data_2lef_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 2lef _Structure_validation_residue.Date_analyzed 2016-10-07 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 ' 8' ' ' ASN . . . . . . . . . . . . . 6.1 p30 . . . . . 0 N--CA 1.449 -0.5 0 CA-C-O 121.824 0.821 . . . . 0.0 111.159 . . . . . . . . . 0 0 . 1 . 001 nuclear orig core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -38.95 -63.39 0.53 Allowed 'General case' 0 N--CA 1.45 -0.431 0 C-N-CA 126.789 2.035 . . . . 0.0 113.683 -178.89 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 10' ' ' PHE . . . . . . . . . . . . . 5.3 m-85 -68.3 -23.54 64.75 Favored 'General case' 0 N--CA 1.455 -0.223 0 O-C-N 121.487 -0.758 . . . . 0.0 111.333 -169.507 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 11' ' ' MET . . . . . . . . . . . . . 58.2 mmm -69.29 -38.57 78.38 Favored 'General case' 0 N--CA 1.451 -0.377 0 N-CA-C 109.16 -0.682 . . . . 0.0 109.16 179.209 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 70.1 mt -68.31 -44.08 76.22 Favored 'General case' 0 CA--C 1.519 -0.239 0 O-C-N 121.762 -0.586 . . . . 0.0 110.031 172.515 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 12.1 t80 -55.46 -44.57 76.53 Favored 'General case' 0 C--N 1.339 0.125 0 C-N-CA 119.858 -0.737 . . . . 0.0 109.815 179.346 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 14' ' ' MET . . . . . . . . . . . . . 32.5 ttm -54.2 -62.74 1.46 Allowed 'General case' 0 N--CA 1.449 -0.489 0 C-N-CA 123.494 0.718 . . . . 0.0 110.144 169.909 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 15.9 mmtt -45.1 -43.5 9.72 Favored 'General case' 0 CA--C 1.537 0.451 0 CA-C-N 118.728 0.695 . . . . 0.0 112.173 -177.511 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 47.1 mt-10 -71.44 -66.09 0.67 Allowed 'General case' 0 CA--C 1.538 0.494 0 C-N-CA 123.343 0.657 . . . . 0.0 112.061 178.182 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 17' ' ' MET . . . . . . . . . . . . . 6.5 mtp -79.83 -32.18 40.59 Favored 'General case' 0 C--O 1.226 -0.149 0 N-CA-C 114.1 1.148 . . . . 0.0 114.1 -169.013 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 7.1 tmm_? -54.95 -43.21 73.2 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 118.829 0.74 . . . . 0.0 111.139 -172.916 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -52.8 -49.43 65.64 Favored 'General case' 0 CA--C 1.534 0.329 0 O-C-N 122.054 -0.404 . . . . 0.0 110.704 173.078 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 20' ' ' ASN . . . . . . . . . . . . . 2.7 t30 -59.94 -48.51 81.39 Favored 'General case' 0 C--O 1.224 -0.272 0 C-N-CA 122.608 0.363 . . . . 0.0 110.08 176.902 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 70.5 t -52.71 -51.45 35.53 Favored 'Isoleucine or valine' 0 C--N 1.333 -0.112 0 CA-C-N 118.776 0.716 . . . . 0.0 110.328 177.493 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 44.8 t -63.05 -38.0 80.87 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.374 0 C-N-CA 122.892 0.477 . . . . 0.0 110.184 -177.098 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -65.29 -45.39 84.58 Favored 'General case' 0 CA--C 1.536 0.424 0 O-C-N 121.958 -0.464 . . . . 0.0 111.911 175.062 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 25.6 mm-40 -73.5 -53.44 10.6 Favored 'General case' 0 CA--C 1.531 0.221 0 C-N-CA 124.205 1.002 . . . . 0.0 111.307 -173.724 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 51.4 p -82.87 177.52 8.61 Favored 'General case' 0 N--CA 1.452 -0.353 0 C-N-CA 123.804 0.842 . . . . 0.0 110.651 -172.498 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 5.0 p -84.09 -10.46 57.8 Favored 'General case' 0 N--CA 1.448 -0.54 0 C-N-CA 123.912 0.885 . . . . 0.0 111.538 170.417 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -90.23 155.94 18.65 Favored 'General case' 0 N--CA 1.451 -0.409 0 CA-C-O 122.196 0.998 . . . . 0.0 112.989 -169.722 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 7.9 mptt -137.08 -42.39 0.57 Allowed 'General case' 0 N--CA 1.45 -0.461 0 CA-C-N 113.683 -1.599 . . . . 0.0 109.14 173.966 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 2.8 mp0 -39.26 106.29 0.05 Allowed 'General case' 0 C--O 1.235 0.335 0 C-N-CA 127.331 2.252 . . . . 0.0 110.125 -177.253 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 10.8 t -53.58 -47.6 69.98 Favored 'General case' 0 C--O 1.22 -0.47 0 CA-C-N 116.116 -0.493 . . . . 0.0 112.006 -168.625 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -56.8 -38.48 72.61 Favored 'General case' 0 CA--C 1.535 0.369 0 CA-C-N 119.985 1.266 . . . . 0.0 113.161 -178.3 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -71.07 -50.94 28.44 Favored 'General case' 0 CA--C 1.531 0.219 0 CA-C-O 121.798 0.809 . . . . 0.0 109.498 175.642 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 33' ' ' ILE . . . . . . . . . . . . . 6.7 mm -53.33 -34.94 23.37 Favored 'Isoleucine or valine' 0 CA--C 1.546 0.792 0 C-N-CA 124.814 1.246 . . . . 0.0 112.059 178.847 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 82.3 m-20 -74.98 -36.11 62.03 Favored 'General case' 0 C--N 1.329 -0.286 0 O-C-N 120.568 -1.332 . . . . 0.0 109.8 -179.075 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 39.1 mt-30 -64.5 -37.88 89.07 Favored 'General case' 0 CA--C 1.533 0.292 0 O-C-N 121.708 -0.62 . . . . 0.0 109.351 169.278 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 22.0 mt -55.01 -49.88 67.69 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.327 0 CA-C-O 117.979 -1.01 . . . . 0.0 109.651 169.522 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 4.5 mm? -53.07 -45.16 68.01 Favored 'General case' 0 N--CA 1.469 0.49 0 CA-C-N 120.682 1.583 . . . . 0.0 110.566 174.5 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -47.62 -54.94 10.05 Favored Glycine 0 CA--C 1.533 1.172 0 C-N-CA 123.699 0.666 . . . . 0.0 112.036 172.361 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -55.58 -52.82 62.46 Favored 'General case' 0 N--CA 1.45 -0.435 0 O-C-N 121.441 -1.035 . . . . 0.0 110.257 174.261 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 4.8 mmp_? -59.29 -28.56 66.87 Favored 'General case' 0 N--CA 1.454 -0.272 0 C-N-CA 123.513 0.725 . . . . 0.0 110.208 -171.821 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 41' ' ' TRP . . . . . . . . . . . . . 56.7 t-105 -52.51 -38.52 59.76 Favored 'General case' 0 N--CA 1.452 -0.335 0 O-C-N 121.897 -0.502 . . . . 0.0 111.224 175.312 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 42' ' ' HIS . . . . . . . . . . . . . 51.7 m80 -61.3 -19.69 62.06 Favored 'General case' 0 N--CA 1.453 -0.292 0 C-N-CA 123.649 0.78 . . . . 0.0 112.076 -177.189 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -79.44 -19.16 50.6 Favored 'General case' 0 CA--C 1.534 0.364 0 C-N-CA 122.701 0.4 . . . . 0.0 112.043 176.486 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 26.8 mt -73.96 122.35 22.45 Favored 'General case' 0 N--CA 1.454 -0.255 0 CA-C-N 118.796 0.725 . . . . 0.0 111.077 -174.787 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 79.4 p -59.1 158.93 7.97 Favored 'General case' 0 CA--C 1.532 0.265 0 N-CA-C 109.047 -0.723 . . . . 0.0 109.047 168.99 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 41.6 ptt180 -50.75 -36.85 38.72 Favored 'General case' 0 CA--C 1.536 0.411 0 O-C-N 121.787 -0.57 . . . . 0.0 111.797 179.141 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 59.1 mp0 -67.0 -49.94 63.78 Favored 'General case' 0 N--CA 1.453 -0.322 0 C-N-CA 123.292 0.637 . . . . 0.0 110.756 177.559 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 36.8 mt-10 -56.2 -43.2 78.24 Favored 'General case' 0 C--O 1.227 -0.124 0 O-C-N 122.256 -0.277 . . . . 0.0 110.458 175.694 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 73.3 mt-30 -56.65 -59.2 5.36 Favored 'General case' 0 N--CA 1.455 -0.197 0 N-CA-C 109.094 -0.706 . . . . 0.0 109.094 174.334 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -46.93 -43.61 19.17 Favored 'General case' 0 C--O 1.235 0.301 0 C-N-CA 123.734 0.813 . . . . 0.0 112.239 -179.439 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -47.59 -40.14 18.51 Favored 'General case' 0 CA--C 1.533 0.3 0 C-N-CA 122.948 0.499 . . . . 0.0 111.524 177.29 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 52' ' ' TYR . . . . . . . . . . . . . 38.6 m-85 -64.73 -35.4 80.95 Favored 'General case' 0 CA--C 1.514 -0.413 0 O-C-N 121.502 -0.748 . . . . 0.0 112.904 179.505 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 53' ' ' TYR . . . . . . . . . . . . . 41.2 m-85 -72.0 -42.54 66.3 Favored 'General case' 0 N--CA 1.45 -0.44 0 N-CA-C 107.031 -1.47 . . . . 0.0 107.031 -176.515 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 43.1 mt-10 -53.84 -64.16 0.92 Allowed 'General case' 0 CA--C 1.536 0.41 0 C-N-CA 122.714 0.405 . . . . 0.0 110.253 170.045 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 4.6 mp -46.02 -52.52 11.71 Favored 'General case' 0 N--CA 1.462 0.15 0 C-N-CA 124.562 1.145 . . . . 0.0 113.092 176.585 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.369 0 N-CA-C 108.588 -0.893 . . . . 0.0 108.588 176.785 . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 5.0 p30 . . . . . 0 N--CA 1.442 -0.852 0 CA-C-O 122.702 1.239 . . . . 0.0 111.316 . . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -38.84 -56.89 1.3 Allowed 'General case' 0 N--CA 1.442 -0.86 0 C-N-CA 126.824 2.05 . . . . 0.0 113.425 -178.671 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 10' ' ' PHE . . . . . . . . . . . . . 5.0 m-85 -69.59 -26.43 64.45 Favored 'General case' 0 N--CA 1.451 -0.377 0 O-C-N 121.563 -0.711 . . . . 0.0 111.223 -171.253 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 11' ' ' MET . . . . . . . . . . . . . 56.8 mmm -69.84 -42.61 73.37 Favored 'General case' 0 N--CA 1.453 -0.28 0 N-CA-C 108.645 -0.872 . . . . 0.0 108.645 -179.98 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 45.4 mt -63.79 -44.54 93.04 Favored 'General case' 0 N--CA 1.456 -0.166 0 O-C-N 121.842 -0.536 . . . . 0.0 109.587 173.75 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 23.3 t80 -54.37 -46.44 73.03 Favored 'General case' 0 C--N 1.341 0.208 0 N-CA-C 109.549 -0.537 . . . . 0.0 109.549 178.903 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 14' ' ' MET . . . . . . . . . . . . . 31.6 ttm -53.85 -59.96 3.95 Favored 'General case' 0 N--CA 1.448 -0.542 0 C-N-CA 123.253 0.621 . . . . 0.0 110.3 171.33 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 31.6 mttt -48.36 -44.17 34.27 Favored 'General case' 0 CA--C 1.534 0.356 0 CA-C-N 119.205 0.911 . . . . 0.0 112.136 -177.549 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 45.4 mt-10 -69.35 -62.17 1.49 Allowed 'General case' 0 CA--C 1.536 0.432 0 C-N-CA 122.844 0.458 . . . . 0.0 111.883 179.578 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 17' ' ' MET . . . . . . . . . . . . . 6.6 mtp -84.7 -30.27 24.93 Favored 'General case' 0 C--O 1.226 -0.144 0 N-CA-C 114.628 1.344 . . . . 0.0 114.628 -169.08 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 7.1 tmm_? -56.92 -43.91 81.92 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-N 119.112 0.869 . . . . 0.0 111.466 -171.708 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -52.7 -47.25 67.37 Favored 'General case' 0 CA--C 1.534 0.339 0 O-C-N 121.74 -0.6 . . . . 0.0 110.603 172.848 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 20' ' ' ASN . . . . . . . . . . . . . 5.8 t30 -61.9 -45.98 91.39 Favored 'General case' 0 N--CA 1.453 -0.301 0 CA-C-O 119.545 -0.264 . . . . 0.0 110.476 177.503 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 72.5 t -53.79 -51.39 44.69 Favored 'Isoleucine or valine' 0 C--O 1.227 -0.088 0 CA-C-N 118.827 0.74 . . . . 0.0 110.481 175.677 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 51.0 t -60.73 -36.73 72.99 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.38 0 N-CA-C 109.701 -0.481 . . . . 0.0 109.701 -178.33 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -65.02 -46.68 80.33 Favored 'General case' 0 CA--C 1.539 0.532 0 O-C-N 121.879 -0.513 . . . . 0.0 112.267 172.93 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 60.7 mt-10 -66.14 -57.71 7.04 Favored 'General case' 0 CA--C 1.531 0.229 0 CA-C-O 121.632 0.729 . . . . 0.0 111.622 -177.742 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 53.2 p -83.97 173.14 11.42 Favored 'General case' 0 N--CA 1.448 -0.545 0 C-N-CA 125.109 1.364 . . . . 0.0 111.466 -168.695 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 9.6 p -81.73 -9.8 59.54 Favored 'General case' 0 N--CA 1.448 -0.531 0 C-N-CA 123.472 0.709 . . . . 0.0 111.13 169.777 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -87.21 159.43 18.84 Favored 'General case' 0 N--CA 1.45 -0.457 0 CA-C-O 122.535 1.16 . . . . 0.0 112.731 -170.041 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 8.4 mptt -142.07 -45.97 0.34 Allowed 'General case' 0 N--CA 1.447 -0.58 0 CA-C-N 113.176 -1.829 . . . . 0.0 108.783 176.066 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 46.7 mt-10 -39.65 103.97 0.03 OUTLIER 'General case' 0 C--N 1.344 0.353 0 C-N-CA 125.994 1.718 . . . . 0.0 109.68 -174.086 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 21.1 t -50.27 -47.14 55.46 Favored 'General case' 0 C--O 1.219 -0.514 0 O-C-N 123.977 0.798 . . . . 0.0 111.163 -168.852 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -52.02 -45.35 64.57 Favored 'General case' 0 CA--C 1.534 0.351 0 CA-C-N 119.022 0.828 . . . . 0.0 112.957 179.401 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -71.91 -48.69 43.75 Favored 'General case' 0 CA--C 1.533 0.326 0 CA-C-O 122.052 0.93 . . . . 0.0 109.615 179.288 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 33' ' ' ILE . . . . . . . . . . . . . 5.8 mm -51.2 -36.79 17.06 Favored 'Isoleucine or valine' 0 CA--C 1.543 0.697 0 C-N-CA 124.569 1.148 . . . . 0.0 111.542 176.841 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 82.1 m-20 -72.03 -30.95 65.7 Favored 'General case' 0 C--N 1.329 -0.294 0 O-C-N 120.589 -1.319 . . . . 0.0 110.362 -179.619 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 84.8 mt-30 -67.77 -39.71 84.1 Favored 'General case' 0 N--CA 1.454 -0.236 0 O-C-N 121.688 -0.633 . . . . 0.0 109.306 169.474 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 23.0 mt -54.36 -49.25 65.7 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.353 0 CA-C-O 118.606 -0.711 . . . . 0.0 110.095 170.117 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 4.3 mm? -54.31 -48.04 71.76 Favored 'General case' 0 CA--C 1.536 0.408 0 CA-C-N 119.965 1.257 . . . . 0.0 109.896 173.751 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -47.78 -50.28 20.52 Favored Glycine 0 CA--C 1.53 1.016 0 C-N-CA 123.467 0.556 . . . . 0.0 111.871 175.538 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -60.9 -56.87 16.01 Favored 'General case' 0 N--CA 1.446 -0.668 0 O-C-N 121.553 -0.969 . . . . 0.0 110.544 175.221 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 69.2 mtt180 -59.72 -30.13 68.6 Favored 'General case' 0 C--O 1.23 0.065 0 C-N-CA 122.767 0.427 . . . . 0.0 111.348 -169.418 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 41' ' ' TRP . . . . . . . . . . . . . 57.9 t-105 -44.18 -41.83 6.03 Favored 'General case' 0 N--CA 1.453 -0.313 0 C-N-CA 122.868 0.467 . . . . 0.0 112.04 171.004 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 42' ' ' HIS . . . . . . . . . . . . . 66.6 m80 -60.08 -20.35 57.7 Favored 'General case' 0 CA--C 1.534 0.328 0 C-N-CA 123.693 0.797 . . . . 