 0 N--CA 1.456 -0.158 0 C-N-CA 122.897 0.479 . . . . 0.0 110.996 178.153 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 4' ' ' ASN . . . . . . . . . . . . . 89.9 m-20 -84.58 -1.05 55.35 Favored 'General case' 0 CA--C 1.531 0.218 0 C-N-CA 122.473 0.309 . . . . 0.0 110.872 176.786 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 97.7 t -95.27 132.57 38.94 Favored 'Isoleucine or valine' 0 CA--C 1.521 -0.147 0 C-N-CA 122.861 0.464 . . . . 0.0 111.19 -174.752 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 74.6 p -147.86 12.32 0.99 Allowed 'General case' 0 C--O 1.226 -0.136 0 C-N-CA 123.554 0.742 . . . . 0.0 111.232 -178.259 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 7' ' ' ASN . . . . . . . . . . . . . 45.1 t30 -109.88 33.15 4.57 Favored 'General case' 0 CA--C 1.532 0.273 0 CA-C-N 118.718 0.69 . . . . 0.0 112.502 -174.654 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 56.6 mtmt -73.97 140.74 45.74 Favored 'General case' 0 N--CA 1.456 -0.132 0 N-CA-C 109.205 -0.665 . . . . 0.0 109.205 175.916 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 69.5 p -117.34 14.02 14.64 Favored 'General case' 0 C--N 1.331 -0.23 0 C-N-CA 123.216 0.606 . . . . 0.0 112.542 -172.76 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 10.6 m-20 -67.28 156.78 87.38 Favored Pre-proline 0 N--CA 1.456 -0.174 0 O-C-N 122.175 -0.328 . . . . 0.0 111.193 -179.741 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 11' ' ' PRO . . . . . . . . . . . . . 34.8 Cg_exo -60.52 -5.18 4.0 Favored 'Trans proline' 0 N--CA 1.456 -0.713 0 C-N-CA 124.466 3.444 . . . . 0.0 114.433 -173.364 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -133.46 -28.56 1.45 Allowed 'General case' 0 N--CA 1.457 -0.09 0 C-N-CA 122.852 0.461 . . . . 0.0 110.722 178.961 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 34.7 m -74.75 -19.04 60.39 Favored 'General case' 0 N--CA 1.454 -0.27 0 CA-C-O 119.512 -0.28 . . . . 0.0 111.548 -178.216 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 14' ' ' MET . . . . . . . . . . . . . 14.6 ptm -92.57 -3.17 55.48 Favored 'General case' 0 N--CA 1.454 -0.233 0 CA-C-N 118.48 0.582 . . . . 0.0 112.046 174.37 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 39.1 m-80 -102.26 -21.92 14.25 Favored 'General case' 0 N--CA 1.453 -0.29 0 C-N-CA 122.543 0.337 . . . . 0.0 110.177 176.143 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 77.5 p -84.26 6.22 23.67 Favored 'General case' 0 N--CA 1.455 -0.219 0 C-N-CA 123.043 0.537 . . . . 0.0 111.005 172.67 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 28.3 ttp-105 -101.42 153.56 19.57 Favored 'General case' 0 N--CA 1.456 -0.164 0 C-N-CA 123.52 0.728 . . . . 0.0 110.217 177.773 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 61.5 t -127.56 130.79 70.52 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.405 0 C-N-CA 123.189 0.596 . . . . 0.0 109.828 177.669 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 18.4 t80 -90.1 131.59 35.88 Favored 'General case' 0 N--CA 1.452 -0.349 0 C-N-CA 124.372 1.069 . . . . 0.0 109.145 175.559 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 57.1 mt -121.8 84.77 0.88 Allowed 'Isoleucine or valine' 0 CA--C 1.521 -0.143 0 N-CA-C 108.053 -1.092 . . . . 0.0 108.053 -179.965 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -86.65 175.36 47.18 Favored Glycine 0 CA--C 1.522 0.512 0 N-CA-C 111.308 -0.717 . . . . 0.0 111.308 178.365 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 6.6 t30 51.0 42.99 29.1 Favored 'General case' 0 CA--C 1.533 0.308 0 C-N-CA 123.095 0.558 . . . . 0.0 110.706 179.908 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 59.5 tp -97.56 146.72 24.99 Favored 'General case' 0 N--CA 1.455 -0.187 0 C-N-CA 123.731 0.812 . . . . 0.0 109.317 -179.459 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 63.7 t30 -68.86 -37.17 78.91 Favored 'General case' 0 CA--C 1.529 0.166 0 O-C-N 122.292 -0.255 . . . . 0.0 111.199 -177.972 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 63.0 p 51.17 9.13 0.05 Allowed 'General case' 0 N--CA 1.466 0.373 0 C-N-CA 126.335 1.854 . . . . 0.0 114.956 179.112 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 6.7 mp -102.44 -14.8 16.71 Favored 'General case' 0 CA--C 1.53 0.186 0 C-N-CA 123.707 0.803 . . . . 0.0 111.319 176.494 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 60.9 t -128.9 -21.66 1.54 Allowed 'Isoleucine or valine' 0 CA--C 1.528 0.115 0 C-N-CA 122.761 0.425 . . . . 0.0 110.479 178.977 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 90.5 t -101.89 136.76 32.39 Favored 'Isoleucine or valine' 0 C--N 1.34 0.17 0 N-CA-C 110.078 -0.341 . . . . 0.0 110.078 177.506 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 3.6 mppt? -130.32 172.04 12.28 Favored 'General case' 0 N--CA 1.456 -0.157 0 C-N-CA 124.255 1.022 . . . . 0.0 109.059 -179.363 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 6.0 ptmm? -64.89 -8.0 13.67 Favored 'General case' 0 CA--C 1.529 0.135 0 C-N-CA 123.529 0.732 . . . . 0.0 111.99 -179.804 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 31.9 m -96.06 -2.94 45.7 Favored 'General case' 0 CA--C 1.529 0.139 0 C-N-CA 123.213 0.605 . . . . 0.0 110.653 176.31 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 42.1 m-20 -110.64 -36.39 5.74 Favored 'General case' 0 N--CA 1.451 -0.411 0 C-N-CA 124.19 0.996 . . . . 0.0 109.682 178.552 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 92.9 t -62.19 -31.63 52.11 Favored 'Isoleucine or valine' 0 N--CA 1.456 -0.163 0 N-CA-C 109.757 -0.46 . . . . 0.0 109.757 178.083 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 23.5 pt-20 -79.33 4.97 13.65 Favored 'General case' 0 CA--C 1.531 0.238 0 N-CA-C 112.125 0.417 . . . . 0.0 112.125 178.744 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -124.87 -7.03 7.28 Favored 'General case' 0 N--CA 1.455 -0.19 0 C-N-CA 123.183 0.593 . . . . 0.0 111.054 177.22 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 76.5 mt -111.42 -27.91 2.71 Favored 'Isoleucine or valine' 0 N--CA 1.457 -0.091 0 C-N-CA 122.954 0.502 . . . . 0.0 110.989 179.338 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 37' ' ' PHE . . . . . . . . . . . . . 71.0 m-85 -104.87 -6.26 20.36 Favored 'General case' 0 N--CA 1.451 -0.409 0 C-N-CA 122.619 0.367 . . . . 0.0 111.202 179.215 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 23.8 t -77.24 -10.44 59.42 Favored 'General case' 0 CA--C 1.531 0.216 0 O-C-N 122.184 -0.322 . . . . 0.0 111.007 -179.869 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 13.5 ptmm? -84.09 -11.5 56.57 Favored 'General case' 0 CA--C 1.527 0.096 0 C-N-CA 122.979 0.512 . . . . 0.0 112.305 178.914 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 40' ' ' TYR . . . . . . . . . . . . . 64.0 m-85 -107.18 -15.56 14.63 Favored 'General case' 0 C--O 1.233 0.236 0 C-N-CA 122.409 0.284 . . . . 0.0 111.302 178.383 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -173.92 164.26 35.58 Favored Glycine 0 CA--C 1.523 0.534 0 N-CA-C 112.045 -0.422 . . . . 0.0 112.045 175.156 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 78.3 tttt -75.73 113.26 12.99 Favored 'General case' 0 N--CA 1.452 -0.332 0 N-CA-C 109.11 -0.7 . . . . 0.0 109.11 177.922 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 43' ' ' ILE . . . . . . . . . . . . . 73.7 mt -82.59 127.26 39.82 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.295 0 N-CA-C 109.722 -0.473 . . . . 0.0 109.722 -178.445 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 34.6 m -107.76 -12.04 10.58 Favored 'Isoleucine or valine' 0 C--O 1.23 0.045 0 C-N-CA 123.179 0.592 . . . . 0.0 110.523 179.546 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . -164.08 147.72 13.35 Favored Glycine 0 CA--C 1.523 0.561 0 N-CA-C 110.094 -1.203 . . . . 0.0 110.094 179.043 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 46' ' ' CYS . . . . . . . . . . . . . 31.9 p -153.6 149.05 27.2 Favored 'General case' 0 N--CA 1.452 -0.372 0 CA-C-N 116.959 0.379 . . . . 0.0 110.402 179.742 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 32.6 t -156.61 135.46 11.77 Favored 'General case' 0 N--CA 1.452 -0.374 0 N-CA-C 110.107 -0.331 . . . . 0.0 110.107 177.201 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 48' ' ' VAL . . . . . . . . . . . . . 80.1 t -110.78 148.01 14.47 Favored 'Isoleucine or valine' 0 N--CA 1.456 -0.174 0 N-CA-C 109.573 -0.529 . . . . 0.0 109.573 176.116 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 49' ' ' HIS . . . . . . . . . . . . . 54.9 m-70 -132.44 -164.83 1.51 Allowed 'General case' 0 N--CA 1.453 -0.279 0 N-CA-C 108.004 -1.11 . . . . 0.0 108.004 -178.103 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 75.4 mmtt -92.63 118.86 31.48 Favored 'General case' 0 N--CA 1.457 -0.123 0 N-CA-C 109.64 -0.504 . . . . 0.0 109.64 176.513 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 81.11 -8.85 56.6 Favored Glycine 0 CA--C 1.529 0.948 0 C-N-CA 123.681 0.658 . . . . 0.0 113.525 179.3 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 45.8 p90 -153.06 168.51 25.65 Favored 'General case' 0 C--N 1.339 0.136 0 CA-C-N 118.521 1.16 . . . . 0.0 111.556 178.252 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -147.69 171.84 15.01 Favored 'General case' 0 CA--C 1.53 0.21 0 C-N-CA 124.031 0.932 . . . . 0.0 110.032 176.748 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 54' ' ' PHE . . . . . . . . . . . . . 10.6 m-85 -139.57 145.25 38.38 Favored 'General case' 0 N--CA 1.453 -0.303 0 C-N-CA 123.89 0.876 . . . . 0.0 110.405 179.729 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 87.5 t -135.88 137.5 48.88 Favored 'Isoleucine or valine' 0 CA--C 1.517 -0.326 0 C-N-CA 123.592 0.757 . . . . 0.0 109.148 178.737 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 56' ' ' GLN . . . . . . . . . . . . . 63.0 tp60 -117.09 128.7 55.4 Favored 'General case' 0 N--CA 1.451 -0.394 0 N-CA-C 109.443 -0.576 . . . . 0.0 109.443 -176.907 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 57' ' ' TYR . . . . . . . . . . . . . 41.9 m-85 -110.85 177.2 4.74 Favored 'General case' 0 N--CA 1.455 -0.209 0 C-N-CA 123.533 0.733 . . . . 0.0 110.671 179.721 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 58' ' ' VAL . . . . . . . . . . . . . 53.3 t -73.33 -31.72 34.87 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.275 0 CA-C-N 116.367 -0.379 . . . . 0.0 110.561 178.188 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 59' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -153.64 168.58 25.74 Favored 'General case' 0 N--CA 1.453 -0.318 0 CA-C-O 121.395 0.616 . . . . 0.0 112.647 179.105 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 74.2 tt0 -59.83 -28.84 67.82 Favored 'General case' 0 CA--C 1.529 0.151 0 C-N-CA 124.354 1.061 . . . . 0.0 112.377 -177.415 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 26.3 tpt180 -63.03 -39.76 95.71 Favored 'General case' 0 C--N 1.339 0.11 0 CA-C-N 118.538 0.608 . . . . 0.0 110.159 179.217 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 62' ' ' ASN . . . . . . . . . . . . . 19.8 m120 -69.69 -27.13 64.75 Favored 'General case' 0 N--CA 1.451 -0.409 0 C-N-CA 120.648 -0.421 . . . . 0.0 110.762 -179.56 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -71.44 -40.58 70.29 Favored 'General case' 0 N--CA 1.453 -0.321 0 N-CA-C 110.164 -0.309 . . . . 0.0 110.164 178.628 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 64' ' ' ARG . . . . . . . . . . . . . 93.4 mtt-85 -72.75 -21.25 61.05 Favored 'General case' 0 CA--C 1.523 -0.087 0 C-N-CA 121.193 -0.203 . . . . 0.0 111.357 -178.118 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -78.88 -32.46 45.86 Favored 'General case' 0 N--CA 1.452 -0.331 0 N-CA-C 110.242 -0.281 . . . . 0.0 110.242 177.924 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -83.33 -33.73 25.83 Favored 'General case' 0 N--CA 1.454 -0.265 0 O-C-N 122.356 -0.215 . . . . 0.0 110.95 178.52 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 67' ' ' VAL . . . . . . . . . . . . . 49.0 t -65.39 -30.9 51.64 Favored 'Isoleucine or valine' 0 C--O 1.227 -0.104 0 N-CA-C 110.216 -0.29 . . . . 0.0 110.216 175.127 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -95.3 -10.73 29.37 Favored 'General case' 0 CA--C 1.53 0.202 0 N-CA-C 112.049 0.389 . . . . 0.0 112.049 177.934 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . -101.08 -13.56 33.4 Favored Glycine 0 CA--C 1.53 0.994 0 CA-C-O 119.208 -0.773 . . . . 0.0 113.814 -177.012 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 46.2 mm-40 -134.05 -19.07 2.02 Favored 'General case' 0 N--CA 1.463 0.185 0 CA-C-N 118.455 1.127 . . . . 0.0 112.545 -173.948 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 21.3 t70 -61.44 117.57 5.86 Favored 'General case' 0 C--O 1.233 0.193 0 O-C-N 121.193 -0.942 . . . . 0.0 110.336 178.628 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . 88.38 9.01 70.27 Favored Glycine 0 C--N 1.337 0.585 0 N-CA-C 111.11 -0.796 . . . . 0.0 111.11 179.283 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 73' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -75.36 169.75 17.44 Favored 'General case' 0 N--CA 1.45 -0.425 0 N-CA-C 106.457 -1.683 . . . . 