0.0 112.618 -176.121 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -79.54 -18.78 51.09 Favored 'General case' 0 CA--C 1.535 0.379 0 C-N-CA 122.872 0.469 . . . . 0.0 112.068 176.373 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 37.7 mt -67.77 124.57 23.68 Favored 'General case' 0 CA--C 1.531 0.23 0 CA-C-N 118.958 0.799 . . . . 0.0 110.439 -178.206 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 80.3 p -57.51 159.97 4.54 Favored 'General case' 0 CA--C 1.531 0.227 0 N-CA-C 109.894 -0.41 . . . . 0.0 109.894 169.489 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 59.8 ttp180 -43.77 -46.4 7.65 Favored 'General case' 0 CA--C 1.533 0.326 0 C-N-CA 123.721 0.808 . . . . 0.0 110.992 173.02 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 49.5 mp0 -66.14 -48.93 69.21 Favored 'General case' 0 N--CA 1.452 -0.343 0 C-N-CA 123.59 0.756 . . . . 0.0 111.073 -178.681 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 35.2 mt-10 -56.02 -44.81 79.08 Favored 'General case' 0 C--O 1.226 -0.162 0 C-N-CA 120.858 -0.337 . . . . 0.0 110.526 175.764 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 71.6 mt-30 -56.98 -56.13 25.77 Favored 'General case' 0 N--CA 1.454 -0.235 0 N-CA-C 109.519 -0.549 . . . . 0.0 109.519 175.202 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -48.18 -44.16 32.36 Favored 'General case' 0 C--O 1.235 0.305 0 C-N-CA 123.471 0.708 . . . . 0.0 111.761 179.874 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -45.88 -44.02 14.13 Favored 'General case' 0 CA--C 1.53 0.206 0 C-N-CA 123.089 0.556 . . . . 0.0 111.07 176.306 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 52' ' ' TYR . . . . . . . . . . . . . 44.5 m-85 -63.74 -35.0 79.13 Favored 'General case' 0 N--CA 1.451 -0.412 0 N-CA-C 112.712 0.634 . . . . 0.0 112.712 -178.68 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 53' ' ' TYR . . . . . . . . . . . . . 83.8 m-85 -73.07 -39.88 65.51 Favored 'General case' 0 N--CA 1.451 -0.419 0 N-CA-C 108.465 -0.939 . . . . 0.0 108.465 -177.643 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 16.4 mm-40 -55.9 -59.04 5.45 Favored 'General case' 0 CA--C 1.534 0.359 0 N-CA-C 109.865 -0.42 . . . . 0.0 109.865 169.814 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 5.1 mp -46.31 -53.73 10.26 Favored 'General case' 0 C--O 1.226 -0.171 0 C-N-CA 123.772 0.829 . . . . 0.0 112.786 174.908 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.532 0.285 0 N-CA-C 109.303 -0.629 . . . . 0.0 109.303 179.363 . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 3.3 p30 . . . . . 0 N--CA 1.45 -0.434 0 CA-C-O 121.319 0.581 . . . . 0.0 110.623 . . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -39.01 -62.26 0.65 Allowed 'General case' 0 N--CA 1.447 -0.585 0 C-N-CA 126.133 1.773 . . . . 0.0 113.109 -178.549 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 10' ' ' PHE . . . . . . . . . . . . . 5.5 m-85 -72.24 -25.63 61.7 Favored 'General case' 0 N--CA 1.453 -0.316 0 O-C-N 121.507 -0.746 . . . . 0.0 110.979 -171.007 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 11' ' ' MET . . . . . . . . . . . . . 61.5 mmm -66.82 -38.61 86.78 Favored 'General case' 0 CA--C 1.532 0.267 0 N-CA-C 109.135 -0.691 . . . . 0.0 109.135 176.772 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 68.3 mt -68.58 -45.09 72.96 Favored 'General case' 0 CA--C 1.522 -0.109 0 O-C-N 121.721 -0.612 . . . . 0.0 110.22 172.947 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 19.2 t80 -53.67 -46.06 70.5 Favored 'General case' 0 N--CA 1.465 0.288 0 N-CA-C 109.542 -0.54 . . . . 0.0 109.542 179.458 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 14' ' ' MET . . . . . . . . . . . . . 27.2 ttm -54.29 -64.59 0.78 Allowed 'General case' 0 N--CA 1.445 -0.683 0 C-N-CA 124.145 0.978 . . . . 0.0 110.117 170.189 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 18.1 mttt -44.22 -43.1 7.0 Favored 'General case' 0 CA--C 1.536 0.429 0 CA-C-N 119.775 1.171 . . . . 0.0 112.54 -177.587 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 47.7 mt-10 -72.16 -68.05 0.5 Allowed 'General case' 0 CA--C 1.537 0.478 0 C-N-CA 123.29 0.636 . . . . 0.0 112.043 178.481 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 17' ' ' MET . . . . . . . . . . . . . 15.4 mtp -81.49 -25.66 35.83 Favored 'General case' 0 N--CA 1.457 -0.109 0 N-CA-C 114.857 1.428 . . . . 0.0 114.857 -168.816 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 8.0 tmm_? -55.97 -41.81 75.31 Favored 'General case' 0 C--N 1.324 -0.509 0 CA-C-N 119.11 0.868 . . . . 0.0 111.201 -174.693 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -54.26 -47.94 71.73 Favored 'General case' 0 CA--C 1.532 0.264 0 O-C-N 122.019 -0.426 . . . . 0.0 110.662 172.022 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 20' ' ' ASN . . . . . . . . . . . . . 3.9 t30 -58.9 -50.86 72.44 Favored 'General case' 0 N--CA 1.453 -0.302 0 N-CA-C 109.739 -0.467 . . . . 0.0 109.739 176.423 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 78.3 t -50.2 -53.04 12.87 Favored 'Isoleucine or valine' 0 N--CA 1.46 0.037 0 CA-C-N 118.928 0.785 . . . . 0.0 110.472 177.617 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 55.5 t -59.02 -37.24 66.61 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.336 0 C-N-CA 122.718 0.407 . . . . 0.0 110.577 -178.888 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -66.23 -47.82 72.55 Favored 'General case' 0 CA--C 1.538 0.506 0 O-C-N 121.847 -0.533 . . . . 0.0 112.421 173.681 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 23.9 mt-10 -70.14 -52.44 23.54 Favored 'General case' 0 CA--C 1.53 0.186 0 O-C-N 121.805 -0.559 . . . . 0.0 111.45 -174.717 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 54.7 p -87.93 176.74 7.2 Favored 'General case' 0 N--CA 1.453 -0.322 0 C-N-CA 123.898 0.879 . . . . 0.0 111.077 -169.733 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 3.9 p -81.37 -12.91 58.84 Favored 'General case' 0 N--CA 1.447 -0.604 0 C-N-CA 123.797 0.839 . . . . 0.0 111.13 169.77 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 4.1 mm? -81.79 155.82 25.24 Favored 'General case' 0 N--CA 1.447 -0.616 0 CA-C-N 119.16 0.891 . . . . 0.0 113.17 -169.957 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 1.9 mptp? -141.22 -33.98 0.5 Allowed 'General case' 0 N--CA 1.454 -0.239 0 C-N-CA 125.784 1.634 . . . . 0.0 110.805 168.557 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 2.7 mp0 -52.89 110.6 0.54 Allowed 'General case' 0 N--CA 1.45 -0.47 0 C-N-CA 125.163 1.385 . . . . 0.0 108.067 -172.489 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 12.6 t -49.71 -50.67 43.1 Favored 'General case' 0 C--O 1.22 -0.486 0 O-C-N 123.601 0.563 . . . . 0.0 111.984 -168.38 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -55.18 -40.29 70.54 Favored 'General case' 0 CA--C 1.535 0.389 0 O-C-N 120.988 -1.07 . . . . 0.0 113.202 -178.946 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -69.17 -50.04 51.22 Favored 'General case' 0 CA--C 1.53 0.179 0 O-C-N 121.326 -0.859 . . . . 0.0 109.327 176.088 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 33' ' ' ILE . . . . . . . . . . . . . 8.7 mm -53.1 -34.24 21.07 Favored 'Isoleucine or valine' 0 CA--C 1.543 0.704 0 C-N-CA 125.083 1.353 . . . . 0.0 112.094 177.667 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 82.1 m-20 -76.92 -35.63 57.2 Favored 'General case' 0 C--N 1.33 -0.243 0 C-N-CA 124.586 1.154 . . . . 0.0 109.768 -178.167 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 37.9 mt-30 -66.54 -41.0 89.38 Favored 'General case' 0 CA--C 1.535 0.371 0 O-C-N 121.841 -0.537 . . . . 0.0 110.127 169.645 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 15.3 mt -51.0 -55.02 8.35 Favored 'Isoleucine or valine' 0 CA--C 1.531 0.24 0 N-CA-C 109.002 -0.74 . . . . 0.0 109.002 169.885 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 11.8 mt -56.3 -40.99 75.23 Favored 'General case' 0 CA--C 1.533 0.32 0 CA-C-N 118.804 0.729 . . . . 0.0 111.492 177.877 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -49.14 -51.8 24.45 Favored Glycine 0 CA--C 1.531 1.084 0 N-CA-C 111.183 -0.767 . . . . 0.0 111.183 171.374 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -58.75 -55.0 40.78 Favored 'General case' 0 N--CA 1.447 -0.601 0 O-C-N 121.559 -0.965 . . . . 0.0 110.497 173.304 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 31.0 mtp180 -63.74 -22.72 67.05 Favored 'General case' 0 C--N 1.334 -0.077 0 O-C-N 121.606 -0.684 . . . . 0.0 111.413 -169.607 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 41' ' ' TRP . . . . . . . . . . . . . 63.8 t-105 -50.3 -39.18 44.79 Favored 'General case' 0 N--CA 1.452 -0.344 0 O-C-N 121.607 -0.683 . . . . 0.0 111.259 170.271 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 42' ' ' HIS . . . . . . . . . . . . . 61.3 m80 -61.38 -17.63 54.97 Favored 'General case' 0 CA--C 1.532 0.285 0 C-N-CA 123.522 0.729 . . . . 0.0 112.467 -176.379 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -79.02 -18.95 52.68 Favored 'General case' 0 CA--C 1.534 0.365 0 CA-C-N 118.116 0.417 . . . . 0.0 111.78 176.063 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 22.4 mt -70.82 125.36 26.63 Favored 'General case' 0 CA--C 1.53 0.186 0 CA-C-N 118.803 0.729 . . . . 0.0 110.927 -177.445 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 83.7 p -58.34 160.82 4.85 Favored 'General case' 0 CA--C 1.533 0.3 0 N-CA-C 109.478 -0.564 . . . . 0.0 109.478 169.094 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 83.2 mtt85 -49.79 -40.58 42.05 Favored 'General case' 0 CA--C 1.534 0.341 0 O-C-N 122.022 -0.424 . . . . 0.0 111.026 176.45 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 2.4 mp0 -64.19 -52.24 59.87 Favored 'General case' 0 N--CA 1.453 -0.303 0 C-N-CA 123.935 0.894 . . . . 0.0 110.985 178.37 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 34.4 mt-10 -56.15 -43.82 78.65 Favored 'General case' 0 C--O 1.225 -0.206 0 CA-C-O 119.576 -0.249 . . . . 0.0 110.534 177.099 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 74.2 mt-30 -56.68 -59.0 5.67 Favored 'General case' 0 N--CA 1.453 -0.277 0 N-CA-C 109.23 -0.656 . . . . 0.0 109.23 174.316 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -47.18 -43.31 21.1 Favored 'General case' 0 CA--C 1.531 0.248 0 C-N-CA 124.0 0.92 . . . . 0.0 112.16 -178.182 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 12.9 pttt -47.12 -41.35 17.32 Favored 'General case' 0 CA--C 1.534 0.36 0 C-N-CA 122.684 0.394 . . . . 0.0 111.527 177.757 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 52' ' ' TYR . . . . . . . . . . . . . 46.6 m-85 -63.59 -33.9 76.62 Favored 'General case' 0 CA--C 1.517 -0.294 0 N-CA-C 112.768 0.655 . . . . 0.0 112.768 -179.36 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 53' ' ' TYR . . . . . . . . . . . . . 41.5 m-85 -72.53 -38.94 67.9 Favored 'General case' 0 N--CA 1.451 -0.394 0 N-CA-C 107.701 -1.222 . . . . 0.0 107.701 -176.452 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 43.9 mm-40 -58.51 -62.06 2.13 Favored 'General case' 0 CA--C 1.533 0.294 0 N-CA-C 109.681 -0.488 . . . . 0.0 109.681 169.705 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 5.2 mp -46.11 -51.25 14.28 Favored 'General case' 0 C--O 1.226 -0.177 0 C-N-CA 124.112 0.965 . . . . 0.0 113.349 177.801 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.289 0 C-N-CA 122.608 0.363 . . . . 0.0 110.022 177.308 . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 6.5 p30 . . . . . 0 N--CA 1.444 -0.773 0 CA-C-O 122.367 1.079 . . . . 0.0 111.825 . . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -38.89 -64.43 0.45 Allowed 'General case' 0 N--CA 1.446 -0.674 0 C-N-CA 126.859 2.064 . . . . 0.0 113.94 179.601 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 10' ' ' PHE . . . . . . . . . . . . . 5.8 m-85 -70.65 -25.96 63.24 Favored 'General case' 0 N--CA 1.456 -0.174 0 O-C-N 121.354 -0.841 . . . . 0.0 111.781 -169.324 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 11' ' ' MET . . . . . . . . . . . . . 69.3 mmm -63.69 -38.09 89.81 Favored 'General case' 0 CA--C 1.535 0.368 0 N-CA-C 109.082 -0.71 . . . . 0.0 109.082 176.503 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 51.7 mt -72.82 -44.24 61.69 Favored 'General case' 0 CA--C 1.52 -0.191 0 O-C-N 121.914 -0.491 . . . . 0.0 110.023 175.441 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 22.3 t80 -53.78 -47.71 70.49 Favored 'General case' 0 N--CA 1.465 0.286 0 N-CA-C 109.331 -0.618 . . . . 0.0 109.331 179.233 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 14' ' ' MET . . . . . . . . . . . . . 8.5 ttm -52.02 -66.43 0.39 Allowed 'General case' 0 N--CA 1.443 -0.804 0 C-N-CA 124.403 1.081 . . . . 0.0 109.619 169.904 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 16.1 mmtt -43.17 -44.93 5.34 Favored 'General case' 0 CA--C 1.537 0.443 0 CA-C-N 119.937 1.244 . . . . 0.0 112.657 -177.078 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 46.3 mt-10 -70.22 -66.51 0.59 Allowed 'General case' 0 CA--C 1.537 0.451 0 C-N-CA 123.137 0.575 . . . . 0.0 112.085 179.258 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 17' ' ' MET . . . . . . . . . . . . . 12.3 mtp -79.87 -27.55 40.06 Favored 'General case' 0 C--O 1.228 -0.077 0 N-CA-C 114.322 1.23 . . . . 0.0 114.322 -169.064 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 3.0 tmm_? -58.09 -36.05 72.3 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 121.432 -0.792 . . . . 0.0 111.449 -173.16 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -55.0 -49.41 71.58 Favored 'General case' 0 CA--C 1.533 0.324 0 O-C-N 121.733 -0.604 . . . . 0.0 110.582 170.283 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 20' ' ' ASN . . . . . . . . . . . . . 33.7 t30 -61.47 -46.39 90.26 Favored 'General case' 0 C--O 1.223 -0.327 0 N-CA-C 110.029 -0.36 . . . . 0.0 110.029 178.001 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 70.1 t -51.26 -54.24 12.11 Favored 'Isoleucine or valine' 0 CA--C 1.528 0.111 0 CA-C-N 118.493 0.588 . . . . 0.0 110.416 174.565 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 45.5 t -62.69 -36.33 74.74 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.385 0 C-N-CA 122.861 0.465 . . . . 0.0 110.473 -175.226 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -66.18 -47.26 74.53 Favored 'General case' 0 CA--C 1.536 0.409 0 O-C-N 122.016 -0.428 . . . . 0.0 111.822 174.114 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 9.9 mm-40 -70.29 -55.24 9.69 Favored 'General case' 0 CA--C 1.529 0.169 0 C-N-CA 124.578 1.151 . . . . 0.0 111.303 -174.006 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 54.3 p -83.63 171.72 13.0 Favored 'General case' 0 N--CA 1.452 -0.354 0 C-N-CA 123.996 0.918 . . . . 0.0 110.324 -172.913 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 8.6 p -78.8 -15.26 58.62 Favored 'General case' 0 N--CA 1.448 -0.562 0 C-N-CA 123.155 0.582 . . . . 0.0 111.435 170.848 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -84.4 156.97 21.57 Favored 'General case' 0 N--CA 1.449 -0.521 0 CA-C-O 122.025 0.917 . . . . 0.0 112.886 -169.453 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 1.5 mptp? -138.71 -40.23 0.5 Allowed 'General case' 0 N--CA 1.453 -0.319 0 C-N-CA 125.623 1.569 . . . . 0.0 109.846 172.613 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 2.8 mp0 -38.98 101.07 0.02 OUTLIER 'General case' 0 C--O 1.236 0.362 0 C-N-CA 127.222 2.209 . . . . 0.0 109.701 -177.173 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 7.7 t -50.48 -41.85 53.7 Favored 'General case' 0 N--CA 1.451 -0.383 0 N-CA-C 113.473 0.916 . . . . 0.0 113.473 -168.123 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -64.14 -33.88 76.78 Favored 'General case' 0 CA--C 1.535 0.4 0 CA-C-N 119.474 1.034 . . . . 0.0 112.865 -179.668 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -74.29 -48.61 27.38 Favored 'General case' 0 CA--C 1.529 0.157 0 O-C-N 121.292 -0.88 . . . . 0.0 109.155 174.812 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 33' ' ' ILE . . . . . . . . . . . . . 5.6 mm -54.02 -38.2 36.89 Favored 'Isoleucine or valine' 0 CA--C 1.544 0.739 0 C-N-CA 124.421 1.089 . . . . 0.0 111.516 178.441 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 4.6 m-80 -55.67 -43.55 76.46 Favored 'General case' 0 N--CA 1.463 0.191 0 O-C-N 121.121 -0.987 . . . . 0.0 111.939 171.23 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 41.8 mt-30 -69.27 -38.74 78.54 Favored 'General case' 0 N--CA 1.454 -0.235 0 O-C-N 121.741 -0.6 . . . . 0.0 110.127 178.855 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 23.3 mt -52.52 -50.62 39.0 Favored 'Isoleucine or valine' 0 C--N 1.342 0.247 0 N-CA-C 109.344 -0.613 . . . . 0.0 109.344 169.653 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 11.0 mt -60.31 -40.98 92.47 Favored 'General case' 0 CA--C 1.533 0.312 0 O-C-N 121.683 -0.635 . . . . 0.0 110.773 179.304 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -48.76 -52.36 20.87 Favored Glycine 0 CA--C 1.53 0.984 0 N-CA-C 111.114 -0.794 . . . . 0.0 111.114 170.288 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -57.27 -54.95 41.03 Favored 'General case' 0 N--CA 1.448 -0.572 0 O-C-N 121.511 -0.994 . . . . 0.0 110.456 173.217 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 91.7 mtt180 -62.02 -24.31 66.98 Favored 'General case' 0 C--O 1.23 0.074 0 O-C-N 121.763 -0.585 . . . . 0.0 111.329 -169.932 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 41' ' ' TRP . . . . . . . . . . . . . 64.7 t-105 -49.48 -39.64 34.44 Favored 'General case' 0 N--CA 1.453 -0.315 0 CA-C-N 118.712 0.687 . . . . 0.0 111.472 171.385 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 42' ' ' HIS . . . . . . . . . . . . . 65.9 m80 -61.5 -17.98 57.07 Favored 'General case' 0 N--CA 1.453 -0.296 0 C-N-CA 123.753 0.821 . . . . 0.0 112.563 -176.096 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -79.31 -18.61 52.28 Favored 'General case' 0 CA--C 1.535 0.377 0 CA-C-N 118.032 0.378 . . . . 0.0 111.909 176.1 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 21.5 mt -71.55 126.27 29.22 Favored 'General case' 0 CA--C 1.53 0.195 0 CA-C-N 118.805 0.73 . . . . 0.0 111.219 -175.943 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 81.6 p -58.29 161.22 4.47 Favored 'General case' 0 CA--C 1.531 0.244 0 N-CA-C 109.742 -0.466 . . . . 0.0 109.742 169.19 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 3.1 tmt_? -46.48 -47.29 19.29 Favored 'General case' 0 CA--C 1.534 0.339 0 C-N-CA 123.251 0.621 . . . . 0.0 109.977 174.438 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 2.7 mp0 -60.78 -52.69 64.02 Favored 'General case' 0 N--CA 1.453 -0.284 0 C-N-CA 123.87 0.868 . . . . 0.0 111.413 179.359 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 33.6 mt-10 -55.94 -43.44 77.42 Favored 'General case' 0 C--O 1.226 -0.16 0 CA-C-O 119.718 -0.182 . . . . 0.0 110.841 177.83 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 74.2 mt-30 -57.42 -58.85 6.44 Favored 'General case' 0 N--CA 1.454 -0.229 0 N-CA-C 109.13 -0.692 . . . . 0.0 109.13 174.857 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -48.49 -42.13 31.91 Favored 'General case' 0 C--O 1.234 0.284 0 C-N-CA 123.824 0.85 . . . . 0.0 112.203 -178.229 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 10.5 pttt -47.24 -40.36 16.28 Favored 'General case' 0 CA--C 1.533 0.289 0 C-N-CA 122.83 0.452 . . . . 0.0 111.406 177.026 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 52' ' ' TYR . . . . . . . . . . . . . 38.6 m-85 -64.32 -33.61 76.25 Favored 'General case' 0 CA--C 1.517 -0.322 0 O-C-N 121.396 -0.815 . . . . 0.0 113.152 -179.477 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 53' ' ' TYR . . . . . . . . . . . . . 31.4 m-85 -73.35 -40.16 64.64 Favored 'General case' 0 N--CA 1.451 -0.405 0 N-CA-C 107.151 -1.425 . . . . 0.0 107.151 -176.465 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 44.3 mt-10 -56.47 -60.46 3.49 Favored 'General case' 0 CA--C 1.535 0.393 0 CA-C-N 115.898 -0.592 . . . . 0.0 109.749 169.696 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 5.8 mp -46.95 -51.04 17.92 Favored 'General case' 0 C--O 1.226 -0.152 0 C-N-CA 124.531 1.132 . . . . 0.0 113.571 175.716 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.233 0.218 0 N-CA-C 109.017 -0.735 . . . . 0.0 109.017 177.567 . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 4.2 p30 . . . . . 0 N--CA 1.444 -0.728 0 CA-C-O 122.415 1.102 . . . . 0.0 110.88 . . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -38.75 -58.22 1.1 Allowed 'General case' 0 N--CA 1.444 -0.728 0 C-N-CA 126.295 1.838 . . . . 0.0 113.307 -178.729 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 10' ' ' PHE . . . . . . . . . . . . . 5.2 m-85 -71.33 -27.16 63.18 Favored 'General case' 0 N--CA 1.451 -0.394 0 O-C-N 121.53 -0.731 . . . . 0.0 111.055 -170.839 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 11' ' ' MET . . . . . . . . . . . . . 64.6 mmm -68.19 -43.52 77.93 Favored 'General case' 0 N--CA 1.453 -0.309 0 N-CA-C 108.387 -0.968 . . . . 0.0 108.387 178.705 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 67.3 mt -63.09 -44.79 94.76 Favored 'General case' 0 C--N 1.332 -0.18 0 O-C-N 121.482 -0.761 . . . . 0.0 110.16 173.747 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 33.8 t80 -52.79 -46.8 67.77 Favored 'General case' 0 C--O 1.232 0.16 0 N-CA-C 109.724 -0.473 . . . . 0.0 109.724 178.935 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 14' ' ' MET . . . . . . . . . . . . . 28.8 ttm -52.95 -63.64 1.08 Allowed 'General case' 0 N--CA 1.448 -0.556 0 C-N-CA 123.743 0.817 . . . . 0.0 110.124 171.575 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 4.1 mtpm? -48.31 -42.67 31.68 Favored 'General case' 0 CA--C 1.535 0.4 0 CA-C-N 119.096 0.862 . . . . 0.0 111.921 -176.155 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 48.9 mt-10 -70.43 -69.86 0.33 Allowed 'General case' 0 CA--C 1.536 0.434 0 C-N-CA 123.139 0.576 . . . . 0.0 112.025 179.957 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 17' ' ' MET . . . . . . . . . . . . . 13.4 mtp -79.91 -22.32 42.89 Favored 'General case' 0 C--O 1.23 0.077 0 N-CA-C 114.448 1.277 . . . . 0.0 114.448 -169.465 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 21.2 ttp85 -57.23 -38.32 73.61 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 119.163 0.892 . . . . 0.0 112.185 -171.585 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -52.4 -46.92 66.48 Favored 'General case' 0 CA--C 1.533 0.308 0 O-C-N 121.369 -0.832 . . . . 0.0 110.688 173.271 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 20' ' ' ASN . . . . . . . . . . . . . 12.4 t30 -62.34 -49.88 73.83 Favored 'General case' 0 N--CA 1.451 -0.382 0 N-CA-C 109.732 -0.47 . . . . 0.0 109.732 177.308 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 43.8 t -49.0 -54.6 5.01 Favored 'Isoleucine or valine' 0 N--CA 1.461 0.099 0 CA-C-N 117.962 0.346 . . . . 0.0 110.918 176.177 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 43.1 t -56.3 -49.66 75.49 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.469 0 N-CA-C 108.085 -1.08 . . . . 0.0 108.085 -175.809 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -53.83 -52.76 59.34 Favored 'General case' 0 CA--C 1.537 0.467 0 N-CA-C 112.175 0.435 . . . . 0.0 112.175 175.159 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 41.1 mt-10 -62.03 -54.92 34.74 Favored 'General case' 0 CA--C 1.532 0.268 0 CA-C-O 121.434 0.635 . . . . 0.0 111.933 -177.013 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 87.3 p -79.71 -25.1 41.27 Favored 'General case' 0 CA--C 1.514 -0.412 0 N-CA-C 115.416 1.636 . . . . 0.0 115.416 -167.963 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 17.6 p 64.71 6.63 3.36 Favored 'General case' 0 C--N 1.32 -0.714 0 C-N-CA 127.03 2.132 . . . . 0.0 112.226 -168.814 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -79.43 159.13 27.16 Favored 'General case' 0 C--N 1.343 0.323 0 CA-C-N 118.668 0.667 . . . . 0.0 109.618 169.117 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 8.3 mptt -132.8 -44.44 0.88 Allowed 'General case' 0 N--CA 1.448 -0.526 0 C-N-CA 124.223 1.009 . . . . 0.0 109.294 176.411 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 2.7 mp0 -38.95 102.32 0.02 OUTLIER 'General case' 0 N--CA 1.452 -0.337 0 C-N-CA 127.584 2.354 . . . . 0.0 109.285 -174.728 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 9.3 t -52.62 -38.26 59.89 Favored 'General case' 0 N--CA 1.449 -0.518 0 N-CA-C 113.179 0.807 . . . . 0.0 113.179 -168.042 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -63.45 -37.73 88.41 Favored 'General case' 0 CA--C 1.535 0.375 0 CA-C-N 119.603 1.092 . . . . 0.0 112.504 178.939 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -69.43 -49.21 57.26 Favored 'General case' 0 N--CA 1.462 0.174 0 CA-C-O 122.447 1.118 . . . . 0.0 109.021 175.444 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 33' ' ' ILE . . . . . . . . . . . . . 4.6 mm -59.63 -35.72 61.16 Favored 'Isoleucine or valine' 0 CA--C 1.542 0.66 0 C-N-CA 124.725 1.21 . . . . 0.0 111.543 -177.356 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 3.8 m-80 -58.24 -45.91 86.92 Favored 'General case' 0 N--CA 1.462 0.141 0 C-N-CA 124.283 1.033 . . . . 0.0 111.351 169.816 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 40.1 mt-30 -66.22 -40.63 90.42 Favored 'General case' 0 N--CA 1.454 -0.245 0 O-C-N 121.874 -0.516 . . . . 0.0 110.441 178.142 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 45.1 mt -51.21 -54.64 10.35 Favored 'Isoleucine or valine' 0 C--N 1.341 0.217 0 N-CA-C 109.627 -0.509 . . . . 0.0 109.627 170.605 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 16.2 mt -55.72 -44.58 77.63 Favored 'General case' 0 CA--C 1.534 0.361 0 CA-C-N 118.574 0.624 . . . . 0.0 111.433 176.601 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -49.65 -48.71 35.48 Favored Glycine 0 CA--C 1.529 0.939 0 N-CA-C 111.232 -0.747 . . . . 0.0 111.232 176.08 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -60.17 -62.66 1.71 Allowed 'General case' 0 N--CA 1.448 -0.549 0 O-C-N 122.217 -0.578 . . . . 0.0 110.272 172.28 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 51.1 mtt180 -54.72 -32.45 59.68 Favored 'General case' 0 C--N 1.338 0.091 0 C-N-CA 123.716 0.806 . . . . 0.0 112.893 -169.397 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 41' ' ' TRP . . . . . . . . . . . . . 55.8 t-105 -40.59 -43.37 1.88 Allowed 'General case' 0 CA--C 1.531 0.236 0 C-N-CA 123.382 0.673 . . . . 0.0 112.247 172.803 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 42' ' ' HIS . . . . . . . . . . . . . 75.6 m80 -59.1 -19.88 48.44 Favored 'General case' 0 CA--C 1.533 0.323 0 N-CA-C 112.873 0.694 . . . . 0.0 112.873 -174.713 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -79.1 -19.24 51.69 Favored 'General case' 0 CA--C 1.534 0.343 0 C-N-CA 123.071 0.548 . . . . 0.0 111.9 177.299 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 40.3 mt -62.87 128.54 36.36 Favored 'General case' 0 C--O 1.234 0.265 0 CA-C-N 118.943 0.792 . . . . 0.0 109.993 178.75 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 80.2 p -58.69 155.4 12.73 Favored 'General case' 0 N--CA 1.453 -0.277 0 N-CA-C 108.95 -0.759 . . . . 0.0 108.95 169.811 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -50.53 -35.68 30.67 Favored 'General case' 0 CA--C 1.534 0.33 0 O-C-N 121.731 -0.606 . . . . 0.0 110.957 175.45 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 50.1 mp0 -67.37 -50.05 61.39 Favored 'General case' 0 N--CA 1.452 -0.343 0 C-N-CA 123.563 0.745 . . . . 0.0 110.882 176.262 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 43.4 mt-10 -56.19 -43.91 78.92 Favored 'General case' 0 CA--C 1.531 0.22 0 O-C-N 122.007 -0.433 . . . . 0.0 110.581 175.189 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 71.8 mt-30 -56.78 -55.37 35.16 Favored 'General case' 0 N--CA 1.454 -0.231 0 N-CA-C 109.323 -0.621 . . . . 0.0 109.323 174.992 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -48.41 -44.75 35.26 Favored 'General case' 0 CA--C 1.534 0.355 0 C-N-CA 123.006 0.522 . . . . 0.0 111.66 178.778 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 5.5 pttt -45.28 -44.82 11.66 Favored 'General case' 0 CA--C 1.53 0.204 0 C-N-CA 123.435 0.694 . . . . 0.0 111.164 174.871 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 52' ' ' TYR . . . . . . . . . . . . . 40.0 m-85 -64.2 -34.81 78.94 Favored 'General case' 0 CA--C 1.514 -0.416 0 N-CA-C 112.832 0.678 . . . . 0.0 112.832 -179.028 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 53' ' ' TYR . . . . . . . . . . . . . 78.4 m-85 -74.19 -39.41 63.19 Favored 'General case' 0 N--CA 1.452 -0.361 0 N-CA-C 108.802 -0.814 . . . . 0.0 108.802 -177.999 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 42.4 mt-10 -54.76 -60.66 3.06 Favored 'General case' 0 CA--C 1.536 0.435 0 N-CA-C 109.416 -0.587 . . . . 0.0 109.416 169.62 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 5.6 mp -47.71 -50.86 23.93 Favored 'General case' 0 C--O 1.225 -0.208 0 C-N-CA 124.108 0.963 . . . . 0.0 113.399 175.405 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.531 0.236 0 N-CA-C 109.645 -0.502 . . . . 0.0 109.645 178.48 . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 5.9 p30 . . . . . 0 N--CA 1.446 -0.673 0 CA-C-O 122.287 1.042 . . . . 0.0 111.825 . . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -38.55 -62.9 0.55 Allowed 'General case' 0 N--CA 1.447 -0.58 0 C-N-CA 126.714 2.006 . . . . 0.0 113.408 179.644 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 10' ' ' PHE . . . . . . . . . . . . . 5.4 m-85 -71.34 -25.88 62.58 Favored 'General case' 0 N--CA 1.453 -0.284 0 O-C-N 121.456 -0.777 . . . . 0.0 111.155 -170.554 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 11' ' ' MET . . . . . . . . . . . . . 65.2 mmm -67.74 -41.3 83.6 Favored 'General case' 0 N--CA 1.454 -0.267 0 N-CA-C 108.755 -0.832 . . . . 0.0 108.755 177.231 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 59.7 mt -64.73 -44.43 90.19 Favored 'General case' 0 C--O 1.231 0.091 0 O-C-N 121.661 -0.649 . . . . 0.0 110.062 173.107 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 27.3 t80 -52.43 -46.04 66.22 Favored 'General case' 0 N--CA 1.462 0.174 0 N-CA-C 109.353 -0.61 . . . . 0.0 109.353 178.158 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 14' ' ' MET . . . . . . . . . . . . . 30.2 ttm -55.51 -63.96 1.0 Allowed 'General case' 0 N--CA 1.445 -0.723 0 CA-C-O 118.459 -0.781 . . . . 0.0 110.31 171.816 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 1.5 mtpm? -48.3 -42.1 30.02 Favored 'General case' 0 CA--C 1.534 0.342 0 CA-C-N 120.015 1.28 . . . . 0.0 112.191 -175.539 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 49.3 mt-10 -70.03 -66.75 0.55 Allowed 'General case' 0 CA--C 1.535 0.392 0 C-N-CA 123.169 0.588 . . . . 0.0 111.947 179.225 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 17' ' ' MET . . . . . . . . . . . . . 