0.0 106.457 172.229 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 74' ' ' MET . . . . . . . . . . . . . 31.4 ttm -114.94 121.97 44.83 Favored 'General case' 0 N--CA 1.448 -0.528 0 N-CA-C 109.388 -0.597 . . . . 0.0 109.388 -177.718 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 75' ' ' ILE . . . . . . . . . . . . . 0.2 OUTLIER -129.48 136.79 58.49 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.299 0 CA-C-N 115.982 -0.554 . . . . 0.0 109.934 179.956 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . 54.5 18.41 1.96 Allowed 'General case' 0 CA--C 1.53 0.192 0 C-N-CA 123.037 0.535 . . . . 0.0 112.081 -173.496 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 88.4 4.54 76.9 Favored Glycine 0 CA--C 1.525 0.658 0 CA-C-O 119.583 -0.565 . . . . 0.0 112.202 -178.858 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 78' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -125.46 135.07 51.94 Favored 'General case' 0 N--CA 1.451 -0.417 0 CA-C-N 117.923 0.862 . . . . 0.0 110.751 -179.712 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 79' ' ' VAL . . . . . . . . . . . . . 70.2 t -63.09 140.99 18.72 Favored 'Isoleucine or valine' 0 C--O 1.227 -0.117 0 C-N-CA 124.832 1.253 . . . . 0.0 111.099 -179.054 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 28.6 mt -96.54 157.33 15.95 Favored 'General case' 0 CA--C 1.527 0.094 0 CA-C-O 120.798 0.332 . . . . 0.0 111.437 175.762 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 81' ' ' ASP . . . . . . . . . . . . . 30.0 t70 -125.74 101.42 6.86 Favored 'General case' 0 N--CA 1.451 -0.388 0 N-CA-C 107.491 -1.3 . . . . 0.0 107.491 175.226 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 82' ' ' ILE . . . . . . . . . . . . . 63.3 mt -114.41 140.07 37.12 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.236 0 C-N-CA 123.238 0.615 . . . . 0.0 109.733 -169.906 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 83' ' ' ASN . . . . . . . . . . . . . 2.1 t30 -151.51 154.21 36.07 Favored 'General case' 0 N--CA 1.453 -0.278 0 C-N-CA 122.105 0.162 . . . . 0.0 111.037 -173.784 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 84' ' ' LEU . . . . . . . . . . . . . 1.4 tm? -60.32 129.85 43.7 Favored 'General case' 0 CA--C 1.531 0.241 0 N-CA-C 108.417 -0.957 . . . . 0.0 108.417 172.872 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . -66.87 0.71 2.28 Favored 'General case' 0 CA--C 1.533 0.294 0 N-CA-C 114.328 1.233 . . . . 0.0 114.328 -171.845 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . -130.52 4.05 4.64 Favored 'General case' 0 CA--C 1.529 0.149 0 CA-C-N 118.749 0.704 . . . . 0.0 112.135 -177.585 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 57.3 mt-10 -140.35 63.6 22.86 Favored Pre-proline 0 CA--C 1.529 0.161 0 N-CA-C 109.952 -0.388 . . . . 0.0 109.952 179.399 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 88' ' ' PRO . . . . . . . . . . . . . 31.2 Cg_endo -57.44 146.61 82.53 Favored 'Trans proline' 0 N--CA 1.455 -0.788 0 C-N-CA 123.415 2.744 . . . . 0.0 109.98 -178.977 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 12.7 ptpt -61.0 -78.49 0.03 OUTLIER 'General case' 0 CA--C 1.529 0.16 0 C-N-CA 123.255 0.622 . . . . 0.0 112.389 -171.977 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 90' ' ' VAL . . . . . . . . . . . . . 46.2 t -145.8 -44.05 0.12 Allowed 'Isoleucine or valine' 0 C--N 1.339 0.122 0 N-CA-C 112.583 0.586 . . . . 0.0 112.583 -179.542 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 91' ' ' ASN . . . . . 0.438 ' C ' ' H ' ' A' ' 93' ' ' GLY . 44.8 m-80 -130.21 1.36 4.67 Favored 'General case' 0 C--N 1.339 0.139 0 N-CA-C 113.046 0.758 . . . . 0.0 113.046 -173.697 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 92' ' ' ARG . . . . . . . . . . . . . 29.8 ttm180 62.25 -32.85 0.1 Allowed 'General case' 0 CA--C 1.534 0.34 0 C-N-CA 125.365 1.466 . . . . 0.0 113.111 -171.049 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 93' ' ' GLY . . . . . 0.438 ' H ' ' C ' ' A' ' 91' ' ' ASN . . . 76.52 175.13 40.04 Favored Glycine 0 CA--C 1.526 0.743 0 N-CA-C 111.411 -0.676 . . . . 0.0 111.411 -178.679 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 27.9 ttpp -144.81 -31.41 0.43 Allowed 'General case' 0 N--CA 1.454 -0.227 0 C-N-CA 122.651 0.381 . . . . 0.0 111.577 179.084 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . -158.3 159.82 36.35 Favored 'General case' 0 N--CA 1.451 -0.386 0 C-N-CA 122.76 0.424 . . . . 0.0 110.431 179.781 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . -79.16 -7.7 88.3 Favored Glycine 0 CA--C 1.527 0.842 0 N-CA-C 111.415 -0.674 . . . . 0.0 111.415 175.598 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 97' ' ' VAL . . . . . 0.422 HG12 ' H ' ' A' ' 99' ' ' ARG . 60.5 t -86.85 139.5 17.24 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.295 0 N-CA-C 109.504 -0.554 . . . . 0.0 109.504 179.445 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 98' ' ' LYS . . . . . . . . . . . . . 35.3 mmtp -122.19 21.32 10.46 Favored 'General case' 0 CA--C 1.529 0.153 0 C-N-CA 123.627 0.771 . . . . 0.0 111.806 -175.626 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 99' ' ' ARG . . . . . 0.422 ' H ' HG12 ' A' ' 97' ' ' VAL . 32.7 ptt180 -129.01 173.89 10.03 Favored 'General case' 0 N--CA 1.458 -0.068 0 C-N-CA 124.022 0.929 . . . . 0.0 111.44 -179.286 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 75.2 m -61.72 -16.23 47.45 Favored 'General case' 0 N--CA 1.454 -0.247 0 C-N-CA 123.784 0.834 . . . . 0.0 111.576 176.864 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 101' ' ' ALA . . . . . . . . . . . . . . . 54.17 14.37 0.73 Allowed 'General case' 0 CA--C 1.537 0.475 0 C-N-CA 124.904 1.281 . . . . 0.0 112.354 -176.632 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -142.29 12.05 1.96 Allowed 'General case' 0 N--CA 1.453 -0.307 0 C-N-CA 123.92 0.888 . . . . 0.0 110.357 -179.864 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 20.4 pt-20 -67.89 -8.09 33.69 Favored 'General case' 0 CA--C 1.529 0.157 0 C-N-CA 123.1 0.56 . . . . 0.0 112.025 -177.25 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 104' ' ' MET . . . . . . . . . . . . . 70.6 mtm -103.18 0.84 32.32 Favored 'General case' 0 N--CA 1.453 -0.289 0 C-N-CA 123.564 0.746 . . . . 0.0 111.417 -178.643 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 105' ' ' TYR . . . . . . . . . . . . . 37.2 m-85 -133.24 1.67 3.51 Favored 'General case' 0 C--O 1.233 0.185 0 C-N-CA 122.726 0.41 . . . . 0.0 111.942 -176.677 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 106' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.526 0.735 0 N-CA-C 111.343 -0.703 . . . . 0.0 111.343 179.931 . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' B' B ' 1' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.422 -2.57 0 O4'-C1'-N19 111.585 3.385 . 0.0 '__' . 0.0 . . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' B' B ' 2' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.421 -2.692 1 O4'-C1'-N19 112.479 4.279 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 3' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.418 -2.937 0 O4'-C1'-N19 110.975 2.775 . 0.408 0b . 0.0 . . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' B' B ' 4' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.423 -2.52 1 O4'-C1'-N19 112.421 4.221 . 0.181 4b . 0.0 . . . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 5' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.423 -2.465 1 O4'-C1'-N19 113.476 5.276 . 0.719 2u . 0.0 . . . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.474 0.763 0 CA-C-O 119.572 -0.251 . . . . 0.0 111.058 . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 55.9 m -145.36 -1.09 0.83 Allowed 'General case' 0 CA--C 1.533 0.317 0 N-CA-C 112.441 0.534 . . . . 0.0 112.441 -179.28 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 4' ' ' ASN . . . . . . . . . . . . . 52.3 t30 55.57 27.75 10.86 Favored 'General case' 0 CA--C 1.532 0.283 0 C-N-CA 124.094 0.958 . . . . 0.0 112.648 -178.827 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 87.5 t -136.57 135.35 49.05 Favored 'Isoleucine or valine' 0 C--N 1.338 0.091 0 N-CA-C 109.656 -0.498 . . . . 0.0 109.656 179.352 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 74.0 p -147.6 5.45 0.8 Allowed 'General case' 0 C--N 1.339 0.11 0 N-CA-C 112.274 0.472 . . . . 0.0 112.274 -177.847 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 7' ' ' ASN . . . . . . . . . . . . . 60.2 t-20 -107.0 97.84 7.57 Favored 'General case' 0 N--CA 1.454 -0.228 0 CA-C-N 119.012 0.824 . . . . 0.0 111.512 -176.185 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 57.8 mtmt -142.47 147.97 36.94 Favored 'General case' 0 N--CA 1.457 -0.123 0 C-N-CA 124.725 1.21 . . . . 0.0 108.514 175.25 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 77.6 p -119.58 15.51 12.83 Favored 'General case' 0 C--N 1.334 -0.082 0 N-CA-C 112.309 0.485 . . . . 0.0 112.309 -173.309 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 13.4 m-20 -64.94 151.81 92.38 Favored Pre-proline 0 CA--C 1.533 0.293 0 N-CA-C 109.978 -0.378 . . . . 0.0 109.978 178.373 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 11' ' ' PRO . . . . . . . . . . . . . 73.1 Cg_endo -67.1 1.98 2.51 Favored 'Trans proline' 0 N--CA 1.455 -0.768 0 C-N-CA 124.248 3.298 . . . . 0.0 113.087 -174.396 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -131.88 -30.65 1.58 Allowed 'General case' 0 CA--C 1.526 0.056 0 C-N-CA 122.655 0.382 . . . . 0.0 110.583 177.11 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 19.6 m -78.63 -20.38 50.49 Favored 'General case' 0 N--CA 1.455 -0.22 0 CA-C-O 119.275 -0.393 . . . . 0.0 111.889 -177.887 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 14' ' ' MET . . . . . . . . . . . . . 12.6 ptm -92.46 -4.53 53.52 Favored 'General case' 0 N--CA 1.455 -0.178 0 CA-C-N 118.915 0.78 . . . . 0.0 111.564 175.239 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 69.9 m-80 -100.15 -21.39 15.56 Favored 'General case' 0 N--CA 1.454 -0.265 0 C-N-CA 122.786 0.434 . . . . 0.0 110.193 175.251 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 78.3 p -85.62 6.11 28.85 Favored 'General case' 0 N--CA 1.454 -0.251 0 C-N-CA 122.873 0.469 . . . . 0.0 111.305 171.841 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 29.9 ttp-105 -102.67 152.99 20.56 Favored 'General case' 0 N--CA 1.456 -0.131 0 C-N-CA 123.335 0.654 . . . . 0.0 109.915 177.797 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 65.5 t -126.95 131.24 71.15 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.387 0 C-N-CA 123.017 0.527 . . . . 0.0 109.809 178.354 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 30.2 t80 -90.59 134.14 34.6 Favored 'General case' 0 N--CA 1.45 -0.432 0 CA-C-N 115.495 -0.775 . . . . 0.0 109.27 174.862 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 65.1 mt -121.05 85.92 0.97 Allowed 'Isoleucine or valine' 0 N--CA 1.456 -0.166 0 N-CA-C 107.923 -1.139 . . . . 0.0 107.923 -179.767 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -84.46 173.27 49.58 Favored Glycine 0 CA--C 1.523 0.592 0 N-CA-C 111.194 -0.763 . . . . 0.0 111.194 178.387 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 57.3 t30 48.23 48.23 18.86 Favored 'General case' 0 N--CA 1.455 -0.214 0 C-N-CA 123.489 0.716 . . . . 0.0 110.728 -178.437 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 52.2 tp -97.19 144.31 27.14 Favored 'General case' 0 N--CA 1.456 -0.16 0 C-N-CA 123.006 0.522 . . . . 0.0 109.635 179.175 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 63.4 t30 -68.12 -39.11 82.83 Favored 'General case' 0 C--N 1.34 0.16 0 C-N-CA 120.966 -0.294 . . . . 0.0 111.266 -178.473 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 35.5 p 54.63 3.24 0.05 OUTLIER 'General case' 0 N--CA 1.465 0.302 0 C-N-CA 126.28 1.832 . . . . 0.0 115.103 178.655 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 8.1 mp -95.74 -15.63 22.48 Favored 'General case' 0 N--CA 1.454 -0.225 0 C-N-CA 123.311 0.644 . . . . 0.0 111.503 176.284 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 60.1 t -128.15 -22.82 1.56 Allowed 'Isoleucine or valine' 0 N--CA 1.461 0.118 0 C-N-CA 122.815 0.446 . . . . 0.0 110.77 178.94 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 71.0 t -102.54 136.13 36.38 Favored 'Isoleucine or valine' 0 CA--C 1.522 -0.115 0 N-CA-C 109.97 -0.382 . . . . 0.0 109.97 178.396 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 3.6 mppt? -129.82 172.49 11.61 Favored 'General case' 0 N--CA 1.456 -0.148 0 C-N-CA 124.085 0.954 . . . . 0.0 109.413 -179.189 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 11.0 ptmt -66.25 -4.8 8.5 Favored 'General case' 0 C--N 1.333 -0.148 0 C-N-CA 123.696 0.798 . . . . 0.0 112.197 179.664 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 34.2 m -97.89 -0.97 44.01 Favored 'General case' 0 CA--C 1.53 0.2 0 C-N-CA 123.596 0.758 . . . . 0.0 110.732 174.451 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 38.5 m-20 -115.17 -34.63 4.95 Favored 'General case' 0 N--CA 1.453 -0.277 0 C-N-CA 124.015 0.926 . . . . 0.0 110.421 -179.573 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 94.0 t -65.33 -30.48 50.36 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.227 0 N-CA-C 108.917 -0.771 . . . . 0.0 108.917 179.844 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 25.7 pt-20 -80.21 7.06 10.15 Favored 'General case' 0 CA--C 1.531 0.226 0 C-N-CA 122.638 0.375 . . . . 0.0 111.927 178.623 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -125.48 -8.13 6.9 Favored 'General case' 0 CA--C 1.531 0.22 0 C-N-CA 123.222 0.609 . . . . 0.0 110.886 176.664 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 70.5 mt -109.57 -27.83 2.82 Favored 'Isoleucine or valine' 0 C--N 1.34 0.18 0 C-N-CA 123.141 0.577 . . . . 0.0 110.832 178.43 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 37' ' ' PHE . . . . . . . . . . . . . 64.2 m-85 -103.79 -5.48 22.4 Favored 'General case' 0 N--CA 1.455 -0.195 0 C-N-CA 122.587 0.355 . . . . 0.0 111.063 179.747 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 70.0 p -75.47 -14.83 60.45 Favored 'General case' 0 N--CA 1.457 -0.105 0 C-N-CA 122.51 0.324 . . . . 0.0 111.638 -179.985 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 18.6 ptmt -82.35 -11.28 58.68 Favored 'General case' 0 N--CA 1.457 -0.109 0 C-N-CA 123.198 0.599 . . . . 0.0 112.313 179.252 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 40' ' ' TYR . . . . . . . . . . . . . 74.5 m-85 -106.46 -14.55 15.04 Favored 'General case' 0 C--N 1.34 0.172 0 C-N-CA 122.524 0.33 . . . . 0.0 111.292 178.172 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -176.08 162.77 31.88 Favored Glycine 0 CA--C 1.523 0.584 0 N-CA-C 112.43 -0.268 . . . . 0.0 112.43 174.702 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 78.1 tttt -74.76 114.15 12.86 Favored 'General case' 0 N--CA 1.451 -0.381 0 N-CA-C 109.013 -0.736 . . . . 0.0 109.013 177.998 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 43' ' ' ILE . . . . . . . . . . . . . 77.8 mt -82.89 129.59 37.17 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.211 0 N-CA-C 109.848 -0.427 . . . . 0.0 109.848 -177.861 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 33.8 m -114.8 3.9 7.79 Favored 'Isoleucine or valine' 0 C--O 1.231 0.084 0 C-N-CA 123.902 0.881 . . . . 0.0 110.702 179.5 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . -178.72 145.42 6.78 Favored Glycine 0 C--N 1.336 0.536 0 N-CA-C 109.818 -1.313 . . . . 0.0 109.818 177.048 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 46' ' ' CYS . . . . . . . . . . . . . 53.9 t -156.28 146.17 21.16 Favored 'General case' 0 N--CA 1.452 -0.356 0 N-CA-C 109.503 -0.555 . . . . 0.0 109.503 178.23 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 24.4 t -154.37 142.66 20.48 Favored 'General case' 0 N--CA 1.451 -0.424 0 N-CA-C 109.836 -0.431 . . . . 0.0 109.836 175.446 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 48' ' ' VAL . . . . . . . . . . . . . 97.3 t -114.7 146.71 18.82 Favored 'Isoleucine or valine' 0 N--CA 1.456 -0.13 0 N-CA-C 109.176 -0.676 . . . . 0.0 109.176 178.109 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 49' ' ' HIS . . . . . . . . . . . . . 47.4 m-70 -132.59 -169.07 2.17 Favored 'General case' 0 N--CA 1.451 -0.422 0 C-N-CA 124.383 1.073 . . . . 0.0 108.26 -177.23 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 60.4 tttm -87.31 116.84 25.68 Favored 'General case' 0 N--CA 1.452 -0.343 0 C-N-CA 120.72 -0.392 . . . . 0.0 109.976 178.808 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 81.58 -9.93 53.15 Favored Glycine 0 CA--C 1.532 1.143 0 CA-C-O 118.907 -0.94 . . . . 0.0 113.537 179.174 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 52.5 p90 -151.01 168.41 24.67 Favored 'General case' 0 CA--C 1.529 0.166 0 CA-C-N 118.906 1.353 . . . . 0.0 111.404 179.077 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -147.77 172.07 14.68 Favored 'General case' 0 N--CA 1.454 -0.227 0 C-N-CA 123.739 0.816 . . . . 0.0 110.341 176.317 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 54' ' ' PHE . . . . . . . . . . . . . 16.5 m-85 -139.31 146.42 40.3 Favored 'General case' 0 N--CA 1.456 -0.172 0 C-N-CA 123.299 0.639 . . . . 0.0 110.948 179.23 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 93.2 t -136.21 136.23 49.38 Favored 'Isoleucine or valine' 0 CA--C 1.516 -0.346 0 C-N-CA 123.608 0.763 . . . . 0.0 109.126 178.179 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 56' ' ' GLN . . . . . . . . . . . . . 63.9 tp60 -115.66 129.47 56.5 Favored 'General case' 0 N--CA 1.45 -0.456 0 N-CA-C 109.168 -0.678 . . . . 0.0 109.168 -177.339 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 57' ' ' TYR . . . . . . . . . . . . . 38.0 m-85 -111.49 176.03 5.19 Favored 'General case' 0 N--CA 1.455 -0.206 0 C-N-CA 123.334 0.654 . . . . 0.0 110.894 179.642 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 58' ' ' VAL . . . . . . . . . . . . . 72.1 t -71.82 -31.53 41.52 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.193 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.448 178.787 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 59' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -155.56 169.3 24.6 Favored 'General case' 0 C--N 1.339 0.142 0 N-CA-C 112.405 0.52 . . . . 0.0 112.405 178.911 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 75.9 tt0 -59.58 -31.08 69.12 Favored 'General case' 0 N--CA 1.457 -0.117 0 C-N-CA 123.393 0.677 . . . . 0.0 112.103 -177.795 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 19.3 tpp180 -59.32 -39.14 82.15 Favored 'General case' 0 C--O 1.231 0.082 0 CA-C-N 118.92 0.782 . . . . 0.0 110.11 -179.553 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 62' ' ' ASN . . . . . . . . . . . . . 18.6 m120 -70.74 -25.49 62.94 Favored 'General case' 0 N--CA 1.452 -0.349 0 O-C-N 122.254 -0.279 . . . . 0.0 111.04 -179.968 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -74.54 -37.17 63.09 Favored 'General case' 0 N--CA 1.452 -0.372 0 N-CA-C 110.285 -0.265 . . . . 0.0 110.285 178.27 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 64' ' ' ARG . . . . . . . . . . . . . 37.2 mmt180 -69.28 -26.49 64.77 Favored 'General case' 0 C--O 1.227 -0.082 0 N-CA-C 110.515 -0.18 . . . . 0.0 110.515 178.899 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -78.7 -33.0 47.17 Favored 'General case' 0 N--CA 1.454 -0.239 0 C-N-CA 121.481 -0.088 . . . . 0.0 111.119 -179.275 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -83.31 -34.29 25.73 Favored 'General case' 0 N--CA 1.452 -0.353 0 O-C-N 122.221 -0.299 . . . . 0.0 111.536 179.418 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 67' ' ' VAL . . . . . . . . . . . . . 54.4 t -65.75 -31.47 53.91 Favored 'Isoleucine or valine' 0 C--O 1.227 -0.1 0 N-CA-C 109.794 -0.447 . . . . 0.0 109.794 175.483 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -94.1 -10.26 33.91 Favored 'General case' 0 CA--C 1.529 0.169 0 N-CA-C 112.414 0.524 . . . . 0.0 112.414 177.635 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . -102.63 -12.87 31.59 Favored Glycine 0 CA--C 1.533 1.204 0 CA-C-O 119.292 -0.727 . . . . 0.0 113.969 -177.401 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 25.5 mm-40 -134.16 -19.52 1.96 Allowed 'General case' 0 CA--C 1.53 0.199 0 CA-C-N 118.514 1.157 . . . . 0.0 112.32 -174.561 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 20.5 t70 -61.41 117.23 5.41 Favored 'General case' 0 N--CA 1.455 -0.214 0 CA-C-N 119.209 0.913 . . . . 0.0 110.039 178.23 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . 88.02 10.18 69.54 Favored Glycine 0 C--N 1.338 0.683 0 N-CA-C 111.012 -0.835 . . . . 0.0 111.012 178.826 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 73' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -76.78 168.44 20.08 Favored 'General case' 0 N--CA 1.449 -0.51 0 N-CA-C 106.359 -1.719 . . . . 0.0 106.359 171.848 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 74' ' ' MET . . . . . . . . . . . . . 33.7 ttm -113.48 121.91 45.7 Favored 'General case' 0 N--CA 1.448 -0.556 0 N-CA-C 109.477 -0.564 . . . . 0.0 109.477 -176.784 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 75' ' ' ILE . . . . . . . . . . . . . 0.3 OUTLIER -129.03 135.88 61.01 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.39 0 CA-C-N 116.111 -0.495 . . . . 0.0 109.85 179.918 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . 54.57 17.53 1.68 Allowed 'General case' 0 CA--C 1.536 0.425 0 N-CA-C 112.158 0.429 . . . . 0.0 112.158 -174.136 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 88.86 5.01 74.61 Favored Glycine 0 CA--C 1.528 0.872 0 CA-C-O 119.684 -0.509 . . . . 0.0 112.193 -179.122 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 78' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -124.49 132.03 53.49 Favored 'General case' 0 N--CA 1.45 -0.448 0 CA-C-N 117.864 0.832 . . . . 0.0 110.206 -179.192 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 79' ' ' VAL . . . . . . . . . . . . . 47.4 t -64.0 141.3 18.35 Favored 'Isoleucine or valine' 0 C--O 1.228 -0.068 0 C-N-CA 124.199 1.0 . . . . 0.0 110.41 -178.726 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 32.4 mt -95.65 156.18 16.43 Favored 'General case' 0 C--O 1.233 0.202 0 CA-C-O 120.648 0.261 . . . . 0.0 111.593 176.867 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 81' ' ' ASP . . . . . . . . . . . . . 4.3 m-20 -124.37 96.97 5.11 Favored 'General case' 0 N--CA 1.455 -0.217 0 N-CA-C 107.608 -1.256 . . . . 0.0 107.608 176.833 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 82' ' ' ILE . . . . . . . . . . . . . 63.9 mt -112.07 141.79 26.46 Favored 'Isoleucine or valine' 0 C--O 1.231 0.12 0 C-N-CA 123.467 0.707 . . . . 0.0 110.106 -170.268 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 83' ' ' ASN . . . . . . . . . . . . . 54.3 t30 -154.46 158.11 39.43 Favored 'General case' 0 N--CA 1.455 -0.212 0 CA-C-N 116.562 -0.29 . . . . 0.0 111.167 -175.334 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 84' ' ' LEU . . . . . . . . . . . . . 1.2 tm? -60.67 128.43 36.54 Favored 'General case' 0 N--CA 1.449 -0.49 0 N-CA-C 107.972 -1.121 . . . . 0.0 107.972 172.871 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . -64.42 1.17 0.83 Allowed 'General case' 0 CA--C 1.532 0.277 0 N-CA-C 114.302 1.223 . . . . 0.0 114.302 -172.063 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . -129.42 10.16 5.67 Favored 'General case' 0 N--CA 1.455 -0.205 0 CA-C-N 118.736 0.698 . . . . 0.0 111.99 -177.737 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 97.2 mt-10 -138.42 57.1 11.36 Favored Pre-proline 0 CA--C 1.531 0.22 0 CA-C-O 119.169 -0.444 . . . . 0.0 111.801 -177.748 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 88' ' ' PRO . . . . . . . . . . . . . 52.0 Cg_endo -61.9 134.28 49.13 Favored 'Trans proline' 0 N--CA 1.45 -1.049 0 C-N-CA 122.022 1.815 . . . . 0.0 107.778 176.311 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 89' ' ' LYS . . . . . 0.522 ' HG3' ' H ' ' A' ' 90' ' ' VAL . 6.2 ptpp? -139.07 -68.38 0.44 Allowed 'General case' 0 CA--C 1.53 0.2 0 N-CA-C 113.914 1.079 . . . . 0.0 113.914 -169.254 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 90' ' ' VAL . . . . . 0.522 ' H ' ' HG3' ' A' ' 89' ' ' LYS . 59.5 t -141.37 -30.02 0.21 Allowed 'Isoleucine or valine' 0 C--N 1.335 -0.056 0 C-N-CA 123.095 0.558 . . . . 0.0 111.499 -172.861 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 91' ' ' ASN . . . . . . . . . . . . . 33.8 m-80 -88.09 20.87 2.96 Favored 'General case' 0 N--CA 1.455 -0.188 0 C-N-CA 122.815 0.446 . . . . 0.0 111.84 -176.268 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 92' ' ' ARG . . . . . . . . . . . . . 68.1 ttp85 -115.26 128.71 56.31 Favored 'General case' 0 N--CA 1.448 -0.531 0 N-CA-C 108.775 -0.824 . . . . 0.0 108.775 175.709 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . -166.15 -152.11 7.08 Favored Glycine 0 CA--C 1.519 0.343 0 N-CA-C 107.267 -2.333 . . . . 0.0 107.267 178.731 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 68.1 mttm -135.3 -22.98 1.5 Allowed 'General case' 0 C--N 1.334 -0.098 0 CA-C-N 118.437 1.119 . . . . 0.0 111.72 175.034 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . -165.84 177.87 6.89 Favored 'General case' 0 N--CA 1.452 -0.362 0 C-N-CA 122.843 0.457 . . . . 0.0 109.97 178.583 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . -68.69 -10.88 61.72 Favored Glycine 0 CA--C 1.528 0.879 0 N-CA-C 111.508 -0.637 . . . . 0.0 111.508 175.933 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 97' ' ' VAL . . . . . . . . . . . . . 8.6 p -105.04 128.53 58.77 Favored 'Isoleucine or valine' 0 N--CA 1.456 -0.174 0 N-CA-C 108.722 -0.844 . . . . 0.0 108.722 174.296 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 98' ' ' LYS . . . . . . . . . . . . . 4.2 mptp? -102.53 22.9 12.75 Favored 'General case' 0 CA--C 1.53 0.197 0 C-N-CA 123.393 0.677 . . . . 0.0 111.423 -173.265 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 99' ' ' ARG . . . . . . . . . . . . . 63.2 mtt85 -120.75 170.35 9.53 Favored 'General case' 0 CA--C 1.52 -0.189 0 C-N-CA 123.946 0.898 . . . . 0.0 110.818 178.419 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 7.8 t -71.03 -11.78 61.16 Favored 'General case' 0 N--CA 1.453 -0.307 0 CA-C-N 115.968 -0.56 . . . . 