14.5 mtp -86.42 -23.83 25.92 Favored 'General case' 0 C--O 1.226 -0.171 0 N-CA-C 114.92 1.452 . . . . 0.0 114.92 -168.849 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 18' ' ' ARG . . . . . 0.4 ' HG2' ' CG2' ' A' ' 33' ' ' ILE . 7.6 tmm_? -55.45 -42.26 74.0 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-N 119.608 1.095 . . . . 0.0 111.362 -175.851 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -53.88 -46.68 71.4 Favored 'General case' 0 CA--C 1.533 0.324 0 O-C-N 122.026 -0.421 . . . . 0.0 110.634 172.045 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 20' ' ' ASN . . . . . . . . . . . . . 9.9 t30 -61.99 -47.36 85.18 Favored 'General case' 0 C--O 1.222 -0.389 0 N-CA-C 109.905 -0.406 . . . . 0.0 109.905 177.904 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 73.8 t -51.55 -53.55 15.89 Favored 'Isoleucine or valine' 0 N--CA 1.46 0.055 0 CA-C-N 118.856 0.753 . . . . 0.0 110.499 175.539 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 55.0 t -59.01 -37.28 66.75 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.369 0 C-N-CA 122.679 0.392 . . . . 0.0 110.412 -178.735 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -65.51 -47.55 75.58 Favored 'General case' 0 CA--C 1.539 0.523 0 O-C-N 121.806 -0.559 . . . . 0.0 112.367 173.528 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 85.3 mt-10 -67.82 -55.72 11.9 Favored 'General case' 0 CA--C 1.53 0.199 0 CA-C-O 121.415 0.626 . . . . 0.0 111.465 -176.166 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 53.5 p -86.98 176.61 7.56 Favored 'General case' 0 N--CA 1.449 -0.503 0 C-N-CA 124.56 1.144 . . . . 0.0 111.582 -168.881 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 4.3 p -82.75 -10.4 58.91 Favored 'General case' 0 N--CA 1.445 -0.676 0 C-N-CA 123.784 0.834 . . . . 0.0 110.716 169.552 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 4.1 mm? -80.91 157.19 25.68 Favored 'General case' 0 N--CA 1.446 -0.642 0 CA-C-O 122.213 1.006 . . . . 0.0 112.784 -171.036 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 2.0 mptp? -144.77 -33.75 0.37 Allowed 'General case' 0 N--CA 1.454 -0.267 0 CA-C-N 113.162 -1.835 . . . . 0.0 110.973 169.465 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 42.3 mt-10 -53.95 113.75 1.34 Allowed 'General case' 0 C--N 1.343 0.287 0 N-CA-C 108.287 -1.005 . . . . 0.0 108.287 -172.346 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 18.1 t -52.79 -46.28 67.54 Favored 'General case' 0 N--CA 1.45 -0.441 0 O-C-N 123.577 0.548 . . . . 0.0 110.966 -169.098 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -56.26 -38.53 71.28 Favored 'General case' 0 CA--C 1.533 0.32 0 O-C-N 121.088 -1.007 . . . . 0.0 113.588 179.731 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -72.97 -50.61 22.29 Favored 'General case' 0 CA--C 1.528 0.113 0 O-C-N 121.397 -0.814 . . . . 0.0 109.207 176.429 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 33' ' ' ILE . . . . . 0.4 ' CG2' ' HG2' ' A' ' 18' ' ' ARG . 8.5 mm -52.29 -35.07 19.13 Favored 'Isoleucine or valine' 0 CA--C 1.543 0.692 0 C-N-CA 125.36 1.464 . . . . 0.0 112.078 178.541 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 81.9 m-20 -75.94 -33.6 59.83 Favored 'General case' 0 C--N 1.332 -0.177 0 C-N-CA 124.445 1.098 . . . . 0.0 110.123 -178.86 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 40.7 mt-30 -69.15 -40.71 78.03 Favored 'General case' 0 CA--C 1.532 0.272 0 O-C-N 121.898 -0.501 . . . . 0.0 109.986 169.793 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 17.5 mt -50.88 -53.42 13.89 Favored 'Isoleucine or valine' 0 C--N 1.342 0.26 0 N-CA-C 108.892 -0.781 . . . . 0.0 108.892 169.964 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 14.2 mt -57.45 -44.13 84.51 Favored 'General case' 0 CA--C 1.535 0.375 0 O-C-N 121.408 -0.807 . . . . 0.0 111.187 177.3 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -46.57 -48.44 17.05 Favored Glycine 0 CA--C 1.532 1.119 0 N-CA-C 111.535 -0.626 . . . . 0.0 111.535 172.172 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 3.7 tmm_? -62.88 -58.96 5.58 Favored 'General case' 0 N--CA 1.446 -0.669 0 O-C-N 121.945 -0.738 . . . . 0.0 110.912 173.371 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 19.5 mtp180 -58.64 -28.95 66.15 Favored 'General case' 0 N--CA 1.461 0.077 0 C-N-CA 123.678 0.791 . . . . 0.0 112.2 -168.923 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 41' ' ' TRP . . . . . . . . . . . . . 63.8 t-105 -41.97 -42.82 2.92 Favored 'General case' 0 N--CA 1.451 -0.384 0 C-N-CA 123.265 0.626 . . . . 0.0 112.222 169.682 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 42' ' ' HIS . . . . . . . . . . . . . 73.4 m80 -59.16 -20.92 58.0 Favored 'General case' 0 CA--C 1.533 0.327 0 C-N-CA 124.083 0.953 . . . . 0.0 112.817 -176.358 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -79.12 -18.76 52.64 Favored 'General case' 0 CA--C 1.533 0.293 0 CA-C-N 118.247 0.476 . . . . 0.0 111.62 177.227 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 34.2 mt -67.15 125.95 27.66 Favored 'General case' 0 N--CA 1.454 -0.254 0 CA-C-N 118.725 0.693 . . . . 0.0 110.022 178.926 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 79.6 p -57.69 159.84 4.89 Favored 'General case' 0 CA--C 1.531 0.24 0 N-CA-C 109.4 -0.593 . . . . 0.0 109.4 169.203 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 4.1 mmp_? -49.13 -38.86 26.44 Favored 'General case' 0 CA--C 1.531 0.246 0 O-C-N 122.019 -0.425 . . . . 0.0 111.589 175.695 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 51.7 mp0 -67.57 -50.7 57.2 Favored 'General case' 0 N--CA 1.45 -0.428 0 C-N-CA 123.652 0.781 . . . . 0.0 110.821 178.717 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 33.7 mt-10 -55.67 -43.64 76.52 Favored 'General case' 0 C--O 1.226 -0.174 0 O-C-N 122.268 -0.27 . . . . 0.0 110.607 175.602 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 69.6 mt-30 -57.05 -58.94 5.96 Favored 'General case' 0 N--CA 1.454 -0.25 0 N-CA-C 109.088 -0.708 . . . . 0.0 109.088 174.567 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -47.32 -43.01 22.4 Favored 'General case' 0 C--O 1.235 0.297 0 C-N-CA 123.8 0.84 . . . . 0.0 112.111 -178.91 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -46.54 -42.17 15.37 Favored 'General case' 0 CA--C 1.533 0.289 0 C-N-CA 122.904 0.482 . . . . 0.0 111.276 176.974 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 52' ' ' TYR . . . . . . . . . . . . . 44.1 m-85 -63.66 -35.49 80.7 Favored 'General case' 0 N--CA 1.453 -0.306 0 N-CA-C 112.949 0.722 . . . . 0.0 112.949 -179.217 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 53' ' ' TYR . . . . . . . . . . . . . 40.1 m-85 -71.46 -40.0 70.58 Favored 'General case' 0 N--CA 1.452 -0.338 0 N-CA-C 107.547 -1.279 . . . . 0.0 107.547 -176.488 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 79.3 mm-40 -57.61 -60.97 2.86 Favored 'General case' 0 CA--C 1.533 0.299 0 N-CA-C 109.905 -0.406 . . . . 0.0 109.905 169.536 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 6.1 mp -45.48 -50.16 12.95 Favored 'General case' 0 C--O 1.224 -0.257 0 C-N-CA 124.401 1.08 . . . . 0.0 113.38 177.211 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.536 0.41 0 CA-C-O 121.227 0.537 . . . . 0.0 109.852 177.504 . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 5.7 p30 . . . . . 0 N--CA 1.446 -0.66 0 CA-C-O 122.089 0.947 . . . . 0.0 112.023 . . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -38.89 -63.34 0.53 Allowed 'General case' 0 N--CA 1.449 -0.484 0 C-N-CA 126.956 2.102 . . . . 0.0 113.712 178.57 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 10' ' ' PHE . . . . . . . . . . . . . 5.3 m-85 -71.69 -22.6 61.63 Favored 'General case' 0 N--CA 1.451 -0.378 0 O-C-N 121.361 -0.837 . . . . 0.0 111.538 -169.651 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 11' ' ' MET . . . . . . . . . . . . . 54.5 mmm -66.55 -45.23 80.06 Favored 'General case' 0 N--CA 1.455 -0.195 0 N-CA-C 108.44 -0.948 . . . . 0.0 108.44 176.693 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 11.0 mt -61.43 -47.23 86.68 Favored 'General case' 0 CA--C 1.531 0.212 0 N-CA-C 109.382 -0.599 . . . . 0.0 109.382 174.859 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 45.5 t80 -52.4 -49.42 64.51 Favored 'General case' 0 N--CA 1.467 0.4 0 N-CA-C 109.939 -0.393 . . . . 0.0 109.939 179.871 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 14' ' ' MET . . . . . . . . . . . . . 18.4 ttm -53.16 -60.53 3.17 Favored 'General case' 0 N--CA 1.445 -0.695 0 C-N-CA 123.895 0.878 . . . . 0.0 109.935 172.553 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 35.8 mttm -47.57 -44.75 26.46 Favored 'General case' 0 CA--C 1.535 0.379 0 CA-C-N 119.514 1.052 . . . . 0.0 112.036 -178.199 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 45.1 mt-10 -69.48 -68.93 0.37 Allowed 'General case' 0 CA--C 1.537 0.444 0 C-N-CA 122.716 0.406 . . . . 0.0 111.986 179.893 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 17' ' ' MET . . . . . . . . . . . . . 10.0 mtp -79.96 -22.27 42.8 Favored 'General case' 0 N--CA 1.457 -0.087 0 N-CA-C 114.558 1.318 . . . . 0.0 114.558 -169.251 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 24.2 ttp85 -58.87 -39.45 81.39 Favored 'General case' 0 N--CA 1.452 -0.333 0 CA-C-N 119.41 1.005 . . . . 0.0 111.566 -175.303 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -53.35 -46.95 69.73 Favored 'General case' 0 CA--C 1.53 0.189 0 O-C-N 121.754 -0.591 . . . . 0.0 110.205 173.897 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 20' ' ' ASN . . . . . . . . . . . . . 10.2 t30 -59.65 -52.96 63.3 Favored 'General case' 0 C--O 1.222 -0.385 0 CA-C-O 119.047 -0.501 . . . . 0.0 109.756 175.56 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 52.1 t -47.36 -54.5 2.89 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.254 0 CA-C-N 118.848 0.749 . . . . 0.0 111.114 177.08 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 55.6 t -62.43 -36.36 74.42 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.445 0 C-N-CA 123.447 0.699 . . . . 0.0 110.156 -176.314 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -65.31 -47.24 77.28 Favored 'General case' 0 CA--C 1.537 0.464 0 O-C-N 121.863 -0.523 . . . . 0.0 112.33 172.93 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 19.7 mt-10 -69.24 -53.49 19.59 Favored 'General case' 0 CA--C 1.53 0.191 0 O-C-N 121.921 -0.487 . . . . 0.0 111.143 -176.117 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 54.6 p -83.22 172.36 12.68 Favored 'General case' 0 N--CA 1.451 -0.4 0 C-N-CA 124.059 0.944 . . . . 0.0 110.366 -172.098 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 4.2 p -81.89 -12.59 58.36 Favored 'General case' 0 N--CA 1.45 -0.446 0 C-N-CA 123.424 0.69 . . . . 0.0 111.265 170.322 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -86.06 159.89 19.45 Favored 'General case' 0 N--CA 1.45 -0.473 0 CA-C-O 122.134 0.969 . . . . 0.0 113.287 -169.44 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 1.5 mptp? -141.7 -39.47 0.38 Allowed 'General case' 0 CA--C 1.531 0.222 0 C-N-CA 125.957 1.703 . . . . 0.0 109.971 174.991 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 3.0 mp0 -39.37 106.63 0.06 Allowed 'General case' 0 C--O 1.238 0.482 0 C-N-CA 126.963 2.105 . . . . 0.0 110.911 -179.402 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 24.3 t -76.76 73.88 3.41 Favored 'General case' 0 N--CA 1.452 -0.356 0 CA-C-O 121.744 0.783 . . . . 0.0 109.096 -173.782 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -168.92 -50.44 0.02 OUTLIER 'General case' 0 C--N 1.327 -0.391 0 N-CA-C 105.654 -1.98 . . . . 0.0 105.654 170.119 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -63.08 -47.58 82.3 Favored 'General case' 0 N--CA 1.453 -0.315 0 N-CA-C 107.58 -1.267 . . . . 0.0 107.58 168.115 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 33' ' ' ILE . . . . . . . . . . . . . 8.0 mm -57.31 -39.36 67.36 Favored 'Isoleucine or valine' 0 CA--C 1.538 0.49 0 C-N-CA 123.455 0.702 . . . . 0.0 111.609 174.216 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 81.4 m-20 -71.46 -35.58 70.92 Favored 'General case' 0 N--CA 1.463 0.182 0 O-C-N 121.202 -0.936 . . . . 0.0 110.882 -178.963 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 32.1 mt-30 -65.04 -41.5 95.14 Favored 'General case' 0 CA--C 1.534 0.364 0 O-C-N 121.686 -0.634 . . . . 0.0 111.066 169.75 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 16.1 mt -50.2 -53.84 10.31 Favored 'Isoleucine or valine' 0 C--N 1.343 0.29 0 N-CA-C 109.121 -0.696 . . . . 0.0 109.121 170.799 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 17.1 mt -56.38 -45.71 80.41 Favored 'General case' 0 CA--C 1.535 0.385 0 CA-C-N 118.678 0.672 . . . . 0.0 111.375 176.515 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -46.0 -48.74 14.17 Favored Glycine 0 CA--C 1.53 1.022 0 N-CA-C 111.552 -0.619 . . . . 0.0 111.552 174.19 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -63.26 -60.9 2.79 Favored 'General case' 0 N--CA 1.448 -0.559 0 C-N-CA 123.349 0.659 . . . . 0.0 110.762 173.326 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 83.8 mtt180 -56.24 -30.91 63.01 Favored 'General case' 0 N--CA 1.462 0.138 0 C-N-CA 124.02 0.928 . . . . 0.0 112.59 -169.454 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 41' ' ' TRP . . . . . . . . . . . . . 59.5 t-105 -39.69 -43.63 1.41 Allowed 'General case' 0 N--CA 1.453 -0.307 0 C-N-CA 123.444 0.698 . . . . 0.0 112.391 171.176 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 42' ' ' HIS . . . . . . . . . . . . . 75.9 m80 -59.77 -18.44 43.32 Favored 'General case' 0 CA--C 1.533 0.298 0 N-CA-C 113.056 0.762 . . . . 0.0 113.056 -174.422 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -79.15 -18.8 52.48 Favored 'General case' 0 CA--C 1.535 0.374 0 C-N-CA 123.008 0.523 . . . . 0.0 111.909 176.5 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 26.3 mt -63.82 130.7 45.24 Favored 'General case' 0 C--O 1.233 0.216 0 CA-C-N 119.023 0.829 . . . . 0.0 110.123 177.881 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 83.6 p -59.19 156.91 11.39 Favored 'General case' 0 CA--C 1.529 0.146 0 N-CA-C 108.875 -0.787 . . . . 0.0 108.875 169.507 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 4.2 mmp_? -53.32 -32.22 47.93 Favored 'General case' 0 CA--C 1.535 0.369 0 O-C-N 121.581 -0.7 . . . . 0.0 111.556 177.195 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 46.8 mp0 -69.93 -50.38 42.65 Favored 'General case' 0 N--CA 1.453 -0.285 0 C-N-CA 123.672 0.789 . . . . 0.0 110.648 176.626 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 42.0 mt-10 -55.39 -44.55 76.21 Favored 'General case' 0 CA--C 1.529 0.17 0 O-C-N 122.17 -0.331 . . . . 0.0 110.359 175.024 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 75.2 mt-30 -55.33 -59.59 4.58 Favored 'General case' 0 N--CA 1.452 -0.333 0 N-CA-C 108.976 -0.75 . . . . 0.0 108.976 173.902 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -45.77 -44.5 13.97 Favored 'General case' 0 CA--C 1.533 0.323 0 C-N-CA 123.895 0.878 . . . . 0.0 112.193 -179.253 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 6.6 pttt -44.46 -43.21 7.64 Favored 'General case' 0 CA--C 1.531 0.239 0 C-N-CA 123.173 0.589 . . . . 0.0 111.354 176.594 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 52' ' ' TYR . . . . . . . . . . . . . 49.2 m-85 -66.12 -36.5 83.33 Favored 'General case' 0 N--CA 1.452 -0.367 0 N-CA-C 112.94 0.719 . . . . 