0.0 111.497 -176.793 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 101' ' ' ALA . . . . . . . . . . . . . . . 55.02 9.31 0.3 Allowed 'General case' 0 CA--C 1.533 0.326 0 C-N-CA 124.458 1.103 . . . . 0.0 113.153 -175.064 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -148.32 8.19 0.81 Allowed 'General case' 0 CA--C 1.532 0.262 0 C-N-CA 123.469 0.708 . . . . 0.0 111.274 178.668 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 12.0 pt-20 -72.81 -5.53 38.67 Favored 'General case' 0 CA--C 1.528 0.134 0 C-N-CA 123.386 0.674 . . . . 0.0 112.369 -177.237 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 104' ' ' MET . . . . . . . . . . . . . 71.3 mtm -101.86 6.31 41.43 Favored 'General case' 0 N--CA 1.454 -0.254 0 C-N-CA 123.485 0.714 . . . . 0.0 111.118 178.84 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 105' ' ' TYR . . . . . . . . . . . . . 50.0 m-85 -133.87 4.8 3.58 Favored 'General case' 0 CA--C 1.532 0.265 0 C-N-CA 123.019 0.527 . . . . 0.0 111.381 -178.019 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 106' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.528 0.844 0 N-CA-C 111.01 -0.836 . . . . 0.0 111.01 179.833 . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' B' B ' 1' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.419 -2.846 2 O4'-C1'-N19 112.424 4.224 . 0.0 '__' . 0.0 . . . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 2' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.419 -2.844 1 O4'-C1'-N19 112.265 4.065 . 0.01 4b . 0.0 . . . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 3' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.421 -2.667 0 O4'-C1'-N19 111.173 2.973 . 0.201 0b . 0.0 . . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' B' B ' 4' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.422 -2.571 1 O4'-C1'-N19 112.414 4.214 . 0.176 4b . 0.0 . . . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 5' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.418 -2.919 1 O4'-C1'-N19 113.111 4.911 . 0.22 2u . 0.0 . . . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.473 0.71 0 CA-C-O 120.436 0.16 . . . . 0.0 110.793 . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 46.7 m -68.88 159.86 31.75 Favored 'General case' 0 CA--C 1.528 0.103 0 C-N-CA 122.945 0.498 . . . . 0.0 111.312 -179.487 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 4' ' ' ASN . . . . . . . . . . . . . 55.7 t30 -84.28 -0.74 53.54 Favored 'General case' 0 CA--C 1.533 0.318 0 C-N-CA 123.252 0.621 . . . . 0.0 110.987 -179.131 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 86.8 t -92.36 132.83 35.62 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.194 0 C-N-CA 122.855 0.462 . . . . 0.0 111.393 -175.322 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 56.7 p -146.53 5.54 0.93 Allowed 'General case' 0 C--O 1.227 -0.127 0 C-N-CA 123.62 0.768 . . . . 0.0 111.584 179.169 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 7' ' ' ASN . . . . . . . . . . . . . 64.8 t-20 -110.31 100.47 9.33 Favored 'General case' 0 N--CA 1.455 -0.182 0 CA-C-N 119.214 0.916 . . . . 0.0 110.927 -178.228 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 54.9 mtmt -143.59 147.14 33.94 Favored 'General case' 0 C--O 1.232 0.162 0 C-N-CA 124.306 1.043 . . . . 0.0 109.014 175.472 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 60.5 p -116.66 15.98 15.44 Favored 'General case' 0 C--O 1.234 0.24 0 C-N-CA 122.779 0.432 . . . . 0.0 111.879 -175.055 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 11.8 m-20 -62.8 150.98 85.99 Favored Pre-proline 0 CA--C 1.531 0.245 0 N-CA-C 110.143 -0.317 . . . . 0.0 110.143 177.47 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 11' ' ' PRO . . . . . . . . . . . . . 67.4 Cg_endo -67.05 1.69 2.69 Favored 'Trans proline' 0 N--CA 1.456 -0.69 0 C-N-CA 124.316 3.344 . . . . 0.0 113.353 -173.446 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 2.7 tmm_? -130.91 -36.13 1.37 Allowed 'General case' 0 C--O 1.226 -0.163 0 O-C-N 121.978 -0.451 . . . . 0.0 110.485 178.17 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 24.3 m -71.57 -27.57 63.24 Favored 'General case' 0 C--O 1.228 -0.059 0 O-C-N 121.97 -0.456 . . . . 0.0 111.397 -179.052 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 14' ' ' MET . . . . . . . . . . . . . 17.3 ttm -76.59 -21.66 55.28 Favored 'General case' 0 N--CA 1.455 -0.224 0 CA-C-N 118.055 0.389 . . . . 0.0 110.617 176.985 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 26.3 m-80 -92.92 -14.74 27.17 Favored 'General case' 0 CA--C 1.531 0.22 0 O-C-N 122.365 -0.209 . . . . 0.0 110.604 178.096 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 14.6 m -93.43 8.13 41.79 Favored 'General case' 0 N--CA 1.455 -0.183 0 C-N-CA 123.63 0.772 . . . . 0.0 111.654 175.435 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 27.7 ttp-105 -105.18 152.61 22.62 Favored 'General case' 0 C--N 1.338 0.093 0 C-N-CA 123.607 0.763 . . . . 0.0 110.375 -179.445 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 60.0 t -128.89 132.51 67.4 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.344 0 C-N-CA 123.214 0.606 . . . . 0.0 109.99 177.532 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 19' ' ' PHE . . . . . 0.411 ' CD2' ' C5 ' ' B' ' 2' ' ' ' U' . 64.7 t80 -92.76 138.38 31.54 Favored 'General case' 0 N--CA 1.45 -0.458 0 C-N-CA 123.73 0.812 . . . . 0.0 109.61 174.114 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 57.8 mt -123.77 83.4 0.82 Allowed 'Isoleucine or valine' 0 N--CA 1.454 -0.228 0 N-CA-C 107.824 -1.176 . . . . 0.0 107.824 179.023 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -85.61 176.59 49.68 Favored Glycine 0 CA--C 1.524 0.615 0 N-CA-C 110.074 -1.211 . . . . 0.0 110.074 177.481 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 22' ' ' ASN . . . . . 0.531 ' HA ' ' C2 ' ' B' ' 1' ' ' ' U' . 54.0 t30 48.81 46.45 21.8 Favored 'General case' 0 N--CA 1.45 -0.472 0 C-N-CA 123.282 0.633 . . . . 0.0 110.341 -176.678 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 57.2 tp -100.33 145.58 27.98 Favored 'General case' 0 N--CA 1.456 -0.155 0 C-N-CA 123.468 0.707 . . . . 0.0 109.554 -179.977 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 65.0 t30 -71.45 -38.65 71.29 Favored 'General case' 0 CA--C 1.53 0.196 0 O-C-N 122.326 -0.234 . . . . 0.0 111.199 -177.294 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 46.9 p 53.99 -1.74 0.02 OUTLIER 'General case' 0 N--CA 1.467 0.402 0 C-N-CA 127.195 2.198 . . . . 0.0 115.339 178.725 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 87.2 mt -87.27 -20.86 26.25 Favored 'General case' 0 N--CA 1.451 -0.394 0 C-N-CA 123.368 0.667 . . . . 0.0 111.743 175.064 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 60.6 t -121.66 -25.57 2.33 Favored 'Isoleucine or valine' 0 CA--C 1.528 0.117 0 CA-C-O 119.475 -0.297 . . . . 0.0 111.44 -179.158 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 49.6 t -101.64 145.6 11.33 Favored 'Isoleucine or valine' 0 N--CA 1.457 -0.077 0 CA-C-N 118.363 0.528 . . . . 0.0 110.246 178.979 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 8.2 mptt -134.88 173.14 12.03 Favored 'General case' 0 N--CA 1.46 0.031 0 C-N-CA 123.302 0.641 . . . . 0.0 110.154 -178.4 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 10.8 ptmt -68.1 -5.27 16.85 Favored 'General case' 0 CA--C 1.528 0.122 0 C-N-CA 123.443 0.697 . . . . 0.0 112.079 178.857 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 37.2 m -97.83 0.63 47.1 Favored 'General case' 0 C--N 1.332 -0.169 0 C-N-CA 123.734 0.814 . . . . 0.0 110.549 174.036 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 19.8 m-20 -117.93 -33.66 4.4 Favored 'General case' 0 N--CA 1.453 -0.323 0 C-N-CA 123.754 0.821 . . . . 0.0 110.486 179.983 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 85.9 t -64.69 -31.21 52.77 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.192 0 N-CA-C 108.938 -0.764 . . . . 0.0 108.938 178.695 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 25.9 pt-20 -79.65 7.83 7.68 Favored 'General case' 0 CA--C 1.532 0.266 0 N-CA-C 111.913 0.338 . . . . 0.0 111.913 178.381 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -126.09 -8.21 6.54 Favored 'General case' 0 N--CA 1.451 -0.382 0 C-N-CA 123.252 0.621 . . . . 0.0 110.715 176.736 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 77.9 mt -109.98 -27.68 2.83 Favored 'Isoleucine or valine' 0 CA--C 1.529 0.14 0 C-N-CA 123.311 0.644 . . . . 0.0 110.622 179.052 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 37' ' ' PHE . . . . . . . . . . . . . 60.8 m-85 -103.87 -5.79 22.0 Favored 'General case' 0 N--CA 1.454 -0.243 0 C-N-CA 122.808 0.443 . . . . 0.0 111.132 179.501 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 69.9 p -75.98 -13.73 60.24 Favored 'General case' 0 C--O 1.232 0.173 0 C-N-CA 122.457 0.303 . . . . 0.0 111.51 -179.976 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 13.1 ptmm? -83.64 -9.91 58.57 Favored 'General case' 0 CA--C 1.53 0.177 0 C-N-CA 123.124 0.569 . . . . 0.0 112.182 179.35 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 40' ' ' TYR . . . . . . . . . . . . . 84.0 m-85 -106.25 -14.89 14.99 Favored 'General case' 0 C--N 1.338 0.094 0 C-N-CA 122.718 0.407 . . . . 0.0 111.177 177.207 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -176.82 162.73 31.27 Favored Glycine 0 CA--C 1.524 0.595 0 N-CA-C 111.852 -0.499 . . . . 0.0 111.852 174.451 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 78.4 tttt -74.07 113.84 11.71 Favored 'General case' 0 N--CA 1.454 -0.231 0 N-CA-C 108.875 -0.787 . . . . 0.0 108.875 177.859 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 43' ' ' ILE . . . . . . . . . . . . . 73.1 mt -82.98 130.16 36.2 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.236 0 N-CA-C 109.87 -0.419 . . . . 0.0 109.87 -178.378 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 33.5 m -109.07 -5.28 10.86 Favored 'Isoleucine or valine' 0 N--CA 1.457 -0.082 0 C-N-CA 123.443 0.697 . . . . 0.0 110.907 179.302 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . -173.9 146.51 8.79 Favored Glycine 0 C--N 1.336 0.538 0 N-CA-C 109.884 -1.287 . . . . 0.0 109.884 177.097 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 46' ' ' CYS . . . . . . . . . . . . . 53.9 t -152.98 145.26 23.96 Favored 'General case' 0 N--CA 1.452 -0.369 0 C-N-CA 122.638 0.375 . . . . 0.0 110.086 179.404 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 27.1 t -151.41 142.6 23.24 Favored 'General case' 0 N--CA 1.45 -0.45 0 N-CA-C 109.867 -0.42 . . . . 0.0 109.867 176.676 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 48' ' ' VAL . . . . . . . . . . . . . 99.3 t -118.93 146.25 23.82 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.34 0 N-CA-C 108.881 -0.785 . . . . 0.0 108.881 177.92 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 49' ' ' HIS . . . . . . . . . . . . . 45.7 m-70 -132.13 -167.55 1.9 Allowed 'General case' 0 N--CA 1.452 -0.342 0 N-CA-C 107.901 -1.148 . . . . 0.0 107.901 -176.789 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 30.8 mmmt -85.47 117.63 24.5 Favored 'General case' 0 N--CA 1.455 -0.197 0 C-N-CA 120.326 -0.55 . . . . 0.0 109.674 177.257 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 79.51 -11.19 33.23 Favored Glycine 0 CA--C 1.532 1.13 0 C-N-CA 123.769 0.7 . . . . 0.0 113.898 177.769 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 49.8 p90 -146.66 165.56 29.21 Favored 'General case' 0 CA--C 1.529 0.158 0 CA-C-N 118.802 1.301 . . . . 0.0 111.584 178.83 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -147.71 171.04 16.27 Favored 'General case' 0 CA--C 1.53 0.184 0 C-N-CA 123.416 0.686 . . . . 0.0 110.8 177.374 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 54' ' ' PHE . . . . . . . . . . . . . 13.8 m-85 -139.14 147.93 42.55 Favored 'General case' 0 N--CA 1.454 -0.256 0 C-N-CA 123.987 0.915 . . . . 0.0 110.848 -179.647 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 97.7 t -137.99 138.09 44.05 Favored 'Isoleucine or valine' 0 CA--C 1.52 -0.188 0 C-N-CA 123.748 0.819 . . . . 0.0 109.11 177.819 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 56' ' ' GLN . . . . . . . . . . . . . 69.4 tp60 -117.88 132.3 56.44 Favored 'General case' 0 N--CA 1.452 -0.352 0 N-CA-C 109.096 -0.705 . . . . 0.0 109.096 -178.792 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 57' ' ' TYR . . . . . . . . . . . . . 42.8 m-85 -113.54 173.94 6.17 Favored 'General case' 0 N--CA 1.454 -0.242 0 C-N-CA 123.318 0.647 . . . . 0.0 111.129 -179.405 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 58' ' ' VAL . . . . . . . . . . . . . 74.2 t -70.28 -30.86 44.99 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.24 0 C-N-CA 123.02 0.528 . . . . 0.0 110.489 178.337 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 59' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -156.27 166.3 33.84 Favored 'General case' 0 N--CA 1.455 -0.189 0 CA-C-N 118.088 0.403 . . . . 0.0 112.019 177.024 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 83.5 tt0 -55.47 -32.09 62.52 Favored 'General case' 0 CA--C 1.529 0.171 0 C-N-CA 123.711 0.805 . . . . 0.0 112.575 -179.713 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 20.3 tpp85 -59.54 -38.19 80.4 Favored 'General case' 0 C--O 1.231 0.085 0 CA-C-N 119.008 0.822 . . . . 0.0 110.305 -179.108 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 62' ' ' ASN . . . . . . . . . . . . . 18.8 m120 -72.05 -25.0 61.62 Favored 'General case' 0 N--CA 1.451 -0.399 0 O-C-N 122.13 -0.356 . . . . 0.0 111.012 179.767 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -75.15 -37.26 61.39 Favored 'General case' 0 N--CA 1.453 -0.287 0 N-CA-C 110.069 -0.345 . . . . 0.0 110.069 178.136 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 64' ' ' ARG . . . . . . . . . . . . . 40.4 mmt180 -69.26 -26.33 64.71 Favored 'General case' 0 N--CA 1.457 -0.093 0 N-CA-C 110.157 -0.312 . . . . 0.0 110.157 178.758 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -78.15 -32.84 50.5 Favored 'General case' 0 N--CA 1.454 -0.248 0 CA-C-O 119.992 -0.051 . . . . 0.0 110.904 -179.431 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -83.03 -35.27 25.91 Favored 'General case' 0 N--CA 1.451 -0.418 0 O-C-N 122.197 -0.315 . . . . 0.0 111.489 179.114 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 67' ' ' VAL . . . . . . . . . . . . . 51.7 t -64.72 -30.49 50.43 Favored 'Isoleucine or valine' 0 C--O 1.227 -0.102 0 O-C-N 122.013 -0.429 . . . . 0.0 109.979 175.375 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -96.07 -9.49 30.74 Favored 'General case' 0 CA--C 1.531 0.213 0 N-CA-C 112.4 0.519 . . . . 0.0 112.4 178.027 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . -103.0 -13.74 28.44 Favored Glycine 0 CA--C 1.532 1.098 0 CA-C-O 119.308 -0.718 . . . . 0.0 113.744 -177.538 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 26.4 mm-40 -133.12 -18.85 2.27 Favored 'General case' 0 N--CA 1.465 0.286 0 CA-C-N 118.368 1.084 . . . . 0.0 112.318 -174.441 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 23.7 t70 -62.14 118.25 7.11 Favored 'General case' 0 N--CA 1.453 -0.275 0 CA-C-N 118.964 0.802 . . . . 0.0 109.653 178.485 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . 87.53 10.08 71.1 Favored Glycine 0 C--N 1.338 0.67 0 N-CA-C 111.101 -0.8 . . . . 0.0 111.101 179.235 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 73' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -76.93 168.34 20.26 Favored 'General case' 0 N--CA 1.45 -0.473 0 N-CA-C 106.328 -1.73 . . . . 0.0 106.328 171.628 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 74' ' ' MET . . . . . . . . . . . . . 35.9 ttm -114.18 121.87 45.08 Favored 'General case' 0 N--CA 1.45 -0.448 0 N-CA-C 109.263 -0.643 . . . . 0.0 109.263 -175.95 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 75' ' ' ILE . . . . . . . . . . . . . 0.2 OUTLIER -129.87 136.14 59.61 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.388 0 N-CA-C 109.539 -0.541 . . . . 0.0 109.539 179.624 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . 54.3 17.9 1.67 Allowed 'General case' 0 CA--C 1.533 0.319 0 C-N-CA 123.449 0.699 . . . . 0.0 111.91 -174.134 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 89.18 4.0 75.05 Favored Glycine 0 CA--C 1.526 0.765 0 C-N-CA 123.216 0.436 . . . . 0.0 112.066 -179.562 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 78' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -123.26 130.86 53.32 Favored 'General case' 0 N--CA 1.451 -0.392 0 CA-C-N 117.699 0.75 . . . . 0.0 109.905 -179.087 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 79' ' ' VAL . . . . . . . . . . . . . 48.1 t -63.6 139.87 20.59 Favored 'Isoleucine or valine' 0 CA--C 1.522 -0.102 0 C-N-CA 124.15 0.98 . . . . 0.0 110.278 -179.336 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 31.2 mt -94.22 155.72 16.9 Favored 'General case' 0 C--O 1.231 0.095 0 CA-C-O 120.846 0.355 . . . . 0.0 111.356 177.567 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 81' ' ' ASP . . . . . . . . . . . . . 27.9 m-20 -124.38 101.51 7.2 Favored 'General case' 0 N--CA 1.453 -0.314 0 N-CA-C 107.632 -1.247 . . . . 0.0 107.632 174.881 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 82' ' ' ILE . . . . . . . . . . . . . 61.4 mt -114.16 138.48 43.95 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.344 0 CA-C-N 115.537 -0.756 . . . . 0.0 109.454 -170.195 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 83' ' ' ASN . . . . . . . . . . . . . 8.1 t30 -155.53 158.61 38.75 Favored 'General case' 0 N--CA 1.454 -0.238 0 N-CA-C 109.427 -0.583 . . . . 0.0 109.427 -174.754 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 84' ' ' LEU . . . . . . . . . . . . . 7.1 tp -60.6 142.58 55.35 Favored 'General case' 0 N--CA 1.451 -0.408 0 N-CA-C 109.4 -0.592 . . . . 0.0 109.4 174.688 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . -66.69 -0.75 3.11 Favored 'General case' 0 CA--C 1.533 0.314 0 N-CA-C 113.732 1.012 . . . . 0.0 113.732 -175.861 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . -132.74 15.38 4.36 Favored 'General case' 0 CA--C 1.53 0.189 0 CA-C-N 118.476 0.58 . . . . 0.0 112.308 -176.976 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 87' ' ' GLU . . . . . 0.4 ' N ' ' CD ' ' A' ' 88' ' ' PRO . 95.6 mt-10 -135.73 43.8 0.96 Allowed Pre-proline 0 CA--C 1.533 0.302 0 CA-C-O 119.086 -0.483 . . . . 0.0 111.925 179.511 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 88' ' ' PRO . . . . . 0.4 ' CD ' ' N ' ' A' ' 87' ' ' GLU . 42.2 Cg_endo -60.59 149.12 88.71 Favored 'Trans proline' 0 N--CA 1.45 -1.05 0 C-N-CA 122.682 2.255 . . . . 0.0 109.737 -177.482 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 89' ' ' LYS . . . . . 0.454 ' HG3' ' H ' ' A' ' 90' ' ' VAL . 3.9 ptpp? -138.4 -87.72 0.24 Allowed 'General case' 0 N--CA 1.456 -0.155 0 N-CA-C 112.907 0.706 . . . . 0.0 112.907 -171.689 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 90' ' ' VAL . . . . . 0.454 ' H ' ' HG3' ' A' ' 89' ' ' LYS . 55.9 t -137.04 -29.04 0.4 Allowed 'Isoleucine or valine' 0 C--O 1.231 0.081 0 N-CA-C 112.423 0.527 . . . . 0.0 112.423 -172.73 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 91' ' ' ASN . . . . . . . . . . . . . 24.6 m-80 -83.57 6.59 20.03 Favored 'General case' 0 CA--C 1.532 0.254 0 N-CA-C 112.845 0.683 . . . . 0.0 112.845 -172.691 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 92' ' ' ARG . . . . . 0.432 ' C ' ' H ' ' A' ' 94' ' ' LYS . 3.3 ppt_? -114.26 25.29 11.21 Favored 'General case' 0 CA--C 1.53 0.208 0 C-N-CA 122.958 0.503 . . . . 0.0 110.519 175.721 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . -69.47 24.59 0.36 Allowed Glycine 0 C--N 1.339 0.695 0 C-N-CA 124.877 1.227 . . . . 0.0 113.699 -176.113 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 94' ' ' LYS . . . . . 0.432 ' H ' ' C ' ' A' ' 92' ' ' ARG . 91.0 mttt 60.49 -7.53 0.08 Allowed 'General case' 0 N--CA 1.457 -0.104 0 C-N-CA 125.984 1.713 . . . . 0.0 115.316 178.98 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . -158.39 158.29 33.95 Favored 'General case' 0 N--CA 1.447 -0.59 0 CA-C-N 118.625 0.648 . . . . 0.0 111.385 179.374 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . -125.9 -3.06 7.1 Favored Glycine 0 CA--C 1.525 0.716 0 N-CA-C 111.095 -0.802 . . . . 0.0 111.095 177.268 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 97' ' ' VAL . . . . . . . . . . . . . 39.2 t -90.03 141.84 13.78 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.252 0 CA-C-N 117.544 0.672 . . . . 0.0 109.416 179.522 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 98' ' ' LYS . . . . . 0.538 ' HA ' ' HE2' ' A' ' 98' ' ' LYS . 10.7 mmpt? -83.49 17.96 2.01 Favored 'General case' 0 CA--C 1.53 0.21 0 C-N-CA 123.519 0.727 . . . . 0.0 112.481 -177.84 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 99' ' ' ARG . . . . . . . . . . . . . 10.9 tpt180 -147.38 171.08 16.03 Favored 'General case' 0 N--CA 1.456 -0.149 0 C-N-CA 123.486 0.714 . . . . 0.0 109.471 -177.954 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 73.8 m -63.01 -16.41 59.71 Favored 'General case' 0 CA--C 1.527 0.094 0 C-N-CA 123.17 0.588 . . . . 0.0 112.07 179.112 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 101' ' ' ALA . . . . . . . . . . . . . . . 51.8 16.67 0.52 Allowed 'General case' 0 CA--C 1.535 0.394 0 C-N-CA 123.91 0.884 . . . . 0.0 112.694 -176.493 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -148.68 8.33 0.77 Allowed 'General case' 0 N--CA 1.455 -0.198 0 C-N-CA 123.13 0.572 . . . . 0.0 111.609 -177.889 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 16.7 pt-20 -74.6 -2.91 28.11 Favored 'General case' 0 CA--C 1.531 0.24 0 N-CA-C 112.643 0.608 . . . . 0.0 112.643 -176.098 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 104' ' ' MET . . . . . . . . . . . . . 25.3 ptp -126.79 8.88 6.91 Favored 'General case' 0 CA--C 1.532 0.272 0 C-N-CA 123.145 0.578 . . . . 0.0 112.431 -176.894 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 105' ' ' TYR . . . . . . . . . . . . . 38.7 m-85 -124.26 -9.34 7.56 Favored 'General case' 0 CA--C 1.527 0.093 0 C-N-CA 122.64 0.376 . . . . 0.0 111.466 179.494 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 106' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.526 0.761 0 N-CA-C 111.468 -0.653 . . . . 0.0 111.468 179.337 . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' B' B ' 1' ' ' ' U' . . . . . 0.531 ' C2 ' ' HA ' ' A' ' 22' ' ' ASN . . . . . . . . 0 O4'--C4' 1.416 -3.107 3 O4'-C1'-N19 114.49 6.29 OUTLIER-DELTA 0.0 '__' . 0.0 . . . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' B' B ' 2' ' ' ' U' . . . . . 0.473 " H4'" " H5'" ' B' ' 3' ' ' ' U' . . . . . . . . 0 O4'--C4' 1.417 -2.997 1 C5'-C4'-C3' 109.456 -4.029 . 0.15 4b . 0.0 . . . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 3' ' ' ' U' . . . . . 0.473 " H5'" " H4'" ' B' ' 2' ' ' ' U' . . . . . . . . 0 O4'--C4' 1.42 -2.713 0 C5'-C4'-C3' 110.765 -3.157 . 0.327 0b . 0.0 . . . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 4' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.423 -2.539 1 O4'-C1'-N19 112.842 4.642 . 0.164 4b . 0.0 . . . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 5' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.419 -2.864 0 O4'-C1'-N19 111.975 3.775 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.474 0.733 0 CA-C-O 120.381 0.134 . . . . 0.0 110.871 . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 37.5 t -67.77 157.69 34.15 Favored 'General case' 0 C--O 1.226 -0.163 0 C-N-CA 122.93 0.492 . . . . 0.0 110.589 178.475 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 4' ' ' ASN . . . . . . . . . . . . . 3.8 p-10 -84.9 0.54 50.73 Favored 'General case' 0 CA--C 1.531 0.239 0 C-N-CA 123.107 0.563 . . . . 0.0 111.419 179.167 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 99.6 t -97.55 135.91 30.25 Favored 'Isoleucine or valine' 0 C--O 1.232 0.149 0 C-N-CA 122.731 0.412 . . . . 0.0 111.25 -176.38 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 76.5 p -147.2 5.09 0.83 Allowed 'General case' 0 CA--C 1.53 0.21 0 C-N-CA 123.671 0.788 . . . . 0.0 111.47 179.191 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 7' ' ' ASN . . . . . . . . . . . . . 61.5 t-20 -107.05 98.88 8.48 Favored 'General case' 0 N--CA 1.454 -0.26 0 O-C-N 121.324 -0.86 . . . . 0.0 111.025 -177.391 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 57.9 mtmt -142.42 148.27 37.53 Favored 'General case' 0 C--O 1.231 0.102 0 C-N-CA 124.631 1.172 . . . . 0.0 108.402 175.641 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 75.0 p -120.77 14.7 11.73 Favored 'General case' 0 N--CA 1.462 0.168 0 N-CA-C 112.687 0.625 . . . . 0.0 112.687 -173.521 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 13.6 m-20 -64.7 151.77 91.58 Favored Pre-proline 0 CA--C 1.532 0.256 0 N-CA-C 109.586 -0.524 . . . . 0.0 109.586 177.809 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 11' ' ' PRO . . . . . . . . . . . . . 74.5 Cg_endo -67.46 1.88 2.77 Favored 'Trans proline' 0 N--CA 1.455 -0.739 0 C-N-CA 124.109 3.206 . . . . 0.0 113.115 -173.999 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -132.11 -27.85 1.78 Allowed 'General case' 0 CA--C 1.523 -0.071 0 CA-C-N 118.331 0.514 . . . . 0.0 110.818 177.259 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 21.0 m -80.15 -21.19 43.36 Favored 'General case' 0 N--CA 1.456 -0.14 0 N-CA-C 111.843 0.312 . . . . 0.0 111.843 -178.763 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 14' ' ' MET . . . . . . . . . . . . . 13.0 ptm -93.71 -4.52 50.35 Favored 'General case' 0 N--CA 1.456 -0.125 0 C-N-CA 120.151 -0.619 . . . . 0.0 111.841 175.854 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 70.3 m-80 -100.7 -16.44 17.38 Favored 'General case' 0 N--CA 1.456 -0.166 0 C-N-CA 122.529 0.332 . . . . 0.0 110.46 175.542 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 77.8 p -89.75 6.12 42.96 Favored 'General case' 0 CA--C 1.53 0.196 0 C-N-CA 123.165 0.586 . . . . 0.0 111.344 171.358 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 30.9 ttp-105 -103.22 153.29 20.52 Favored 'General case' 0 N--CA 1.456 -0.135 0 C-N-CA 123.695 0.798 . . . . 