0.0 112.94 -178.062 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 53' ' ' TYR . . . . . . . . . . . . . 36.7 m-85 -69.28 -42.46 75.46 Favored 'General case' 0 N--CA 1.453 -0.305 0 N-CA-C 107.153 -1.425 . . . . 0.0 107.153 -178.349 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 42.8 mt-10 -54.15 -58.39 7.55 Favored 'General case' 0 CA--C 1.535 0.366 0 CA-C-N 116.147 -0.479 . . . . 0.0 109.805 169.837 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 1.3 mt -51.8 -57.93 7.91 Favored 'General case' 0 N--CA 1.464 0.225 0 C-N-CA 123.643 0.777 . . . . 0.0 111.194 -177.861 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.453 -0.324 0 C-N-CA 124.223 1.009 . . . . 0.0 109.852 175.797 . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 91.0 m-20 . . . . . 0 N--CA 1.443 -0.797 0 CA-C-O 121.988 0.899 . . . . 0.0 110.51 . . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -37.94 -66.17 0.28 Allowed 'General case' 0 N--CA 1.452 -0.352 0 C-N-CA 125.6 1.56 . . . . 0.0 115.045 -168.222 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 10' ' ' PHE . . . . . . . . . . . . . 4.3 m-85 -67.18 -19.29 65.55 Favored 'General case' 0 N--CA 1.453 -0.292 0 O-C-N 121.355 -0.841 . . . . 0.0 112.356 -169.693 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 11' ' ' MET . . . . . . . . . . . . . 48.2 mmm -69.6 -33.92 73.36 Favored 'General case' 0 N--CA 1.455 -0.22 0 CA-C-N 118.716 0.689 . . . . 0.0 109.325 177.814 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 65.5 mt -76.48 -41.81 45.79 Favored 'General case' 0 CA--C 1.515 -0.378 0 N-CA-C 109.462 -0.57 . . . . 0.0 109.462 174.476 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 29.6 t80 -53.1 -47.82 68.28 Favored 'General case' 0 C--N 1.339 0.109 0 N-CA-C 109.086 -0.709 . . . . 0.0 109.086 177.06 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 14' ' ' MET . . . . . . . . . . . . . 28.6 ttm -53.55 -66.04 0.46 Allowed 'General case' 0 N--CA 1.444 -0.736 0 C-N-CA 124.282 1.033 . . . . 0.0 110.237 170.202 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 14.0 mmtt -43.55 -44.29 6.03 Favored 'General case' 0 CA--C 1.537 0.453 0 CA-C-N 119.484 1.038 . . . . 0.0 112.516 -176.695 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 48.0 mt-10 -71.18 -65.21 0.77 Allowed 'General case' 0 CA--C 1.536 0.424 0 C-N-CA 123.507 0.723 . . . . 0.0 111.97 179.252 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 17' ' ' MET . . . . . . . . . . . . . 12.3 mtp -81.44 -28.95 33.98 Favored 'General case' 0 C--O 1.227 -0.083 0 N-CA-C 114.489 1.292 . . . . 0.0 114.489 -168.984 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 7.7 tmm_? -55.31 -41.43 72.36 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 121.476 -0.765 . . . . 0.0 112.23 -169.424 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -55.42 -46.11 76.7 Favored 'General case' 0 CA--C 1.534 0.35 0 O-C-N 121.425 -0.797 . . . . 0.0 111.176 172.215 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 20' ' ' ASN . . . . . . . . . . . . . 7.7 t30 -63.3 -46.22 87.76 Favored 'General case' 0 N--CA 1.453 -0.296 0 N-CA-C 109.573 -0.528 . . . . 0.0 109.573 178.27 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 64.3 t -51.69 -54.4 12.82 Favored 'Isoleucine or valine' 0 CA--C 1.521 -0.155 0 CA-C-N 118.168 0.44 . . . . 0.0 110.404 175.031 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 41.7 t -52.99 -50.22 45.61 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.374 0 N-CA-C 108.718 -0.845 . . . . 0.0 108.718 -178.203 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -54.4 -51.88 63.47 Favored 'General case' 0 CA--C 1.538 0.492 0 N-CA-C 112.265 0.468 . . . . 0.0 112.265 176.019 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 50.8 mt-10 -63.13 -57.53 10.27 Favored 'General case' 0 CA--C 1.533 0.312 0 CA-C-O 121.626 0.727 . . . . 0.0 112.179 -177.311 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 85.9 p -79.59 -22.11 44.15 Favored 'General case' 0 CA--C 1.514 -0.423 0 N-CA-C 115.718 1.747 . . . . 0.0 115.718 -167.609 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 17.6 p 64.11 7.47 3.44 Favored 'General case' 0 C--N 1.319 -0.736 0 C-N-CA 126.753 2.021 . . . . 0.0 112.42 -169.039 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -78.5 161.85 26.77 Favored 'General case' 0 CA--C 1.516 -0.328 0 CA-C-N 119.01 0.823 . . . . 0.0 109.473 169.242 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 1.1 mptp? -136.58 -43.64 0.6 Allowed 'General case' 0 N--CA 1.449 -0.521 0 CA-C-N 115.093 -0.958 . . . . 0.0 109.782 174.717 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 2.7 mp0 -38.88 103.13 0.03 OUTLIER 'General case' 0 C--O 1.236 0.348 0 C-N-CA 127.203 2.201 . . . . 0.0 109.229 -174.83 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 8.0 t -53.77 -37.0 62.99 Favored 'General case' 0 N--CA 1.447 -0.624 0 N-CA-C 113.89 1.07 . . . . 0.0 113.89 -167.623 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -64.81 -37.43 87.6 Favored 'General case' 0 CA--C 1.535 0.391 0 CA-C-N 119.682 1.128 . . . . 0.0 112.362 178.109 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -68.47 -49.29 60.87 Favored 'General case' 0 CA--C 1.527 0.089 0 CA-C-O 122.196 0.998 . . . . 0.0 108.832 175.642 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 33' ' ' ILE . . . . . . . . . . . . . 7.5 mm -58.22 -37.37 62.29 Favored 'Isoleucine or valine' 0 CA--C 1.545 0.786 0 C-N-CA 124.885 1.274 . . . . 0.0 111.553 -179.612 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 3.8 m-80 -58.96 -46.96 86.77 Favored 'General case' 0 N--CA 1.462 0.157 0 C-N-CA 124.134 0.974 . . . . 0.0 111.195 170.737 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 38.1 mt-30 -64.51 -40.37 95.51 Favored 'General case' 0 CA--C 1.533 0.294 0 O-C-N 121.81 -0.556 . . . . 0.0 110.932 177.605 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 19.7 mt -51.12 -54.81 9.45 Favored 'Isoleucine or valine' 0 C--N 1.34 0.194 0 N-CA-C 109.57 -0.53 . . . . 0.0 109.57 170.207 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 15.2 mt -55.75 -42.9 76.11 Favored 'General case' 0 CA--C 1.535 0.396 0 CA-C-N 118.577 0.626 . . . . 0.0 111.087 177.712 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -47.24 -52.28 13.4 Favored Glycine 0 CA--C 1.529 0.911 0 N-CA-C 111.077 -0.809 . . . . 0.0 111.077 172.096 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -60.51 -56.68 18.44 Favored 'General case' 0 N--CA 1.447 -0.62 0 O-C-N 121.779 -0.836 . . . . 0.0 110.972 174.434 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 61.4 mtt180 -58.56 -32.05 68.55 Favored 'General case' 0 CA--C 1.52 -0.175 0 O-C-N 121.832 -0.543 . . . . 0.0 111.89 -169.086 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 41' ' ' TRP . . . . . . . . . . . . . 63.0 t-105 -45.19 -40.13 6.94 Favored 'General case' 0 N--CA 1.451 -0.375 0 N-CA-C 112.457 0.54 . . . . 0.0 112.457 171.857 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 42' ' ' HIS . . . . . . . . . . . . . 64.7 m80 -59.85 -18.94 48.11 Favored 'General case' 0 CA--C 1.532 0.274 0 C-N-CA 123.481 0.712 . . . . 0.0 112.648 -177.009 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -79.33 -19.68 49.71 Favored 'General case' 0 CA--C 1.535 0.389 0 C-N-CA 123.018 0.527 . . . . 0.0 111.898 176.054 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 16.3 mt -70.0 127.12 31.76 Favored 'General case' 0 N--CA 1.455 -0.216 0 CA-C-N 118.91 0.777 . . . . 0.0 110.906 -177.873 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 79.4 p -58.15 155.09 11.79 Favored 'General case' 0 CA--C 1.533 0.291 0 N-CA-C 108.255 -1.017 . . . . 0.0 108.255 168.486 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -55.57 -27.04 46.84 Favored 'General case' 0 CA--C 1.538 0.493 0 CA-C-N 119.279 0.945 . . . . 0.0 111.32 178.886 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 39.6 mp0 -68.94 -52.62 27.26 Favored 'General case' 0 CA--C 1.532 0.268 0 C-N-CA 123.65 0.78 . . . . 0.0 110.801 174.397 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 27.3 mt-10 -53.83 -42.84 68.91 Favored 'General case' 0 C--O 1.224 -0.24 0 O-C-N 122.194 -0.316 . . . . 0.0 110.391 173.787 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 75.0 mt-30 -58.08 -58.9 6.39 Favored 'General case' 0 N--CA 1.451 -0.42 0 N-CA-C 109.359 -0.608 . . . . 0.0 109.359 174.287 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -44.6 -43.68 8.34 Favored 'General case' 0 C--O 1.234 0.263 0 C-N-CA 125.148 1.379 . . . . 0.0 112.303 -177.767 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 4.0 pttp -47.9 -41.06 23.53 Favored 'General case' 0 CA--C 1.535 0.397 0 CA-C-N 117.668 0.213 . . . . 0.0 111.549 178.228 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 52' ' ' TYR . . . . . . . . . . . . . 57.2 m-85 -61.79 -35.76 79.11 Favored 'General case' 0 N--CA 1.453 -0.297 0 O-C-N 121.49 -0.756 . . . . 0.0 112.803 -179.886 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 53' ' ' TYR . . . . . . . . . . . . . 35.3 m-85 -72.59 -33.07 66.46 Favored 'General case' 0 N--CA 1.452 -0.346 0 N-CA-C 108.064 -1.087 . . . . 0.0 108.064 -175.204 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 41.7 mt-10 -65.9 -62.46 1.48 Allowed 'General case' 0 CA--C 1.534 0.336 0 C-N-CA 123.289 0.636 . . . . 0.0 109.507 169.714 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 5.8 mp -43.01 -51.98 5.45 Favored 'General case' 0 N--CA 1.464 0.241 0 C-N-CA 124.717 1.207 . . . . 0.0 112.568 177.11 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.538 0.499 0 C-N-CA 123.494 0.717 . . . . 0.0 110.061 176.636 . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 12.3 p-10 . . . . . 0 N--CA 1.449 -0.485 0 CA-C-O 121.873 0.844 . . . . 0.0 111.251 . . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -38.72 -69.09 0.13 Allowed 'General case' 0 N--CA 1.454 -0.239 0 C-N-CA 125.977 1.711 . . . . 0.0 113.946 -169.0 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 10' ' ' PHE . . . . . . . . . . . . . 4.3 m-85 -68.52 -20.49 64.57 Favored 'General case' 0 N--CA 1.452 -0.357 0 O-C-N 121.699 -0.626 . . . . 0.0 111.489 -170.436 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 11' ' ' MET . . . . . . . . . . . . . 78.0 mmm -75.49 -38.47 59.49 Favored 'General case' 0 N--CA 1.45 -0.447 0 N-CA-C 108.953 -0.758 . . . . 0.0 108.953 178.69 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 65.7 mt -63.91 -44.99 91.27 Favored 'General case' 0 N--CA 1.461 0.101 0 O-C-N 121.655 -0.653 . . . . 0.0 109.288 169.831 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 20.4 t80 -54.24 -46.54 72.59 Favored 'General case' 0 CA--C 1.529 0.145 0 N-CA-C 109.586 -0.524 . . . . 0.0 109.586 178.614 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 14' ' ' MET . . . . . . . . . . . . . 32.0 ttm -53.45 -62.51 1.61 Allowed 'General case' 0 N--CA 1.45 -0.454 0 C-N-CA 123.407 0.683 . . . . 0.0 110.119 170.723 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 18.9 mttt -46.37 -43.96 16.6 Favored 'General case' 0 CA--C 1.536 0.416 0 CA-C-N 118.804 0.729 . . . . 0.0 111.976 -176.852 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 47.2 mt-10 -71.0 -66.19 0.64 Allowed 'General case' 0 CA--C 1.537 0.457 0 C-N-CA 123.132 0.573 . . . . 0.0 111.882 178.71 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 17' ' ' MET . . . . . . . . . . . . . 9.2 mtp -81.42 -29.26 33.95 Favored 'General case' 0 C--O 1.227 -0.102 0 N-CA-C 114.635 1.346 . . . . 0.0 114.635 -169.002 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 7.2 tmm_? -55.33 -43.85 75.33 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 119.338 0.972 . . . . 0.0 111.114 -173.636 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -52.77 -47.88 67.2 Favored 'General case' 0 CA--C 1.533 0.319 0 O-C-N 121.99 -0.444 . . . . 0.0 110.762 172.685 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 20' ' ' ASN . . . . . . . . . . . . . 3.1 t30 -60.56 -50.43 73.56 Favored 'General case' 0 C--O 1.223 -0.306 0 N-CA-C 109.657 -0.498 . . . . 0.0 109.657 177.066 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 78.5 t -50.46 -51.25 19.32 Favored 'Isoleucine or valine' 0 N--CA 1.46 0.066 0 CA-C-N 118.893 0.77 . . . . 0.0 110.438 178.053 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 49.9 t -61.27 -37.18 76.99 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.374 0 C-N-CA 122.699 0.4 . . . . 0.0 110.038 -178.275 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -66.11 -46.3 78.08 Favored 'General case' 0 CA--C 1.538 0.482 0 O-C-N 121.762 -0.586 . . . . 0.0 112.306 173.908 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 28.9 mt-10 -69.97 -53.44 17.76 Favored 'General case' 0 CA--C 1.53 0.193 0 C-N-CA 123.085 0.554 . . . . 0.0 111.272 -175.662 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 53.3 p -84.2 175.86 9.16 Favored 'General case' 0 N--CA 1.451 -0.394 0 C-N-CA 124.005 0.922 . . . . 0.0 110.649 -169.867 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 4.3 p -83.39 -9.35 59.09 Favored 'General case' 0 N--CA 1.447 -0.585 0 C-N-CA 123.621 0.768 . . . . 0.0 111.24 169.9 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -90.55 155.7 18.69 Favored 'General case' 0 N--CA 1.448 -0.556 0 CA-C-O 122.264 1.03 . . . . 0.0 112.863 -169.694 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 7.9 mptt -137.64 -41.83 0.55 Allowed 'General case' 0 N--CA 1.45 -0.468 0 CA-C-N 113.573 -1.648 . . . . 0.0 109.081 173.729 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 2.9 mp0 -39.07 107.13 0.06 Allowed 'General case' 0 C--O 1.236 0.382 0 C-N-CA 127.257 2.223 . . . . 0.0 110.215 -177.888 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 12.1 t -54.49 -47.59 72.85 Favored 'General case' 0 N--CA 1.448 -0.56 0 CA-C-O 119.014 -0.517 . . . . 0.0 112.227 -168.583 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -55.86 -40.35 72.77 Favored 'General case' 0 CA--C 1.535 0.384 0 CA-C-N 120.192 1.36 . . . . 0.0 112.922 -178.278 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -70.17 -51.03 34.43 Favored 'General case' 0 CA--C 1.53 0.192 0 CA-C-O 121.708 0.765 . . . . 0.0 109.746 176.462 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 33' ' ' ILE . . . . . . . . . . . . . 6.8 mm -52.86 -37.63 26.22 Favored 'Isoleucine or valine' 0 CA--C 1.545 0.783 0 C-N-CA 124.582 1.153 . . . . 0.0 111.833 178.702 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 80.5 m-20 -71.39 -36.96 71.57 Favored 'General case' 0 C--N 1.328 -0.34 0 O-C-N 120.551 -1.343 . . . . 0.0 109.713 -179.039 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 38.5 mt-30 -65.38 -37.22 86.34 Favored 'General case' 0 CA--C 1.533 0.322 0 O-C-N 121.797 -0.564 . . . . 0.0 110.036 169.594 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 18.3 mt -54.84 -48.6 73.74 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.316 0 CA-C-N 119.089 0.858 . . . . 0.0 110.39 169.927 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 4.2 mm? -54.54 -50.1 68.71 Favored 'General case' 0 CA--C 1.538 0.505 0 CA-C-N 120.008 1.277 . . . . 0.0 109.584 173.607 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -47.61 -48.18 23.01 Favored Glycine 0 CA--C 1.533 1.157 0 C-N-CA 123.483 0.564 . . . . 0.0 112.296 176.994 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -61.83 -63.84 1.13 Allowed 'General case' 0 N--CA 1.448 -0.543 0 C-N-CA 123.803 0.841 . . . . 