0.0 109.971 177.945 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 83.3 t -129.3 131.27 67.67 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.442 0 C-N-CA 123.075 0.55 . . . . 0.0 110.017 178.509 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 53.7 t80 -89.37 138.36 31.51 Favored 'General case' 0 N--CA 1.45 -0.46 0 C-N-CA 123.523 0.729 . . . . 0.0 109.503 174.205 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 64.4 mt -124.16 85.86 0.99 Allowed 'Isoleucine or valine' 0 N--CA 1.454 -0.228 0 N-CA-C 107.745 -1.206 . . . . 0.0 107.745 179.534 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -85.69 173.26 47.25 Favored Glycine 0 CA--C 1.523 0.543 0 N-CA-C 110.278 -1.129 . . . . 0.0 110.278 177.672 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 22' ' ' ASN . . . . . 0.496 ' HA ' ' C2 ' ' B' ' 1' ' ' ' U' . 47.9 t30 50.01 49.06 21.02 Favored 'General case' 0 N--CA 1.453 -0.321 0 C-N-CA 123.048 0.539 . . . . 0.0 110.369 -178.415 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 57.6 tp -101.57 144.95 29.68 Favored 'General case' 0 N--CA 1.453 -0.315 0 N-CA-C 109.279 -0.637 . . . . 0.0 109.279 178.733 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 63.5 t30 -70.15 -36.75 74.96 Favored 'General case' 0 N--CA 1.455 -0.187 0 O-C-N 122.191 -0.318 . . . . 0.0 111.463 -177.532 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 47.4 p 51.21 9.47 0.06 Allowed 'General case' 0 N--CA 1.464 0.261 0 C-N-CA 126.205 1.802 . . . . 0.0 115.229 179.003 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 3.4 mm? -104.16 -14.18 15.95 Favored 'General case' 0 N--CA 1.456 -0.162 0 C-N-CA 123.555 0.742 . . . . 0.0 110.963 176.18 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 60.0 t -127.78 -20.31 2.0 Favored 'Isoleucine or valine' 0 CA--C 1.53 0.187 0 C-N-CA 123.148 0.579 . . . . 0.0 110.421 178.799 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 57.3 t -106.86 143.54 17.41 Favored 'Isoleucine or valine' 0 C--N 1.34 0.182 0 N-CA-C 109.896 -0.409 . . . . 0.0 109.896 177.686 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -136.23 173.32 11.84 Favored 'General case' 0 N--CA 1.456 -0.155 0 C-N-CA 123.904 0.882 . . . . 0.0 109.78 -178.561 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 12.4 ptmt -65.11 -7.85 14.08 Favored 'General case' 0 CA--C 1.53 0.195 0 C-N-CA 123.723 0.809 . . . . 0.0 112.068 179.04 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 38.9 m -97.66 -0.67 45.18 Favored 'General case' 0 CA--C 1.529 0.157 0 C-N-CA 123.291 0.636 . . . . 0.0 110.972 175.927 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 25.5 m-20 -115.44 -34.9 4.77 Favored 'General case' 0 N--CA 1.452 -0.358 0 C-N-CA 124.222 1.009 . . . . 0.0 110.205 179.265 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 81.9 t -62.69 -32.06 54.28 Favored 'Isoleucine or valine' 0 N--CA 1.456 -0.155 0 N-CA-C 109.589 -0.522 . . . . 0.0 109.589 177.648 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 25.3 pt-20 -80.53 7.56 9.67 Favored 'General case' 0 CA--C 1.532 0.259 0 O-C-N 122.247 -0.283 . . . . 0.0 111.656 178.679 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -126.05 -7.03 6.59 Favored 'General case' 0 N--CA 1.455 -0.193 0 C-N-CA 123.176 0.59 . . . . 0.0 111.195 177.398 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 70.2 mt -110.91 -28.83 2.52 Favored 'Isoleucine or valine' 0 C--N 1.339 0.133 0 C-N-CA 122.929 0.491 . . . . 0.0 110.777 178.486 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 37' ' ' PHE . . . . . . . . . . . . . 67.4 m-85 -101.3 -8.72 21.85 Favored 'General case' 0 N--CA 1.453 -0.283 0 C-N-CA 122.738 0.415 . . . . 0.0 110.943 179.934 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 69.1 p -72.59 -14.22 61.57 Favored 'General case' 0 CA--C 1.527 0.062 0 C-N-CA 122.607 0.363 . . . . 0.0 111.674 -178.965 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 18.3 ptmt -83.74 -10.8 57.87 Favored 'General case' 0 CA--C 1.53 0.207 0 C-N-CA 123.041 0.536 . . . . 0.0 112.186 179.123 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 40' ' ' TYR . . . . . . . . . . . . . 76.6 m-85 -106.05 -15.24 14.94 Favored 'General case' 0 N--CA 1.461 0.102 0 C-N-CA 122.263 0.225 . . . . 0.0 111.195 177.781 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -175.78 161.29 29.96 Favored Glycine 0 C--N 1.336 0.579 0 N-CA-C 111.971 -0.452 . . . . 0.0 111.971 174.586 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 78.2 tttt -73.01 114.21 10.91 Favored 'General case' 0 N--CA 1.452 -0.339 0 N-CA-C 108.651 -0.87 . . . . 0.0 108.651 177.584 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 43' ' ' ILE . . . . . . . . . . . . . 78.4 mt -83.39 128.65 38.57 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.339 0 N-CA-C 109.88 -0.415 . . . . 0.0 109.88 -178.461 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 34.2 m -109.06 -9.11 11.29 Favored 'Isoleucine or valine' 0 C--N 1.335 -0.06 0 C-N-CA 123.244 0.618 . . . . 0.0 110.879 179.138 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . -167.95 148.71 13.11 Favored Glycine 0 C--N 1.338 0.639 0 N-CA-C 109.844 -1.302 . . . . 0.0 109.844 178.098 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 46' ' ' CYS . . . . . . . . . . . . . 20.8 p -151.45 152.75 33.46 Favored 'General case' 0 N--CA 1.45 -0.43 0 N-CA-C 109.859 -0.422 . . . . 0.0 109.859 179.165 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 31.9 t -158.46 135.36 9.75 Favored 'General case' 0 N--CA 1.452 -0.356 0 N-CA-C 109.778 -0.452 . . . . 0.0 109.778 176.188 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 48' ' ' VAL . . . . . . . . . . . . . 99.7 t -111.7 149.56 14.33 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.24 0 N-CA-C 109.218 -0.66 . . . . 0.0 109.218 176.418 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 49' ' ' HIS . . . . . . . . . . . . . 51.0 m-70 -135.17 -168.36 2.17 Favored 'General case' 0 N--CA 1.45 -0.452 0 N-CA-C 107.87 -1.159 . . . . 0.0 107.87 -178.72 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 75.4 mmtt -85.67 118.66 25.31 Favored 'General case' 0 N--CA 1.456 -0.153 0 N-CA-C 109.555 -0.535 . . . . 0.0 109.555 176.448 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 78.73 -13.37 18.23 Favored Glycine 0 CA--C 1.53 1.013 0 C-N-CA 123.584 0.612 . . . . 0.0 114.121 178.843 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 50.1 p90 -144.76 165.45 28.05 Favored 'General case' 0 CA--C 1.529 0.14 0 CA-C-N 118.881 1.34 . . . . 0.0 111.784 179.04 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -147.52 171.97 14.71 Favored 'General case' 0 CA--C 1.533 0.291 0 C-N-CA 123.577 0.751 . . . . 0.0 110.77 177.101 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 54' ' ' PHE . . . . . . . . . . . . . 13.7 m-85 -140.45 145.85 37.51 Favored 'General case' 0 N--CA 1.453 -0.305 0 C-N-CA 124.204 1.001 . . . . 0.0 110.739 -179.313 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 97.2 t -137.05 137.2 47.01 Favored 'Isoleucine or valine' 0 CA--C 1.518 -0.263 0 C-N-CA 123.744 0.818 . . . . 0.0 109.223 178.48 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 56' ' ' GLN . . . . . . . . . . . . . 62.0 tp60 -116.93 130.64 56.83 Favored 'General case' 0 N--CA 1.45 -0.463 0 N-CA-C 109.387 -0.598 . . . . 0.0 109.387 -177.185 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 57' ' ' TYR . . . . . . . . . . . . . 43.4 m-85 -111.7 176.62 4.95 Favored 'General case' 0 N--CA 1.454 -0.25 0 C-N-CA 123.596 0.758 . . . . 0.0 110.571 179.742 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 58' ' ' VAL . . . . . . . . . . . . . 77.7 t -72.28 -31.21 38.15 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.286 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.588 178.323 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 59' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -156.29 168.86 26.02 Favored 'General case' 0 C--N 1.341 0.206 0 N-CA-C 112.108 0.41 . . . . 0.0 112.108 178.986 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 76.4 tt0 -58.91 -31.03 68.27 Favored 'General case' 0 N--CA 1.457 -0.089 0 C-N-CA 123.415 0.686 . . . . 0.0 112.265 -178.403 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 19.3 tpp180 -59.38 -38.15 79.76 Favored 'General case' 0 CA--C 1.529 0.156 0 CA-C-N 118.913 0.779 . . . . 0.0 110.021 -179.612 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 62' ' ' ASN . . . . . . . . . . . . . 19.8 m120 -71.66 -24.96 61.93 Favored 'General case' 0 N--CA 1.451 -0.408 0 C-N-CA 120.925 -0.31 . . . . 0.0 111.2 179.215 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -75.71 -37.55 59.37 Favored 'General case' 0 N--CA 1.453 -0.315 0 O-C-N 122.18 -0.325 . . . . 0.0 110.286 178.412 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 64' ' ' ARG . . . . . . . . . . . . . 40.1 mmt180 -68.22 -27.43 66.37 Favored 'General case' 0 CA--C 1.523 -0.068 0 N-CA-C 109.959 -0.385 . . . . 0.0 109.959 178.67 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -77.46 -34.02 54.55 Favored 'General case' 0 N--CA 1.455 -0.223 0 CA-C-N 117.553 0.16 . . . . 0.0 110.674 -179.174 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -82.87 -35.47 26.21 Favored 'General case' 0 N--CA 1.454 -0.255 0 O-C-N 122.106 -0.371 . . . . 0.0 111.597 179.705 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 67' ' ' VAL . . . . . . . . . . . . . 53.7 t -65.11 -30.39 50.19 Favored 'Isoleucine or valine' 0 C--N 1.334 -0.09 0 O-C-N 122.134 -0.354 . . . . 0.0 110.09 176.226 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -96.07 -9.73 30.14 Favored 'General case' 0 CA--C 1.531 0.234 0 N-CA-C 112.145 0.424 . . . . 0.0 112.145 177.521 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . -102.51 -12.8 32.07 Favored Glycine 0 CA--C 1.528 0.868 0 CA-C-O 119.288 -0.729 . . . . 0.0 113.649 -177.307 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 70' ' ' GLU . . . . . 0.407 ' CD ' ' HE ' ' A' ' 73' ' ' ARG . 24.0 mm-40 -133.99 -19.21 2.02 Favored 'General case' 0 N--CA 1.462 0.161 0 CA-C-N 118.655 1.227 . . . . 0.0 112.248 -174.984 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 22.2 t70 -61.4 117.18 5.34 Favored 'General case' 0 N--CA 1.455 -0.185 0 CA-C-N 119.099 0.863 . . . . 0.0 109.993 178.419 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . 87.99 10.07 69.83 Favored Glycine 0 C--N 1.337 0.585 0 N-CA-C 110.996 -0.842 . . . . 0.0 110.996 178.938 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 73' ' ' ARG . . . . . 0.407 ' HE ' ' CD ' ' A' ' 70' ' ' GLU . 0.1 OUTLIER -76.47 168.59 19.8 Favored 'General case' 0 N--CA 1.451 -0.409 0 N-CA-C 106.346 -1.724 . . . . 0.0 106.346 171.419 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 74' ' ' MET . . . . . . . . . . . . . 34.3 ttm -113.96 121.49 44.08 Favored 'General case' 0 N--CA 1.45 -0.454 0 N-CA-C 109.069 -0.715 . . . . 0.0 109.069 -176.588 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 75' ' ' ILE . . . . . . . . . . . . . 0.2 OUTLIER -129.13 136.09 60.43 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.314 0 CA-C-N 116.043 -0.526 . . . . 0.0 109.717 179.526 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . 54.48 17.71 1.71 Allowed 'General case' 0 N--CA 1.453 -0.277 0 C-N-CA 123.375 0.67 . . . . 0.0 112.06 -173.973 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 89.13 4.57 74.36 Favored Glycine 0 CA--C 1.528 0.899 0 CA-C-O 119.577 -0.568 . . . . 0.0 111.949 -179.36 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 78' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -124.39 130.92 53.35 Favored 'General case' 0 N--CA 1.451 -0.396 0 CA-C-N 117.746 0.773 . . . . 0.0 110.372 -179.205 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 79' ' ' VAL . . . . . . . . . . . . . 45.8 t -63.29 140.21 20.02 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.186 0 C-N-CA 124.252 1.021 . . . . 0.0 110.484 -178.938 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 30.2 mt -94.54 155.43 16.92 Favored 'General case' 0 N--CA 1.456 -0.146 0 CA-C-O 120.661 0.267 . . . . 0.0 111.33 177.219 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 81' ' ' ASP . . . . . . . . . . . . . 38.3 m-20 -124.1 98.07 5.62 Favored 'General case' 0 N--CA 1.452 -0.368 0 N-CA-C 107.685 -1.228 . . . . 0.0 107.685 176.306 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 82' ' ' ILE . . . . . . . . . . . . . 63.2 mt -111.6 138.97 38.06 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.178 0 C-N-CA 123.509 0.724 . . . . 0.0 109.835 -170.248 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 83' ' ' ASN . . . . . . . . . . . . . 9.2 t30 -153.42 157.29 39.71 Favored 'General case' 0 N--CA 1.456 -0.166 0 N-CA-C 109.567 -0.531 . . . . 0.0 109.567 -175.034 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 84' ' ' LEU . . . . . . . . . . . . . 7.7 tp -61.21 138.79 58.22 Favored 'General case' 0 N--CA 1.451 -0.41 0 N-CA-C 109.393 -0.595 . . . . 0.0 109.393 174.981 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . -69.16 6.16 1.04 Allowed 'General case' 0 CA--C 1.532 0.26 0 N-CA-C 113.516 0.932 . . . . 0.0 113.516 -176.086 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . -134.43 4.77 3.43 Favored 'General case' 0 N--CA 1.455 -0.216 0 CA-C-N 118.427 0.558 . . . . 0.0 112.466 -176.278 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 67.9 mt-10 -139.12 53.17 4.81 Favored Pre-proline 0 CA--C 1.53 0.185 0 C-N-CA 122.372 0.269 . . . . 0.0 111.236 -178.769 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 88' ' ' PRO . . . . . . . . . . . . . 56.3 Cg_endo -63.57 153.8 72.79 Favored 'Trans proline' 0 N--CA 1.449 -1.101 0 C-N-CA 122.386 2.058 . . . . 0.0 109.169 176.854 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 89' ' ' LYS . . . . . 0.488 ' HG3' ' H ' ' A' ' 90' ' ' VAL . 15.6 ptpt -144.72 -105.03 0.11 Allowed 'General case' 0 N--CA 1.453 -0.303 0 CA-C-N 115.806 -0.634 . . . . 0.0 110.576 -171.833 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 90' ' ' VAL . . . . . 0.488 ' H ' ' HG3' ' A' ' 89' ' ' LYS . 21.6 t -130.51 -27.77 0.81 Allowed 'Isoleucine or valine' 0 C--N 1.331 -0.198 0 C-N-CA 124.808 1.243 . . . . 0.0 110.135 -177.482 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 91' ' ' ASN . . . . . . . . . . . . . 22.2 m120 -74.47 -5.66 43.84 Favored 'General case' 0 N--CA 1.451 -0.421 0 C-N-CA 122.478 0.311 . . . . 0.0 111.59 -176.231 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 92' ' ' ARG . . . . . . . . . . . . . 54.2 ttp180 -68.28 -42.69 79.17 Favored 'General case' 0 C--N 1.34 0.171 0 C-N-CA 123.065 0.546 . . . . 0.0 110.146 176.784 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . 65.84 179.17 8.79 Favored Glycine 0 CA--C 1.525 0.697 0 C-N-CA 123.287 0.47 . . . . 0.0 111.935 179.324 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 34.8 mmtm -142.11 -19.04 0.72 Allowed 'General case' 0 C--N 1.334 -0.105 0 C-N-CA 123.279 0.632 . . . . 0.0 112.067 176.915 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . -152.73 32.55 0.5 Allowed 'General case' 0 CA--C 1.53 0.183 0 CA-C-N 118.077 0.399 . . . . 0.0 112.049 178.391 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . 77.7 1.92 79.22 Favored Glycine 0 CA--C 1.525 0.716 0 N-CA-C 111.896 -0.482 . . . . 0.0 111.896 -178.894 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 97' ' ' VAL . . . . . 0.44 HG22 ' H ' ' A' ' 99' ' ' ARG . 14.7 p -112.48 138.38 41.8 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.253 0 CA-C-N 117.228 0.514 . . . . 0.0 109.634 177.226 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 98' ' ' LYS . . . . . . . . . . . . . 90.7 mttt -124.68 13.11 8.63 Favored 'General case' 0 C--N 1.338 0.072 0 C-N-CA 123.568 0.747 . . . . 0.0 110.781 -178.992 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 99' ' ' ARG . . . . . 0.496 ' HG3' ' H ' ' A' ' 100' ' ' SER . 2.2 tpm_? -103.49 178.27 4.6 Favored 'General case' 0 N--CA 1.455 -0.225 0 C-N-CA 124.903 1.281 . . . . 0.0 109.564 -179.63 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 100' ' ' SER . . . . . 0.496 ' H ' ' HG3' ' A' ' 99' ' ' ARG . 74.8 m -59.61 -19.61 50.21 Favored 'General case' 0 N--CA 1.455 -0.2 0 C-N-CA 123.401 0.68 . . . . 0.0 111.875 177.637 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 101' ' ' ALA . . . . . . . . . . . . . . . 52.38 18.81 0.99 Allowed 'General case' 0 CA--C 1.533 0.321 0 C-N-CA 124.045 0.938 . . . . 0.0 112.53 -177.668 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -149.83 7.91 0.65 Allowed 'General case' 0 CA--C 1.533 0.323 0 C-N-CA 123.491 0.716 . . . . 0.0 111.533 -178.074 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 10.7 pt-20 -81.55 -6.4 58.94 Favored 'General case' 0 CA--C 1.531 0.24 0 N-CA-C 112.52 0.563 . . . . 0.0 112.52 -175.644 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 104' ' ' MET . . . . . . . . . . . . . 24.9 ptp -131.88 11.57 4.73 Favored 'General case' 0 CA--C 1.528 0.133 0 N-CA-C 112.604 0.594 . . . . 0.0 112.604 -177.057 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 105' ' ' TYR . . . . . . . . . . . . . 74.6 m-85 -111.69 5.8 19.46 Favored 'General case' 0 CA--C 1.533 0.305 0 C-N-CA 123.106 0.562 . . . . 0.0 111.531 -179.085 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 106' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.523 0.589 0 N-CA-C 110.827 -0.909 . . . . 0.0 110.827 179.896 . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' B' B ' 1' ' ' ' U' . . . . . 0.496 ' C2 ' ' HA ' ' A' ' 22' ' ' ASN . . . . . . . . 0 O4'--C4' 1.416 -3.109 2 O4'-C1'-N19 114.612 6.412 OUTLIER-DELTA 0.0 '__' . 0.0 . . . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' B' B ' 2' ' ' ' U' . . . . . 0.454 " H4'" " H5'" ' B' ' 3' ' ' ' U' . . . . . . . . 0 O4'--C4' 1.421 -2.707 0 C5'-C4'-C3' 110.005 -3.664 . 0.245 4b . 0.0 . . . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 3' ' ' ' U' . . . . . 0.454 " H5'" " H4'" ' B' ' 2' ' ' ' U' . . . . . . . . 0 O4'--C4' 1.421 -2.684 0 O4'-C1'-N19 111.124 2.924 . 0.307 0b . 0.0 . . . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 4' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.422 -2.587 1 O4'-C1'-N19 113.083 4.883 . 0.248 4b . 0.0 . . . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 5' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.423 -2.492 0 C5'-C4'-C3' 112.815 -1.79 . 0.068 6d . 0.0 . . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.473 0.713 0 CA-C-O 120.482 0.182 . . . . 0.0 110.874 . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 46.9 m -66.01 155.78 35.65 Favored 'General case' 0 CA--C 1.526 0.056 0 C-N-CA 122.811 0.444 . . . . 0.0 111.218 -179.677 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 4' ' ' ASN . . . . . . . . . . . . . 67.3 t30 -82.67 -1.3 50.78 Favored 'General case' 0 CA--C 1.534 0.354 0 C-N-CA 122.438 0.295 . . . . 0.0 111.525 -178.498 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 87.0 t -91.35 130.42 40.55 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.223 0 C-N-CA 122.851 0.46 . . . . 0.0 110.909 -177.053 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 48.6 p -147.82 12.73 1.01 Allowed 'General case' 0 CA--C 1.532 0.254 0 C-N-CA 123.46 0.704 . . . . 0.0 111.876 -179.644 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 7' ' ' ASN . . . . . . . . . . . . . 60.8 t-20 -124.65 110.08 13.96 Favored 'General case' 0 CA--C 1.531 0.222 0 CA-C-N 119.11 0.868 . . . . 0.0 111.828 -178.391 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 56.2 mtmt -151.41 165.93 32.61 Favored 'General case' 0 N--CA 1.462 0.154 0 C-N-CA 126.235 1.814 . . . . 0.0 107.822 174.775 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 75.4 p -125.48 15.07 8.24 Favored 'General case' 0 CA--C 1.527 0.091 0 N-CA-C 112.349 0.5 . . . . 0.0 112.349 -178.493 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 19.6 m-20 -81.05 152.83 71.84 Favored Pre-proline 0 N--CA 1.454 -0.246 0 CA-C-O 120.54 0.209 . . . . 0.0 111.16 179.937 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 11' ' ' PRO . . . . . 0.439 ' C ' ' H ' ' A' ' 13' ' ' SER . 55.8 Cg_endo -63.58 139.85 72.12 Favored 'Trans proline' 0 N--CA 1.447 -1.248 0 C-N-CA 122.958 2.439 . . . . 0.0 109.638 178.923 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 12' ' ' ARG . . . . . 0.4 ' HD3' ' HA ' ' A' ' 12' ' ' ARG . 18.6 mmt85 60.28 1.08 0.34 Allowed 'General case' 0 N--CA 1.462 0.152 0 C-N-CA 125.314 1.446 . . . . 0.0 112.997 -176.721 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 13' ' ' SER . . . . . 0.439 ' H ' ' C ' ' A' ' 11' ' ' PRO . 50.2 m -101.85 -24.48 14.03 Favored 'General case' 0 C--N 1.331 -0.237 0 N-CA-C 109.475 -0.565 . . . . 0.0 109.475 169.723 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 14' ' ' MET . . . . . . . . . . . . . 10.3 ptm -108.12 -5.08 17.14 Favored 'General case' 0 N--CA 1.453 -0.281 0 N-CA-C 112.663 0.616 . . . . 0.0 112.663 173.144 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 21.0 m120 -97.97 -19.76 17.84 Favored 'General case' 0 N--CA 1.456 -0.134 0 CA-C-N 118.059 0.39 . . . . 0.0 111.171 -179.38 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 79.1 p -88.24 6.03 38.82 Favored 'General case' 0 N--CA 1.455 -0.213 0 C-N-CA 123.87 0.868 . . . . 0.0 110.868 172.564 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 35.2 ttm180 -95.58 153.27 17.8 Favored 'General case' 0 C--O 1.233 0.189 0 C-N-CA 124.112 0.965 . . . . 0.0 110.042 -179.262 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 96.5 t -131.28 132.42 63.03 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.315 0 CA-C-O 120.915 0.388 . . . . 0.0 110.088 176.296 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 29.4 t80 -92.54 135.36 34.13 Favored 'General case' 0 N--CA 1.452 -0.353 0 CA-C-N 115.439 -0.8 . . . . 0.0 108.943 175.884 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 59.0 mt -122.68 83.61 0.82 Allowed 'Isoleucine or valine' 0 CA--C 1.523 -0.096 0 N-CA-C 107.979 -1.119 . . . . 0.0 107.979 -179.56 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -83.28 173.8 51.96 Favored Glycine 0 CA--C 1.524 0.644 0 N-CA-C 110.97 -0.852 . . . . 0.0 110.97 178.417 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 56.1 t30 48.58 49.12 18.94 Favored 'General case' 0 N--CA 1.454 -0.26 0 C-N-CA 123.264 0.626 . . . . 0.0 111.124 -178.257 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 55.8 tp -99.91 144.4 29.01 Favored 'General case' 0 CA--C 1.531 0.238 0 N-CA-C 109.195 -0.669 . . . . 0.0 109.195 179.868 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 63.6 t30 -69.41 -36.48 76.76 Favored 'General case' 0 CA--C 1.53 0.192 0 O-C-N 122.257 -0.277 . . . . 0.0 111.223 -177.715 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 46.1 p 52.93 2.2 0.02 OUTLIER 'General case' 0 N--CA 1.466 0.328 0 C-N-CA 126.886 2.074 . . . . 0.0 115.363 178.971 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 7.1 mp -96.16 -16.03 21.74 Favored 'General case' 0 N--CA 1.454 -0.239 0 C-N-CA 123.436 0.694 . . . . 0.0 111.23 177.027 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 57.4 t -125.99 -20.74 2.46 Favored 'Isoleucine or valine' 0 C--N 1.338 0.101 0 C-N-CA 122.728 0.411 . . . . 0.0 110.634 179.566 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 58.4 t -107.39 140.87 24.16 Favored 'Isoleucine or valine' 0 C--N 1.337 0.065 0 N-CA-C 109.777 -0.453 . . . . 0.0 109.777 177.216 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 2.5 mptp? -133.36 172.72 12.31 Favored 'General case' 0 C--N 1.337 0.041 0 C-N-CA 123.759 0.824 . . . . 0.0 109.655 -178.986 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 4.0 ptmm? -66.11 -5.54 10.26 Favored 'General case' 0 CA--C 1.528 0.118 0 C-N-CA 123.735 0.814 . . . . 0.0 112.104 179.544 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 35.7 m -98.18 -0.05 44.97 Favored 'General case' 0 CA--C 1.533 0.296 0 C-N-CA 123.597 0.759 . . . . 0.0 110.507 174.812 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 20.6 m-20 -117.02 -33.74 4.62 Favored 'General case' 0 N--CA 1.455 -0.218 0 C-N-CA 123.867 0.867 . . . . 0.0 110.452 -179.265 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 84.7 t -62.77 -32.4 55.6 Favored 'Isoleucine or valine' 0 N--CA 1.456 -0.142 0 N-CA-C 109.159 -0.682 . . . . 0.0 109.159 178.209 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 23.9 pt-20 -78.92 7.14 7.66 Favored 'General case' 0 CA--C 1.53 0.189 0 N-CA-C 112.124 0.416 . . . . 0.0 112.124 178.374 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -126.66 -7.31 6.23 Favored 'General case' 0 CA--C 1.531 0.248 0 C-N-CA 123.179 0.591 . . . . 0.0 111.03 177.74 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 74.3 mt -110.79 -27.67 2.8 Favored 'Isoleucine or valine' 0 C--O 1.232 0.135 0 C-N-CA 122.955 0.502 . . . . 0.0 110.562 178.836 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 37' ' ' PHE . . . . . . . . . . . . . 64.4 m-85 -102.67 -8.62 20.75 Favored 'General case' 0 N--CA 1.453 -0.28 0 C-N-CA 122.586 0.355 . . . . 0.0 111.106 179.515 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 66.0 p -72.87 -14.03 61.4 Favored 'General case' 0 C--N 1.338 0.106 0 C-N-CA 122.444 0.298 . . . . 0.0 111.589 -179.013 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 18.4 ptmt -83.23 -11.24 58.01 Favored 'General case' 0 CA--C 1.529 0.171 0 C-N-CA 123.361 0.664 . . . . 0.0 112.232 179.063 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 40' ' ' TYR . . . . . . . . . . . . . 78.8 m-85 -105.7 -15.05 15.07 Favored 'General case' 0 C--O 1.233 0.221 0 C-N-CA 122.475 0.31 . . . . 0.0 111.275 177.822 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -176.24 160.7 28.65 Favored Glycine 0 CA--C 1.522 0.507 0 N-CA-C 111.989 -0.444 . . . . 0.0 111.989 174.084 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 78.3 tttt -71.57 114.74 9.97 Favored 'General case' 0 N--CA 1.45 -0.451 0 N-CA-C 109.075 -0.713 . . . . 0.0 109.075 177.504 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 43' ' ' ILE . . . . . . . . . . . . . 74.3 mt -83.65 129.21 37.92 Favored 'Isoleucine or valine' 0 C--O 1.233 0.236 0 N-CA-C 109.688 -0.486 . . . . 0.0 109.688 -177.713 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 33.7 m -110.89 -5.08 11.15 Favored 'Isoleucine or valine' 0 CA--C 1.528 0.128 0 C-N-CA 123.303 0.641 . . . . 