0.0 109.998 175.074 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 83.0 mtt180 -55.52 -30.36 60.56 Favored 'General case' 0 C--O 1.231 0.094 0 C-N-CA 123.971 0.908 . . . . 0.0 112.084 -169.616 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 41' ' ' TRP . . . . . . . . . . . . . 60.6 t-105 -40.67 -43.53 1.96 Allowed 'General case' 0 N--CA 1.454 -0.255 0 C-N-CA 123.295 0.638 . . . . 0.0 112.476 171.267 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 42' ' ' HIS . . . . . . . . . . . . . 73.9 m80 -59.53 -20.75 57.8 Favored 'General case' 0 CA--C 1.533 0.303 0 N-CA-C 112.841 0.682 . . . . 0.0 112.841 -174.952 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -79.29 -18.26 53.01 Favored 'General case' 0 CA--C 1.534 0.349 0 C-N-CA 122.998 0.519 . . . . 0.0 111.953 177.073 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 28.4 mt -66.28 125.81 26.76 Favored 'General case' 0 CA--C 1.532 0.287 0 CA-C-N 118.882 0.765 . . . . 0.0 110.295 -179.363 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 80.0 p -56.65 160.79 3.1 Favored 'General case' 0 CA--C 1.531 0.232 0 N-CA-C 109.993 -0.373 . . . . 0.0 109.993 169.464 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 59.7 ttp180 -44.11 -46.12 8.48 Favored 'General case' 0 CA--C 1.535 0.369 0 C-N-CA 123.589 0.756 . . . . 0.0 111.027 172.822 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 48.8 mp0 -67.27 -49.57 63.8 Favored 'General case' 0 N--CA 1.452 -0.361 0 C-N-CA 123.616 0.767 . . . . 0.0 111.095 -178.761 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 33.9 mt-10 -55.36 -43.21 74.87 Favored 'General case' 0 C--O 1.224 -0.283 0 O-C-N 122.265 -0.272 . . . . 0.0 110.623 176.079 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 72.3 mt-30 -58.49 -58.88 6.57 Favored 'General case' 0 N--CA 1.455 -0.225 0 N-CA-C 109.1 -0.704 . . . . 0.0 109.1 174.219 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -45.61 -43.76 12.52 Favored 'General case' 0 C--O 1.235 0.327 0 C-N-CA 124.268 1.027 . . . . 0.0 112.325 -178.366 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 1.7 pttp -47.64 -40.91 20.89 Favored 'General case' 0 CA--C 1.533 0.31 0 C-N-CA 122.644 0.378 . . . . 0.0 111.437 178.018 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 52' ' ' TYR . . . . . . . . . . . . . 48.4 m-85 -65.31 -33.26 75.56 Favored 'General case' 0 N--CA 1.453 -0.307 0 N-CA-C 113.013 0.746 . . . . 0.0 113.013 -179.445 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 53' ' ' TYR . . . . . . . . . . . . . 40.7 m-85 -73.51 -42.78 61.36 Favored 'General case' 0 N--CA 1.45 -0.443 0 N-CA-C 107.277 -1.379 . . . . 0.0 107.277 -177.343 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 42.8 mt-10 -53.95 -61.53 2.24 Favored 'General case' 0 CA--C 1.535 0.373 0 CA-C-N 116.15 -0.477 . . . . 0.0 109.985 170.031 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 5.1 mp -48.58 -51.07 29.7 Favored 'General case' 0 C--O 1.224 -0.237 0 C-N-CA 124.247 1.019 . . . . 0.0 113.294 176.559 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.533 0.303 0 CA-C-N 118.542 0.61 . . . . 0.0 109.824 177.914 . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 5.5 p30 . . . . . 0 N--CA 1.446 -0.659 0 CA-C-O 122.284 1.04 . . . . 0.0 111.521 . . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -38.79 -62.33 0.63 Allowed 'General case' 0 N--CA 1.448 -0.564 0 C-N-CA 127.028 2.131 . . . . 0.0 113.986 -179.565 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 10' ' ' PHE . . . . . . . . . . . . . 5.4 m-85 -69.22 -25.41 64.29 Favored 'General case' 0 N--CA 1.455 -0.195 0 O-C-N 121.337 -0.852 . . . . 0.0 111.567 -169.278 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 11' ' ' MET . . . . . . . . . . . . . 60.6 mmm -65.83 -36.52 83.7 Favored 'General case' 0 CA--C 1.532 0.268 0 N-CA-C 109.134 -0.691 . . . . 0.0 109.134 177.612 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 57.4 mt -72.48 -43.77 63.23 Favored 'General case' 0 CA--C 1.521 -0.158 0 O-C-N 121.851 -0.531 . . . . 0.0 109.902 174.523 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 19.4 t80 -53.94 -47.28 71.43 Favored 'General case' 0 C--N 1.34 0.195 0 N-CA-C 109.3 -0.63 . . . . 0.0 109.3 178.861 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 14' ' ' MET . . . . . . . . . . . . . 16.1 ttm -54.13 -63.02 1.28 Allowed 'General case' 0 N--CA 1.444 -0.726 0 C-N-CA 124.124 0.97 . . . . 0.0 110.313 170.041 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 15.7 mmtt -43.93 -43.64 6.61 Favored 'General case' 0 CA--C 1.537 0.469 0 CA-C-N 120.2 1.364 . . . . 0.0 112.453 -178.029 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 45.7 mt-10 -71.31 -64.57 0.89 Allowed 'General case' 0 CA--C 1.538 0.505 0 C-N-CA 123.074 0.549 . . . . 0.0 112.106 178.496 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 17' ' ' MET . . . . . . . . . . . . . 4.1 mtp -79.87 -31.84 40.4 Favored 'General case' 0 C--O 1.224 -0.279 0 N-CA-C 114.074 1.138 . . . . 0.0 114.074 -169.057 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 7.4 tmm_? -56.63 -44.36 81.15 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 121.445 -0.784 . . . . 0.0 111.704 -170.051 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -53.53 -46.67 70.22 Favored 'General case' 0 CA--C 1.532 0.26 0 O-C-N 121.819 -0.551 . . . . 0.0 110.395 172.887 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 20' ' ' ASN . . . . . . . . . . . . . 47.8 t30 -59.15 -53.74 54.88 Favored 'General case' 0 C--O 1.221 -0.416 0 N-CA-C 109.235 -0.654 . . . . 0.0 109.235 176.961 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 71.9 t -47.22 -51.41 6.06 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.315 0 CA-C-N 118.898 0.772 . . . . 0.0 111.242 175.907 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 42.3 t -61.81 -36.23 72.49 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.37 0 C-N-CA 122.441 0.296 . . . . 0.0 110.342 -177.651 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -68.29 -42.81 78.94 Favored 'General case' 0 CA--C 1.54 0.574 0 O-C-N 121.885 -0.509 . . . . 0.0 112.154 173.315 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 47.5 mt-10 -67.51 -55.21 14.42 Favored 'General case' 0 CA--C 1.531 0.216 0 C-N-CA 124.546 1.139 . . . . 0.0 111.175 -176.769 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 56.0 p -89.53 175.99 7.07 Favored 'General case' 0 N--CA 1.45 -0.46 0 C-N-CA 125.013 1.325 . . . . 0.0 110.795 -169.406 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 4.4 p -81.22 -15.47 55.55 Favored 'General case' 0 N--CA 1.448 -0.542 0 C-N-CA 123.727 0.811 . . . . 0.0 111.141 169.973 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -83.17 162.57 21.22 Favored 'General case' 0 N--CA 1.447 -0.582 0 CA-C-O 122.418 1.104 . . . . 0.0 113.308 -169.643 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 1.2 mptp? -145.27 -44.11 0.22 Allowed 'General case' 0 N--CA 1.45 -0.458 0 CA-C-N 113.193 -1.821 . . . . 0.0 109.528 176.209 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 44.9 mt-10 -39.88 105.11 0.04 OUTLIER 'General case' 0 C--N 1.343 0.295 0 C-N-CA 125.733 1.613 . . . . 0.0 109.738 -176.181 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 22.4 t -51.55 -47.55 63.38 Favored 'General case' 0 C--O 1.22 -0.458 0 O-C-N 123.67 0.607 . . . . 0.0 110.655 -169.076 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -54.21 -37.78 64.94 Favored 'General case' 0 CA--C 1.535 0.38 0 N-CA-C 113.452 0.908 . . . . 0.0 113.452 -179.961 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -75.74 -51.35 12.87 Favored 'General case' 0 CA--C 1.531 0.237 0 CA-C-N 119.052 0.842 . . . . 0.0 109.707 176.553 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 33' ' ' ILE . . . . . . . . . . . . . 6.5 mm -50.81 -34.93 13.6 Favored 'Isoleucine or valine' 0 CA--C 1.545 0.75 0 C-N-CA 125.251 1.42 . . . . 0.0 111.91 178.024 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 84.0 m-20 -73.85 -31.86 63.39 Favored 'General case' 0 C--N 1.331 -0.221 0 C-N-CA 124.769 1.227 . . . . 0.0 110.659 179.728 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 43.8 mt-30 -70.75 -39.28 73.38 Favored 'General case' 0 CA--C 1.533 0.315 0 O-C-N 121.865 -0.522 . . . . 0.0 109.751 170.564 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 6.3 mt -51.51 -53.65 15.28 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.381 0 N-CA-C 108.765 -0.828 . . . . 0.0 108.765 169.507 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 10.1 mt -58.53 -41.54 85.76 Favored 'General case' 0 CA--C 1.534 0.34 0 O-C-N 121.8 -0.563 . . . . 0.0 111.413 178.528 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -48.46 -52.27 19.62 Favored Glycine 0 CA--C 1.529 0.914 0 C-N-CA 123.786 0.707 . . . . 0.0 111.435 171.492 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -58.33 -54.8 42.87 Favored 'General case' 0 N--CA 1.447 -0.583 0 O-C-N 121.568 -0.96 . . . . 0.0 110.14 173.315 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 79.9 mtt180 -60.83 -23.91 65.46 Favored 'General case' 0 C--O 1.232 0.138 0 O-C-N 122.026 -0.421 . . . . 0.0 111.73 -169.957 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 41' ' ' TRP . . . . . . . . . . . . . 65.1 t-105 -48.28 -41.93 29.35 Favored 'General case' 0 N--CA 1.451 -0.416 0 CA-C-N 118.569 0.622 . . . . 0.0 111.288 171.297 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 42' ' ' HIS . . . . . . . . . . . . . 71.6 m80 -61.09 -19.96 62.06 Favored 'General case' 0 CA--C 1.532 0.267 0 C-N-CA 123.846 0.858 . . . . 0.0 112.34 -175.465 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -78.99 -20.04 50.1 Favored 'General case' 0 CA--C 1.534 0.36 0 C-N-CA 122.55 0.34 . . . . 0.0 111.585 176.67 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 28.1 mt -66.77 125.73 26.79 Favored 'General case' 0 C--O 1.235 0.309 0 CA-C-N 118.885 0.766 . . . . 0.0 110.498 -179.597 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 86.1 p -59.03 154.8 14.82 Favored 'General case' 0 CA--C 1.531 0.235 0 N-CA-C 108.103 -1.073 . . . . 0.0 108.103 168.809 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -54.4 -33.12 58.71 Favored 'General case' 0 CA--C 1.537 0.445 0 O-C-N 121.816 -0.553 . . . . 0.0 110.994 -177.611 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 2.4 mp0 -63.56 -52.53 60.64 Favored 'General case' 0 CA--C 1.532 0.267 0 C-N-CA 123.883 0.873 . . . . 0.0 110.934 174.26 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 37.2 mt-10 -56.4 -42.87 78.68 Favored 'General case' 0 C--O 1.224 -0.244 0 N-CA-C 110.275 -0.268 . . . . 0.0 110.275 176.063 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 74.9 mt-30 -55.24 -59.88 4.17 Favored 'General case' 0 N--CA 1.454 -0.233 0 N-CA-C 109.19 -0.671 . . . . 0.0 109.19 174.158 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -47.36 -43.19 22.96 Favored 'General case' 0 CA--C 1.533 0.307 0 C-N-CA 123.96 0.904 . . . . 0.0 112.21 -178.865 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 10.0 pttt -46.56 -41.88 15.04 Favored 'General case' 0 CA--C 1.534 0.355 0 C-N-CA 122.744 0.418 . . . . 0.0 111.554 176.948 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 52' ' ' TYR . . . . . . . . . . . . . 44.6 m-85 -63.74 -34.02 76.96 Favored 'General case' 0 CA--C 1.517 -0.327 0 N-CA-C 112.911 0.708 . . . . 0.0 112.911 -179.127 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 53' ' ' TYR . . . . . . . . . . . . . 29.8 m-85 -72.25 -42.86 65.17 Favored 'General case' 0 N--CA 1.449 -0.482 0 N-CA-C 107.073 -1.454 . . . . 0.0 107.073 -176.475 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 42.2 mt-10 -53.79 -61.33 2.37 Favored 'General case' 0 CA--C 1.534 0.352 0 CA-C-N 116.372 -0.376 . . . . 0.0 110.009 169.91 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 5.2 mp -45.99 -54.19 8.78 Favored 'General case' 0 C--O 1.225 -0.22 0 C-N-CA 124.263 1.025 . . . . 0.0 112.891 176.542 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.534 0.331 0 CA-C-O 121.12 0.486 . . . . 0.0 109.774 179.039 . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 4.6 p30 . . . . . 0 N--CA 1.443 -0.794 0 CA-C-O 122.453 1.12 . . . . 0.0 111.691 . . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -38.53 -62.91 0.55 Allowed 'General case' 0 N--CA 1.445 -0.681 0 C-N-CA 126.784 2.034 . . . . 0.0 113.567 -179.624 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 10' ' ' PHE . . . . . . . . . . . . . 5.6 m-85 -70.85 -27.07 63.57 Favored 'General case' 0 N--CA 1.452 -0.345 0 O-C-N 121.599 -0.688 . . . . 0.0 110.952 -170.219 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 11' ' ' MET . . . . . . . . . . . . . 69.7 mmm -66.24 -44.67 83.1 Favored 'General case' 0 N--CA 1.452 -0.343 0 N-CA-C 108.643 -0.873 . . . . 0.0 108.643 177.816 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 64.2 mt -61.96 -45.15 94.93 Favored 'General case' 0 C--N 1.334 -0.083 0 O-C-N 121.794 -0.566 . . . . 0.0 110.126 174.177 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 12.8 t80 -54.23 -44.95 72.17 Favored 'General case' 0 CA--C 1.53 0.201 0 C-N-CA 120.512 -0.475 . . . . 0.0 109.921 178.64 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 14' ' ' MET . . . . . . . . . . . . . 24.5 ttm -54.87 -60.38 3.44 Favored 'General case' 0 N--CA 1.451 -0.39 0 C-N-CA 123.318 0.647 . . . . 0.0 110.288 171.469 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 4.9 mtpm? -48.96 -43.94 40.31 Favored 'General case' 0 CA--C 1.534 0.345 0 CA-C-N 119.183 0.901 . . . . 0.0 111.701 -176.715 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 48.2 mt-10 -68.4 -63.62 1.02 Allowed 'General case' 0 CA--C 1.536 0.409 0 C-N-CA 123.017 0.527 . . . . 0.0 111.811 179.498 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 17' ' ' MET . . . . . . . . . . . . . 8.9 mtp -83.29 -28.44 29.11 Favored 'General case' 0 C--O 1.226 -0.132 0 N-CA-C 114.584 1.327 . . . . 0.0 114.584 -169.072 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 7.1 tmm_? -57.71 -41.96 82.82 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 118.978 0.808 . . . . 0.0 111.747 -169.944 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -54.71 -47.82 73.24 Favored 'General case' 0 CA--C 1.533 0.296 0 O-C-N 122.054 -0.403 . . . . 0.0 110.557 172.505 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 20' ' ' ASN . . . . . . . . . . . . . 1.7 t30 -58.21 -50.47 73.43 Favored 'General case' 0 C--O 1.222 -0.358 0 N-CA-C 109.505 -0.554 . . . . 0.0 109.505 175.655 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 74.3 t -51.67 -52.81 19.55 Favored 'Isoleucine or valine' 0 C--N 1.334 -0.101 0 CA-C-N 119.04 0.837 . . . . 0.0 110.572 178.975 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 55.2 t -58.77 -36.75 62.32 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.473 0 C-N-CA 122.883 0.473 . . . . 0.0 110.501 -178.882 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -67.32 -47.56 70.16 Favored 'General case' 0 CA--C 1.539 0.546 0 N-CA-C 112.524 0.565 . . . . 0.0 112.524 173.278 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 32.6 mt-10 -68.71 -52.32 32.02 Favored 'General case' 0 CA--C 1.53 0.194 0 C-N-CA 123.396 0.679 . . . . 0.0 111.397 -174.887 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 55.9 p -89.49 177.05 6.66 Favored 'General case' 0 N--CA 1.451 -0.418 0 C-N-CA 124.086 0.954 . . . . 0.0 110.974 -169.594 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 3.7 p -81.4 -12.24 59.02 Favored 'General case' 0 N--CA 1.445 -0.682 0 C-N-CA 123.754 0.822 . . . . 