0.0 110.756 179.276 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . -167.43 144.11 8.74 Favored Glycine 0 CA--C 1.523 0.586 0 N-CA-C 109.687 -1.365 . . . . 0.0 109.687 177.388 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 46' ' ' CYS . . . . . . . . . . . . . 31.2 p -149.09 146.54 27.76 Favored 'General case' 0 N--CA 1.453 -0.301 0 CA-C-N 116.967 0.383 . . . . 0.0 110.089 -178.755 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 28.3 t -156.96 148.17 22.06 Favored 'General case' 0 N--CA 1.453 -0.303 0 N-CA-C 110.35 -0.241 . . . . 0.0 110.35 177.287 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 48' ' ' VAL . . . . . . . . . . . . . 92.8 t -125.82 147.09 30.62 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.206 0 N-CA-C 109.343 -0.614 . . . . 0.0 109.343 175.747 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 49' ' ' HIS . . . . . . . . . . . . . 56.1 m-70 -133.99 -166.87 1.86 Allowed 'General case' 0 N--CA 1.451 -0.393 0 C-N-CA 124.7 1.2 . . . . 0.0 107.944 -177.202 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 54.4 tttp -90.32 117.55 29.14 Favored 'General case' 0 N--CA 1.45 -0.456 0 C-N-CA 120.541 -0.464 . . . . 0.0 110.045 179.133 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 81.09 -6.34 63.4 Favored Glycine 0 CA--C 1.53 1.006 0 CA-C-O 119.538 -0.59 . . . . 0.0 113.678 179.48 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 51.2 p90 -155.56 170.9 20.92 Favored 'General case' 0 N--CA 1.456 -0.167 0 CA-C-N 118.548 1.174 . . . . 0.0 111.462 178.11 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -148.88 174.14 12.55 Favored 'General case' 0 N--CA 1.455 -0.188 0 C-N-CA 123.736 0.814 . . . . 0.0 110.444 177.434 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 54' ' ' PHE . . . . . . . . . . . . . 7.5 m-85 -141.02 148.22 39.91 Favored 'General case' 0 N--CA 1.454 -0.266 0 C-N-CA 123.572 0.749 . . . . 0.0 110.932 179.772 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 91.4 t -136.84 149.41 26.51 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.255 0 C-N-CA 124.166 0.986 . . . . 0.0 108.769 178.25 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 56' ' ' GLN . . . . . . . . . . . . . 58.3 tp60 -130.36 130.86 44.95 Favored 'General case' 0 N--CA 1.449 -0.519 0 N-CA-C 109.163 -0.68 . . . . 0.0 109.163 -178.77 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 57' ' ' TYR . . . . . . . . . . . . . 45.9 m-85 -112.47 177.75 4.53 Favored 'General case' 0 C--N 1.332 -0.184 0 C-N-CA 123.059 0.544 . . . . 0.0 110.752 -179.635 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 58' ' ' VAL . . . . . . . . . . . . . 53.7 t -72.45 -32.1 40.68 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.323 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.523 177.833 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 59' ' ' ASN . . . . . . . . . . . . . 0.0 OUTLIER -153.84 168.07 27.56 Favored 'General case' 0 N--CA 1.454 -0.268 0 N-CA-C 112.699 0.629 . . . . 0.0 112.699 178.99 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 86.3 tt0 -58.27 -30.66 66.76 Favored 'General case' 0 N--CA 1.454 -0.249 0 C-N-CA 123.963 0.905 . . . . 0.0 112.186 -178.165 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 19.3 tpp180 -60.81 -38.83 86.71 Favored 'General case' 0 C--N 1.338 0.105 0 CA-C-N 118.815 0.734 . . . . 0.0 110.239 179.96 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 62' ' ' ASN . . . . . . . . . . . . . 20.2 m120 -69.93 -25.6 63.74 Favored 'General case' 0 N--CA 1.452 -0.341 0 C-N-CA 120.854 -0.338 . . . . 0.0 110.987 179.831 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -74.22 -37.15 63.92 Favored 'General case' 0 N--CA 1.454 -0.241 0 N-CA-C 110.392 -0.225 . . . . 0.0 110.392 178.153 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 64' ' ' ARG . . . . . . . . . . . . . 35.1 mmt180 -69.0 -27.02 65.32 Favored 'General case' 0 CA--C 1.528 0.104 0 N-CA-C 110.239 -0.282 . . . . 0.0 110.239 179.178 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -78.27 -33.49 49.54 Favored 'General case' 0 N--CA 1.452 -0.366 0 O-C-N 122.512 -0.117 . . . . 0.0 111.255 -179.061 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -83.46 -35.07 25.23 Favored 'General case' 0 N--CA 1.45 -0.43 0 O-C-N 122.192 -0.318 . . . . 0.0 111.566 179.188 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 67' ' ' VAL . . . . . . . . . . . . . 54.1 t -65.31 -30.83 51.44 Favored 'Isoleucine or valine' 0 CA--C 1.527 0.062 0 N-CA-C 109.859 -0.422 . . . . 0.0 109.859 175.971 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -95.33 -10.2 30.81 Favored 'General case' 0 CA--C 1.53 0.198 0 N-CA-C 112.31 0.485 . . . . 0.0 112.31 177.467 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . -102.0 -13.0 32.74 Favored Glycine 0 CA--C 1.528 0.88 0 CA-C-O 119.323 -0.709 . . . . 0.0 114.094 -177.72 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 25.6 mm-40 -133.55 -19.18 2.14 Favored 'General case' 0 N--CA 1.462 0.151 0 CA-C-N 118.497 1.148 . . . . 0.0 112.24 -175.242 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 22.9 t70 -61.69 117.7 6.15 Favored 'General case' 0 C--O 1.231 0.095 0 O-C-N 121.258 -0.901 . . . . 0.0 109.573 178.348 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . 87.21 10.3 71.62 Favored Glycine 0 C--N 1.336 0.58 0 N-CA-C 110.973 -0.851 . . . . 0.0 110.973 178.738 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 73' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -76.38 169.15 18.77 Favored 'General case' 0 N--CA 1.448 -0.539 0 N-CA-C 106.308 -1.738 . . . . 0.0 106.308 171.73 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 74' ' ' MET . . . . . . . . . . . . . 33.3 ttm -114.3 121.91 45.11 Favored 'General case' 0 N--CA 1.449 -0.506 0 N-CA-C 109.203 -0.665 . . . . 0.0 109.203 -176.895 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 75' ' ' ILE . . . . . . . . . . . . . 0.2 OUTLIER -129.45 135.79 60.81 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.435 0 N-CA-C 109.483 -0.562 . . . . 0.0 109.483 179.469 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . 54.67 17.95 1.89 Allowed 'General case' 0 N--CA 1.455 -0.218 0 C-N-CA 123.329 0.652 . . . . 0.0 112.184 -174.346 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 89.33 4.31 74.16 Favored Glycine 0 CA--C 1.529 0.955 0 CA-C-O 119.727 -0.485 . . . . 0.0 112.06 -179.402 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 78' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -124.58 131.47 53.48 Favored 'General case' 0 N--CA 1.45 -0.451 0 CA-C-N 117.598 0.699 . . . . 0.0 110.389 -179.19 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 79' ' ' VAL . . . . . . . . . . . . . 51.4 t -63.32 140.89 18.9 Favored 'Isoleucine or valine' 0 CA--C 1.522 -0.115 0 C-N-CA 124.379 1.072 . . . . 0.0 110.219 -178.747 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 29.6 mt -95.54 156.06 16.48 Favored 'General case' 0 C--N 1.337 0.052 0 CA-C-O 120.846 0.355 . . . . 0.0 111.292 176.957 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 81' ' ' ASP . . . . . . . . . . . . . 4.7 m-20 -125.06 99.63 6.2 Favored 'General case' 0 N--CA 1.455 -0.19 0 N-CA-C 107.677 -1.231 . . . . 0.0 107.677 176.665 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 82' ' ' ILE . . . . . . . . . . . . . 64.9 mt -113.31 140.56 32.85 Favored 'Isoleucine or valine' 0 C--N 1.333 -0.109 0 C-N-CA 123.704 0.801 . . . . 0.0 110.206 -170.113 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 83' ' ' ASN . . . . . . . . . . . . . 8.6 t30 -153.53 156.51 38.22 Favored 'General case' 0 CA--C 1.531 0.241 0 C-N-CA 122.33 0.252 . . . . 0.0 110.627 -175.097 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 84' ' ' LEU . . . . . . . . . . . . . 1.1 tm? -60.47 128.86 38.75 Favored 'General case' 0 N--CA 1.449 -0.505 0 N-CA-C 108.615 -0.883 . . . . 0.0 108.615 174.057 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . -62.41 -4.05 1.69 Allowed 'General case' 0 CA--C 1.532 0.272 0 N-CA-C 114.673 1.36 . . . . 0.0 114.673 -173.171 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . -127.28 7.06 6.43 Favored 'General case' 0 N--CA 1.456 -0.165 0 CA-C-N 118.596 0.634 . . . . 0.0 112.389 -176.394 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 66.3 mt-10 -138.9 57.94 12.2 Favored Pre-proline 0 C--O 1.233 0.201 0 C-N-CA 122.25 0.22 . . . . 0.0 111.088 -178.939 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 88' ' ' PRO . . . . . . . . . . . . . 58.1 Cg_endo -64.34 156.21 61.31 Favored 'Trans proline' 0 N--CA 1.453 -0.907 0 C-N-CA 122.438 2.092 . . . . 0.0 109.774 176.431 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 89' ' ' LYS . . . . . 0.43 ' HG3' ' H ' ' A' ' 90' ' ' VAL . 15.2 ptpt -140.36 -102.28 0.15 Allowed 'General case' 0 N--CA 1.45 -0.439 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.986 -172.397 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 90' ' ' VAL . . . . . 0.43 ' H ' ' HG3' ' A' ' 89' ' ' LYS . 5.7 m -127.94 -14.98 2.95 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.176 0 C-N-CA 124.204 1.002 . . . . 0.0 111.632 -177.31 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 91' ' ' ASN . . . . . . . . . . . . . 21.8 m120 -82.2 9.5 8.61 Favored 'General case' 0 N--CA 1.452 -0.349 0 C-N-CA 123.156 0.582 . . . . 0.0 112.185 -178.197 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 92' ' ' ARG . . . . . . . . . . . . . 66.3 ttp85 -85.03 -92.4 0.09 Allowed 'General case' 0 C--O 1.225 -0.232 0 N-CA-C 109.325 -0.62 . . . . 0.0 109.325 175.793 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . 55.83 -144.85 34.06 Favored Glycine 0 CA--C 1.525 0.711 0 N-CA-C 111.028 -0.829 . . . . 0.0 111.028 -178.862 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 53.0 tttp -145.93 -15.78 0.47 Allowed 'General case' 0 N--CA 1.453 -0.303 0 C-N-CA 123.219 0.608 . . . . 0.0 112.006 175.925 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . -151.74 176.48 11.35 Favored 'General case' 0 CA--C 1.53 0.202 0 C-N-CA 122.999 0.52 . . . . 0.0 109.995 -176.583 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . -70.74 -4.86 55.26 Favored Glycine 0 CA--C 1.526 0.764 0 CA-C-O 119.696 -0.502 . . . . 0.0 112.559 179.204 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 97' ' ' VAL . . . . . 0.459 HG22 ' H ' ' A' ' 99' ' ' ARG . 11.3 p -109.29 139.78 30.75 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.276 0 CA-C-N 117.596 0.698 . . . . 0.0 109.17 176.994 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 98' ' ' LYS . . . . . . . . . . . . . 35.0 mmtp -118.82 13.93 13.28 Favored 'General case' 0 CA--C 1.529 0.14 0 C-N-CA 123.334 0.654 . . . . 0.0 111.979 -176.542 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 99' ' ' ARG . . . . . 0.459 ' H ' HG22 ' A' ' 97' ' ' VAL . 2.4 mpp_? -115.83 167.54 10.85 Favored 'General case' 0 C--O 1.231 0.1 0 C-N-CA 124.034 0.933 . . . . 0.0 109.861 178.789 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 71.6 m -72.12 -8.6 55.56 Favored 'General case' 0 N--CA 1.454 -0.232 0 C-N-CA 122.789 0.436 . . . . 0.0 111.793 178.281 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 101' ' ' ALA . . . . . . . . . . . . . . . 52.28 15.46 0.46 Allowed 'General case' 0 CA--C 1.534 0.338 0 C-N-CA 124.194 0.998 . . . . 0.0 112.357 -173.739 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -150.85 15.6 0.75 Allowed 'General case' 0 CA--C 1.53 0.185 0 C-N-CA 123.694 0.798 . . . . 0.0 111.14 -178.217 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 16.2 pt-20 -69.43 -2.66 11.69 Favored 'General case' 0 CA--C 1.531 0.225 0 N-CA-C 112.779 0.659 . . . . 0.0 112.779 -175.576 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 104' ' ' MET . . . . . . . . . . . . . 73.7 mtm -109.04 8.54 26.23 Favored 'General case' 0 CA--C 1.53 0.183 0 C-N-CA 123.445 0.698 . . . . 0.0 111.215 178.016 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 105' ' ' TYR . . . . . . . . . . . . . 63.9 m-85 -133.83 2.27 3.4 Favored 'General case' 0 CA--C 1.531 0.246 0 C-N-CA 123.069 0.547 . . . . 0.0 111.816 -177.993 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 106' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--N 1.339 0.706 0 N-CA-C 111.586 -0.606 . . . . 0.0 111.586 179.622 . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' B' B ' 1' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.419 -2.862 0 O4'-C1'-N19 111.936 3.736 . 0.0 '__' . 0.0 . . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' B' B ' 2' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.419 -2.85 1 O4'-C1'-N19 112.498 4.298 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 3' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.418 -2.919 0 O4'-C1'-N19 110.888 2.688 . 0.258 0b . 0.0 . . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' B' B ' 4' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.42 -2.71 1 O4'-C1'-N19 112.876 4.676 . 0.055 4b . 0.0 . . . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 5' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.424 -2.419 1 O4'-C1'-N19 113.412 5.212 . 0.554 2u . 0.0 . . . . . . . . . . 1 1 . 1 stop_ save_