0.0 110.989 169.731 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 4.1 mm? -82.75 153.23 25.38 Favored 'General case' 0 N--CA 1.447 -0.597 0 CA-C-N 119.247 0.93 . . . . 0.0 113.171 -169.857 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 2.0 mptp? -139.79 -32.22 0.64 Allowed 'General case' 0 CA--C 1.532 0.262 0 CA-C-N 113.67 -1.604 . . . . 0.0 110.711 168.086 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 2.8 mp0 -52.67 112.14 0.78 Allowed 'General case' 0 N--CA 1.451 -0.413 0 C-N-CA 125.259 1.424 . . . . 0.0 107.946 -173.687 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 9.4 t -56.81 -34.54 67.79 Favored 'General case' 0 N--CA 1.445 -0.72 0 N-CA-C 113.498 0.925 . . . . 0.0 113.498 -168.075 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -65.39 -39.63 92.48 Favored 'General case' 0 CA--C 1.534 0.331 0 CA-C-N 120.143 1.338 . . . . 0.0 112.551 177.446 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -69.06 -48.16 63.47 Favored 'General case' 0 C--N 1.335 -0.047 0 O-C-N 121.399 -0.813 . . . . 0.0 108.91 176.221 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 33' ' ' ILE . . . . . . . . . . . . . 8.1 mm -56.65 -41.17 73.43 Favored 'Isoleucine or valine' 0 CA--C 1.542 0.654 0 C-N-CA 124.091 0.956 . . . . 0.0 111.236 178.881 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 3.2 m-80 -56.02 -48.03 76.71 Favored 'General case' 0 N--CA 1.463 0.199 0 O-C-N 120.825 -1.172 . . . . 0.0 111.137 172.22 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 36.8 mt-30 -62.87 -36.6 83.82 Favored 'General case' 0 CA--C 1.533 0.311 0 C-N-CA 120.235 -0.586 . . . . 0.0 110.743 176.133 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 42.0 mt -56.29 -50.36 71.93 Favored 'Isoleucine or valine' 0 CA--C 1.537 0.449 0 CA-C-N 118.714 0.688 . . . . 0.0 110.542 170.641 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 4.1 mm? -53.07 -47.03 68.81 Favored 'General case' 0 CA--C 1.537 0.464 0 CA-C-N 120.068 1.304 . . . . 0.0 110.105 172.715 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -49.54 -51.07 28.77 Favored Glycine 0 CA--C 1.532 1.137 0 C-N-CA 123.938 0.78 . . . . 0.0 112.055 176.148 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 1.6 tmt_? -56.43 -62.77 1.49 Allowed 'General case' 0 N--CA 1.449 -0.481 0 O-C-N 121.836 -0.802 . . . . 0.0 109.168 173.34 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 57.3 mtt180 -56.85 -24.28 50.22 Favored 'General case' 0 N--CA 1.456 -0.141 0 C-N-CA 123.766 0.827 . . . . 0.0 112.283 -171.737 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 41' ' ' TRP . . . . . . . . . . . . . 64.1 t-105 -49.49 -40.45 37.41 Favored 'General case' 0 N--CA 1.454 -0.264 0 CA-C-N 118.845 0.748 . . . . 0.0 111.174 172.865 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 42' ' ' HIS . . . . . . . . . . . . . 71.0 m80 -60.7 -19.63 59.1 Favored 'General case' 0 N--CA 1.453 -0.284 0 C-N-CA 123.702 0.801 . . . . 0.0 112.587 -176.974 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -79.25 -18.41 52.85 Favored 'General case' 0 CA--C 1.534 0.362 0 CA-C-N 118.072 0.396 . . . . 0.0 111.5 177.182 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 31.0 mt -70.54 124.82 25.15 Favored 'General case' 0 N--CA 1.453 -0.294 0 CA-C-N 118.662 0.664 . . . . 0.0 110.362 -179.628 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 78.6 p -56.96 160.86 3.29 Favored 'General case' 0 CA--C 1.531 0.237 0 N-CA-C 109.53 -0.544 . . . . 0.0 109.53 169.139 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 61.9 ttp85 -45.68 -44.87 13.82 Favored 'General case' 0 CA--C 1.536 0.425 0 C-N-CA 123.147 0.579 . . . . 0.0 110.773 173.883 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 58.4 mp0 -65.46 -50.82 63.94 Favored 'General case' 0 N--CA 1.45 -0.442 0 C-N-CA 123.766 0.827 . . . . 0.0 111.126 179.989 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 33.0 mt-10 -55.97 -43.17 77.31 Favored 'General case' 0 CA--C 1.529 0.149 0 C-N-CA 120.889 -0.324 . . . . 0.0 110.801 176.715 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 75.1 mt-30 -56.77 -59.79 4.5 Favored 'General case' 0 N--CA 1.454 -0.225 0 N-CA-C 108.917 -0.771 . . . . 0.0 108.917 174.17 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -47.65 -42.93 25.65 Favored 'General case' 0 CA--C 1.531 0.227 0 C-N-CA 123.754 0.821 . . . . 0.0 112.042 -178.149 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 9.8 pttt -45.77 -43.06 12.78 Favored 'General case' 0 CA--C 1.533 0.316 0 C-N-CA 123.03 0.532 . . . . 0.0 111.241 177.158 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 52' ' ' TYR . . . . . . . . . . . . . 40.9 m-85 -62.31 -35.02 77.76 Favored 'General case' 0 N--CA 1.454 -0.272 0 N-CA-C 112.801 0.667 . . . . 0.0 112.801 -178.348 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 53' ' ' TYR . . . . . . . . . . . . . 30.6 m-85 -70.74 -36.95 73.4 Favored 'General case' 0 N--CA 1.451 -0.399 0 N-CA-C 107.77 -1.196 . . . . 0.0 107.77 -176.002 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 33.5 mm-40 -62.44 -59.08 5.48 Favored 'General case' 0 CA--C 1.533 0.314 0 N-CA-C 109.903 -0.406 . . . . 0.0 109.903 169.71 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 6.4 mp -45.16 -50.14 11.57 Favored 'General case' 0 C--O 1.226 -0.182 0 C-N-CA 124.095 0.958 . . . . 0.0 113.251 177.017 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.536 0.429 0 CA-C-O 121.24 0.543 . . . . 0.0 110.017 176.752 . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 6.3 p30 . . . . . 0 N--CA 1.449 -0.515 0 CA-C-O 122.074 0.94 . . . . 0.0 111.958 . . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -38.88 -64.1 0.47 Allowed 'General case' 0 N--CA 1.448 -0.571 0 C-N-CA 126.846 2.058 . . . . 0.0 114.063 178.601 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 10' ' ' PHE . . . . . . . . . . . . . 5.5 m-85 -69.74 -26.37 64.29 Favored 'General case' 0 N--CA 1.455 -0.224 0 O-C-N 121.499 -0.751 . . . . 0.0 111.11 -169.635 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 11' ' ' MET . . . . . . . . . . . . . 43.5 mmm -62.88 -46.67 86.79 Favored 'General case' 0 N--CA 1.453 -0.286 0 N-CA-C 108.317 -0.994 . . . . 0.0 108.317 176.346 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 47.4 mt -63.93 -43.77 94.89 Favored 'General case' 0 C--N 1.332 -0.185 0 O-C-N 121.98 -0.45 . . . . 0.0 109.849 176.798 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 14.8 t80 -54.46 -45.07 73.04 Favored 'General case' 0 C--N 1.34 0.179 0 N-CA-C 109.603 -0.517 . . . . 0.0 109.603 178.734 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 14' ' ' MET . . . . . . . . . . . . . 20.1 ttm -56.17 -61.55 2.31 Favored 'General case' 0 N--CA 1.446 -0.644 0 CA-C-O 118.605 -0.712 . . . . 0.0 109.981 172.653 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 5.3 mtpm? -47.34 -41.29 19.17 Favored 'General case' 0 CA--C 1.535 0.4 0 CA-C-N 119.402 1.001 . . . . 0.0 111.96 -177.179 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 46.9 mt-10 -71.88 -69.6 0.38 Allowed 'General case' 0 CA--C 1.538 0.497 0 C-N-CA 123.106 0.562 . . . . 0.0 112.34 177.832 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 17' ' ' MET . . . . . . . . . . . . . 7.6 mtp -79.9 -26.97 40.03 Favored 'General case' 0 CA--C 1.523 -0.069 0 N-CA-C 114.581 1.326 . . . . 0.0 114.581 -169.047 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 6.8 tmm_? -58.91 -41.87 88.29 Favored 'General case' 0 C--N 1.327 -0.396 0 O-C-N 121.304 -0.873 . . . . 0.0 111.186 -171.774 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -51.79 -47.89 64.04 Favored 'General case' 0 CA--C 1.533 0.288 0 O-C-N 122.137 -0.352 . . . . 0.0 110.452 172.598 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 20' ' ' ASN . . . . . . . . . . . . . 4.4 t30 -59.63 -51.07 71.37 Favored 'General case' 0 C--O 1.224 -0.271 0 CA-C-O 119.111 -0.471 . . . . 0.0 109.874 176.023 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 73.2 t -50.64 -51.12 20.53 Favored 'Isoleucine or valine' 0 N--CA 1.461 0.114 0 CA-C-N 118.968 0.803 . . . . 0.0 110.859 178.152 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 46.9 t -61.89 -36.87 76.4 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.398 0 C-N-CA 122.82 0.448 . . . . 0.0 109.932 -177.703 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -65.26 -46.66 79.62 Favored 'General case' 0 CA--C 1.539 0.525 0 O-C-N 121.871 -0.518 . . . . 0.0 112.185 173.347 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 27.6 mt-10 -69.18 -52.76 24.73 Favored 'General case' 0 CA--C 1.531 0.226 0 CA-C-O 121.112 0.482 . . . . 0.0 111.484 -176.219 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 54.5 p -85.35 175.32 8.96 Favored 'General case' 0 N--CA 1.453 -0.32 0 C-N-CA 124.139 0.975 . . . . 0.0 110.774 -169.921 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 4.9 p -83.91 -10.84 57.68 Favored 'General case' 0 N--CA 1.45 -0.444 0 C-N-CA 123.892 0.877 . . . . 0.0 111.442 170.589 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -89.55 156.67 18.46 Favored 'General case' 0 N--CA 1.45 -0.463 0 CA-C-O 122.162 0.982 . . . . 0.0 113.007 -169.71 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 8.1 mptt -136.34 -44.62 0.62 Allowed 'General case' 0 N--CA 1.449 -0.483 0 CA-C-N 113.774 -1.557 . . . . 0.0 109.392 174.593 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 2.5 mp0 -39.25 104.9 0.04 OUTLIER 'General case' 0 C--O 1.237 0.404 0 C-N-CA 127.239 2.216 . . . . 0.0 109.658 -175.067 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 8.8 t -55.1 -37.86 67.38 Favored 'General case' 0 N--CA 1.448 -0.534 0 N-CA-C 112.962 0.727 . . . . 0.0 112.962 -168.044 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -63.43 -33.97 76.72 Favored 'General case' 0 CA--C 1.535 0.371 0 CA-C-N 119.503 1.047 . . . . 0.0 112.603 179.31 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -76.04 -49.46 17.49 Favored 'General case' 0 CA--C 1.531 0.233 0 CA-C-O 121.856 0.836 . . . . 0.0 109.416 175.478 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 33' ' ' ILE . . . . . . . . . . . . . 6.2 mm -54.34 -35.8 31.72 Favored 'Isoleucine or valine' 0 CA--C 1.547 0.839 0 C-N-CA 124.91 1.284 . . . . 0.0 111.574 177.828 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 3.4 m-80 -57.88 -44.95 87.02 Favored 'General case' 0 N--CA 1.462 0.156 0 C-N-CA 124.426 1.09 . . . . 0.0 112.089 169.818 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 42.5 mt-30 -68.03 -37.8 81.8 Favored 'General case' 0 N--CA 1.453 -0.315 0 O-C-N 121.808 -0.558 . . . . 0.0 109.881 178.298 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 21.7 mt -52.71 -53.36 21.07 Favored 'Isoleucine or valine' 0 C--N 1.341 0.237 0 N-CA-C 109.382 -0.599 . . . . 0.0 109.382 169.556 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 10.5 mt -57.28 -41.92 80.67 Favored 'General case' 0 CA--C 1.534 0.343 0 CA-C-N 118.983 0.81 . . . . 0.0 111.516 177.01 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -48.57 -51.25 22.92 Favored Glycine 0 CA--C 1.53 1.03 0 C-N-CA 123.955 0.788 . . . . 0.0 111.386 172.933 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 1.1 tmt_? -57.96 -62.81 1.54 Allowed 'General case' 0 N--CA 1.449 -0.5 0 O-C-N 121.901 -0.764 . . . . 0.0 109.68 171.993 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 81.5 mtt180 -57.63 -22.54 46.08 Favored 'General case' 0 C--O 1.231 0.122 0 C-N-CA 123.67 0.788 . . . . 0.0 112.78 -169.705 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 41' ' ' TRP . . . . . . . . . . . . . 65.6 t-105 -47.67 -42.11 23.99 Favored 'General case' 0 N--CA 1.452 -0.325 0 CA-C-N 118.866 0.757 . . . . 0.0 111.272 170.733 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 42' ' ' HIS . . . . . . . . . . . . . 74.2 m80 -60.98 -18.6 58.27 Favored 'General case' 0 N--CA 1.453 -0.289 0 C-N-CA 123.777 0.831 . . . . 0.0 112.734 -176.076 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -79.07 -18.47 53.35 Favored 'General case' 0 CA--C 1.534 0.335 0 CA-C-N 118.04 0.382 . . . . 0.0 111.578 176.718 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 36.1 mt -69.34 125.26 26.14 Favored 'General case' 0 N--CA 1.453 -0.28 0 CA-C-N 118.658 0.663 . . . . 0.0 110.472 -179.803 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 82.4 p -57.6 160.59 4.19 Favored 'General case' 0 CA--C 1.532 0.253 0 N-CA-C 109.455 -0.572 . . . . 0.0 109.455 169.349 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 41.8 ttm180 -48.87 -41.79 34.51 Favored 'General case' 0 CA--C 1.534 0.364 0 O-C-N 122.023 -0.423 . . . . 0.0 110.801 175.878 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 2.5 mp0 -63.42 -52.32 62.06 Favored 'General case' 0 N--CA 1.453 -0.308 0 C-N-CA 123.986 0.914 . . . . 0.0 111.033 178.387 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 34.2 mt-10 -56.59 -43.41 80.07 Favored 'General case' 0 CA--C 1.529 0.142 0 CA-C-O 119.641 -0.219 . . . . 0.0 110.668 177.361 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 73.7 mt-30 -56.72 -58.82 6.46 Favored 'General case' 0 N--CA 1.454 -0.256 0 N-CA-C 109.058 -0.719 . . . . 0.0 109.058 174.369 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -46.94 -43.62 19.23 Favored 'General case' 0 C--O 1.235 0.335 0 C-N-CA 124.064 0.946 . . . . 0.0 112.063 -179.119 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 8.1 pttt -46.48 -42.17 15.1 Favored 'General case' 0 CA--C 1.532 0.285 0 C-N-CA 123.254 0.622 . . . . 0.0 111.327 176.514 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 52' ' ' TYR . . . . . . . . . . . . . 44.0 m-85 -65.34 -34.78 79.13 Favored 'General case' 0 CA--C 1.515 -0.398 0 O-C-N 121.471 -0.768 . . . . 0.0 112.931 -179.63 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 53' ' ' TYR . . . . . . . . . . . . . 48.0 m-85 -72.98 -40.17 65.51 Favored 'General case' 0 N--CA 1.45 -0.427 0 N-CA-C 107.469 -1.308 . . . . 0.0 107.469 -177.928 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 80.3 mm-40 -54.12 -62.39 1.68 Allowed 'General case' 0 CA--C 1.536 0.411 0 N-CA-C 109.327 -0.62 . . . . 0.0 109.327 169.591 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 5.3 mp -47.94 -51.57 22.99 Favored 'General case' 0 C--O 1.226 -0.181 0 C-N-CA 124.49 1.116 . . . . 0.0 113.456 178.048 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.298 0 N-CA-C 109.497 -0.557 . . . . 0.0 109.497 177.89 . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 26.9 ptt? . . . . . 0 N--CA 1.451 -0.381 0 N-CA-C 108.428 -0.953 . . . . 0.0 108.428 . . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 2' ' ' HIS . . . . . . . . . . . . . 98.4 m-70 -70.56 85.44 0.62 Allowed 'General case' 0 N--CA 1.452 -0.331 0 N-CA-C 109.158 -0.682 . . . . 0.0 109.158 169.795 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . 57.5 mt -77.79 101.08 3.35 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.319 0 N-CA-C 106.27 -1.752 . . . . 0.0 106.27 -179.383 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -45.75 152.66 0.33 Allowed 'General case' 0 N--CA 1.452 -0.36 0 C-N-CA 127.116 2.166 . . . . 0.0 111.475 -178.515 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 11.0 mptt -55.99 147.0 46.37 Favored Pre-proline 0 CA--C 1.537 0.446 0 N-CA-C 108.64 -0.874 . . . . 0.0 108.64 171.929 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 61.0 Cg_endo -66.85 96.26 0.37 Allowed 'Trans proline' 0 N--CA 1.45 -1.069 0 C-N-CA 121.94 1.76 . . . . 0.0 109.628 171.941 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 9.7 mp -39.12 143.19 0.18 Allowed 'General case' 0 N--CA 1.465 0.324 0 C-N-CA 126.806 2.042 . . . . 0.0 112.428 176.715 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 6.1 p30 -98.87 179.34 4.67 Favored 'General case' 0 N--CA 1.449 -0.5 0 C-N-CA 124.535 1.134 . . . . 0.0 111.159 177.558 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -38.95 -63.39 0.53 Allowed 'General case' 0 N--CA 1.45 -0.431 0 C-N-CA 126.789 2.035 . . . . 0.0 113.683 -178.89 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 10' ' ' PHE . . . . . . . . . . . . . 5.3 m-85 -68.3 -23.54 64.75 Favored 'General case' 0 N--CA 1.455 -0.223 0 O-C-N 121.487 -0.758 . . . . 0.0 111.333 -169.507 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 11' ' ' MET . . . . . . . . . . . . . 58.2 mmm -69.29 -38.57 78.38 Favored 'General case' 0 N--CA 1.451 -0.377 0 N-CA-C 109.16 -0.682 . . . . 0.0 109.16 179.209 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 70.1 mt -68.31 -44.08 76.22 Favored 'General case' 0 CA--C 1.519 -0.239 0 O-C-N 121.762 -0.586 . . . . 0.0 110.031 172.515 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 12.1 t80 -55.46 -44.57 76.53 Favored 'General case' 0 C--N 1.339 0.125 0 C-N-CA 119.858 -0.737 . . . . 0.0 109.815 179.346 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 14' ' ' MET . . . . . . . . . . . . . 32.5 ttm -54.2 -62.74 1.46 Allowed 'General case' 0 N--CA 1.449 -0.489 0 C-N-CA 123.494 0.718 . . . . 0.0 110.144 169.909 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 15.9 mmtt -45.1 -43.5 9.72 Favored 'General case' 0 CA--C 1.537 0.451 0 CA-C-N 118.728 0.695 . . . . 0.0 112.173 -177.511 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 47.1 mt-10 -71.44 -66.09 0.67 Allowed 'General case' 0 CA--C 1.538 0.494 0 C-N-CA 123.343 0.657 . . . . 0.0 112.061 178.182 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 17' ' ' MET . . . . . . . . . . . . . 6.5 mtp -79.83 -32.18 40.59 Favored 'General case' 0 C--O 1.226 -0.149 0 N-CA-C 114.1 1.148 . . . . 0.0 114.1 -169.013 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 7.1 tmm_? -54.95 -43.21 73.2 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 118.829 0.74 . . . . 0.0 111.139 -172.916 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -52.8 -49.43 65.64 Favored 'General case' 0 CA--C 1.534 0.329 0 O-C-N 122.054 -0.404 . . . . 0.0 110.704 173.078 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 20' ' ' ASN . . . . . . . . . . . . . 2.7 t30 -59.94 -48.51 81.39 Favored 'General case' 0 C--O 1.224 -0.272 0 C-N-CA 122.608 0.363 . . . . 0.0 110.08 176.902 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 70.5 t -52.71 -51.45 35.53 Favored 'Isoleucine or valine' 0 C--N 1.333 -0.112 0 CA-C-N 118.776 0.716 . . . . 0.0 110.328 177.493 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 44.8 t -63.05 -38.0 80.87 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.374 0 C-N-CA 122.892 0.477 . . . . 0.0 110.184 -177.098 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -65.29 -45.39 84.58 Favored 'General case' 0 CA--C 1.536 0.424 0 O-C-N 121.958 -0.464 . . . . 0.0 111.911 175.062 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 25.6 mm-40 -73.5 -53.44 10.6 Favored 'General case' 0 CA--C 1.531 0.221 0 C-N-CA 124.205 1.002 . . . . 0.0 111.307 -173.724 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 51.4 p -82.87 177.52 8.61 Favored 'General case' 0 N--CA 1.452 -0.353 0 C-N-CA 123.804 0.842 . . . . 0.0 110.651 -172.498 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 5.0 p -84.09 -10.46 57.8 Favored 'General case' 0 N--CA 1.448 -0.54 0 C-N-CA 123.912 0.885 . . . . 0.0 111.538 170.417 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -90.23 155.94 18.65 Favored 'General case' 0 N--CA 1.451 -0.409 0 CA-C-O 122.196 0.998 . . . . 0.0 112.989 -169.722 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 7.9 mptt -137.08 -42.39 0.57 Allowed 'General case' 0 N--CA 1.45 -0.461 0 CA-C-N 113.683 -1.599 . . . . 0.0 109.14 173.966 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 2.8 mp0 -39.26 106.29 0.05 Allowed 'General case' 0 C--O 1.235 0.335 0 C-N-CA 127.331 2.252 . . . . 0.0 110.125 -177.253 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 10.8 t -53.58 -47.6 69.98 Favored 'General case' 0 C--O 1.22 -0.47 0 CA-C-N 116.116 -0.493 . . . . 0.0 112.006 -168.625 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -56.8 -38.48 72.61 Favored 'General case' 0 CA--C 1.535 0.369 0 CA-C-N 119.985 1.266 . . . . 0.0 113.161 -178.3 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -71.07 -50.94 28.44 Favored 'General case' 0 CA--C 1.531 0.219 0 CA-C-O 121.798 0.809 . . . . 0.0 109.498 175.642 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 33' ' ' ILE . . . . . . . . . . . . . 6.7 mm -53.33 -34.94 23.37 Favored 'Isoleucine or valine' 0 CA--C 1.546 0.792 0 C-N-CA 124.814 1.246 . . . . 0.0 112.059 178.847 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 82.3 m-20 -74.98 -36.11 62.03 Favored 'General case' 0 C--N 1.329 -0.286 0 O-C-N 120.568 -1.332 . . . . 0.0 109.8 -179.075 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 39.1 mt-30 -64.5 -37.88 89.07 Favored 'General case' 0 CA--C 1.533 0.292 0 O-C-N 121.708 -0.62 . . . . 0.0 109.351 169.278 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 22.0 mt -55.01 -49.88 67.69 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.327 0 CA-C-O 117.979 -1.01 . . . . 0.0 109.651 169.522 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 4.5 mm? -53.07 -45.16 68.01 Favored 'General case' 0 N--CA 1.469 0.49 0 CA-C-N 120.682 1.583 . . . . 0.0 110.566 174.5 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -47.62 -54.94 10.05 Favored Glycine 0 CA--C 1.533 1.172 0 C-N-CA 123.699 0.666 . . . . 0.0 112.036 172.361 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -55.58 -52.82 62.46 Favored 'General case' 0 N--CA 1.45 -0.435 0 O-C-N 121.441 -1.035 . . . . 0.0 110.257 174.261 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 4.8 mmp_? -59.29 -28.56 66.87 Favored 'General case' 0 N--CA 1.454 -0.272 0 C-N-CA 123.513 0.725 . . . . 0.0 110.208 -171.821 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 41' ' ' TRP . . . . . . . . . . . . . 56.7 t-105 -52.51 -38.52 59.76 Favored 'General case' 0 N--CA 1.452 -0.335 0 O-C-N 121.897 -0.502 . . . . 0.0 111.224 175.312 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 42' ' ' HIS . . . . . . . . . . . . . 51.7 m80 -61.3 -19.69 62.06 Favored 'General case' 0 N--CA 1.453 -0.292 0 C-N-CA 123.649 0.78 . . . . 0.0 112.076 -177.189 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -79.44 -19.16 50.6 Favored 'General case' 0 CA--C 1.534 0.364 0 C-N-CA 122.701 0.4 . . . . 0.0 112.043 176.486 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 26.8 mt -73.96 122.35 22.45 Favored 'General case' 0 N--CA 1.454 -0.255 0 CA-C-N 118.796 0.725 . . . . 0.0 111.077 -174.787 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 79.4 p -59.1 158.93 7.97 Favored 'General case' 0 CA--C 1.532 0.265 0 N-CA-C 109.047 -0.723 . . . . 0.0 109.047 168.99 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 41.6 ptt180 -50.75 -36.85 38.72 Favored 'General case' 0 CA--C 1.536 0.411 0 O-C-N 121.787 -0.57 . . . . 0.0 111.797 179.141 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 59.1 mp0 -67.0 -49.94 63.78 Favored 'General case' 0 N--CA 1.453 -0.322 0 C-N-CA 123.292 0.637 . . . . 0.0 110.756 177.559 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 36.8 mt-10 -56.2 -43.2 78.24 Favored 'General case' 0 C--O 1.227 -0.124 0 O-C-N 122.256 -0.277 . . . . 0.0 110.458 175.694 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 73.3 mt-30 -56.65 -59.2 5.36 Favored 'General case' 0 N--CA 1.455 -0.197 0 N-CA-C 109.094 -0.706 . . . . 0.0 109.094 174.334 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -46.93 -43.61 19.17 Favored 'General case' 0 C--O 1.235 0.301 0 C-N-CA 123.734 0.813 . . . . 0.0 112.239 -179.439 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -47.59 -40.14 18.51 Favored 'General case' 0 CA--C 1.533 0.3 0 C-N-CA 122.948 0.499 . . . . 0.0 111.524 177.29 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 52' ' ' TYR . . . . . . . . . . . . . 38.6 m-85 -64.73 -35.4 80.95 Favored 'General case' 0 CA--C 1.514 -0.413 0 O-C-N 121.502 -0.748 . . . . 0.0 112.904 179.505 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 53' ' ' TYR . . . . . . . . . . . . . 41.2 m-85 -72.0 -42.54 66.3 Favored 'General case' 0 N--CA 1.45 -0.44 0 N-CA-C 107.031 -1.47 . . . . 0.0 107.031 -176.515 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 43.1 mt-10 -53.84 -64.16 0.92 Allowed 'General case' 0 CA--C 1.536 0.41 0 C-N-CA 122.714 0.405 . . . . 0.0 110.253 170.045 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 4.6 mp -46.02 -52.52 11.71 Favored 'General case' 0 N--CA 1.462 0.15 0 C-N-CA 124.562 1.145 . . . . 0.0 113.092 176.585 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -50.13 -51.13 45.79 Favored 'General case' 0 N--CA 1.452 -0.369 0 N-CA-C 108.588 -0.893 . . . . 0.0 108.588 176.785 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 7.5 mmt-85 -64.16 -36.09 82.93 Favored 'General case' 0 CA--C 1.538 0.493 0 N-CA-C 112.075 0.398 . . . . 0.0 112.075 179.147 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 69.4 mmtt -57.72 -51.88 67.73 Favored 'General case' 0 N--CA 1.463 0.206 0 O-C-N 120.966 -1.084 . . . . 0.0 109.927 173.921 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 43.8 mm-40 -57.3 -40.55 78.06 Favored 'General case' 0 CA--C 1.533 0.302 0 CA-C-O 120.774 0.321 . . . . 0.0 110.99 176.287 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 60' ' ' ARG . . . . . . . . . . . . . 2.8 ttm-85 -58.77 -47.9 83.11 Favored 'General case' 0 C--O 1.235 0.313 0 C-N-CA 124.616 1.167 . . . . 0.0 109.484 -179.402 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 61' ' ' GLN . . . . . . . . . . . . . 31.3 mt-30 -65.13 -44.08 89.85 Favored 'General case' 0 N--CA 1.454 -0.229 0 C-N-CA 123.841 0.857 . . . . 0.0 110.555 175.973 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 37.6 tp -53.3 -54.56 34.64 Favored 'General case' 0 C--O 1.223 -0.293 0 CA-C-N 118.783 0.719 . . . . 0.0 109.102 176.133 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 63' ' ' HIS . . . . . . . . . . . . . 0.8 OUTLIER -42.08 -55.59 3.15 Favored 'General case' 0 CA--C 1.535 0.373 0 C-N-CA 124.322 1.049 . . . . 0.0 111.759 169.557 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 64' ' ' MET . . . . . . . . . . . . . 91.7 mmm -60.79 -31.27 70.65 Favored 'General case' 0 CA--C 1.537 0.45 0 N-CA-C 113.241 0.83 . . . . 0.0 113.241 178.3 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 65' ' ' GLN . . . . . . . . . . . . . 15.9 mt-30 -78.34 -53.04 7.72 Favored 'General case' 0 C--N 1.334 -0.095 0 O-C-N 121.222 -0.924 . . . . 0.0 109.129 -176.875 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 71.8 mt -58.17 -40.78 82.3 Favored 'General case' 0 N--CA 1.451 -0.392 0 C-N-CA 124.111 0.964 . . . . 0.0 110.483 176.755 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 67' ' ' TYR . . . . . . . . . . . . . 45.9 m-85 -136.05 83.17 34.52 Favored Pre-proline 0 CA--C 1.537 0.46 0 C-N-CA 123.524 0.73 . . . . 0.0 110.938 -175.59 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 68' ' ' PRO . . . . . . . . . . . . . 83.2 Cg_exo -46.09 103.92 0.06 OUTLIER 'Trans proline' 0 N--CA 1.457 -0.657 0 C-N-CA 124.735 3.623 . . . . 0.0 113.141 177.789 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . 71.52 25.23 75.66 Favored Glycine 0 C--N 1.335 0.521 0 CA-C-O 118.967 -0.907 . . . . 0.0 113.237 176.659 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 70' ' ' TRP . . . . . . . . . . . . . 62.5 t-105 -61.18 113.52 2.63 Favored 'General case' 0 N--CA 1.448 -0.542 0 C-N-CA 118.251 -1.379 . . . . 0.0 109.144 170.097 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 46.3 m -81.72 134.19 35.43 Favored 'General case' 0 N--CA 1.444 -0.746 0 N-CA-C 107.033 -1.469 . . . . 0.0 107.033 -179.523 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -39.86 -47.32 2.13 Favored 'General case' 0 C--N 1.329 -0.312 0 N-CA-C 117.637 2.458 . . . . 0.0 117.637 -168.77 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 73' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -55.67 73.55 0.0 OUTLIER 'General case' 0 CA--C 1.537 0.45 0 N-CA-C 116.077 1.88 . . . . 0.0 116.077 -170.416 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 74' ' ' ASP . . . . . . . . . . . . . 8.1 p-10 -90.18 -20.33 23.18 Favored 'General case' 0 N--CA 1.455 -0.219 0 C-N-CA 125.503 1.521 . . . . 0.0 111.41 172.158 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 75' ' ' ASN . . . . . . . . . . . . . 48.9 m-80 -152.59 20.93 0.62 Allowed 'General case' 0 CA--C 1.535 0.394 0 C-N-CA 124.381 1.072 . . . . 0.0 111.589 -178.756 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 76' ' ' TYR . . . . . . . . . . . . . 24.0 t80 -58.04 123.58 16.38 Favored 'General case' 0 CA--C 1.533 0.324 0 O-C-N 121.298 -0.876 . . . . 0.0 110.663 -173.856 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 69.78 21.82 76.67 Favored Glycine 0 CA--C 1.531 1.091 0 CA-C-O 118.718 -1.045 . . . . 0.0 114.037 -178.652 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 47.1 mmtm -89.45 -48.3 7.42 Favored 'General case' 0 N--CA 1.463 0.206 0 CA-C-N 119.341 1.57 . . . . 0.0 110.566 173.69 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 17.3 mttm -69.46 139.47 53.97 Favored 'General case' 0 CA--C 1.533 0.289 0 N-CA-C 106.966 -1.494 . . . . 0.0 106.966 168.913 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 66.9 mttm -61.25 -52.32 65.23 Favored 'General case' 0 CA--C 1.533 0.301 0 CA-C-N 118.054 0.388 . . . . 0.0 110.287 175.695 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 15.0 ttpp 71.14 143.36 0.06 Allowed 'General case' 0 CA--C 1.534 0.337 0 C-N-CA 126.75 2.02 . . . . 0.0 112.582 -177.392 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 82' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -95.4 173.77 7.36 Favored 'General case' 0 CA--C 1.531 0.249 0 C-N-CA 125.519 1.527 . . . . 0.0 108.658 172.454 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . 3.6 mptp? 60.99 -59.67 0.09 Allowed 'General case' 0 CA--C 1.537 0.452 0 C-N-CA 128.694 2.798 . . . . 0.0 111.322 -174.08 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 84' ' ' ARG . . . . . . . . . . . . . 7.7 mtp-105 72.38 -73.96 0.09 Allowed 'General case' 0 N--CA 1.453 -0.296 0 C-N-CA 126.197 1.799 . . . . 0.0 110.48 168.958 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 37.8 mt-10 -81.4 64.65 6.21 Favored 'General case' 0 N--CA 1.451 -0.403 0 C-N-CA 123.745 0.818 . . . . 0.0 108.896 178.101 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 49.6 pttt . . . . . 0 CA--C 1.532 0.288 0 O-C-N 121.861 -0.524 . . . . 0.0 110.897 -174.444 . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' B' B ' 1' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.531 2.493 2 O4'-C1'-N19 111.527 4.658 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 2' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.536 3.083 0 P-O3'-C3' 123.499 3.166 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' B' B ' 3' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.416 -2.723 0 P-O3'-C3' 123.271 2.976 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' B' B ' 4' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.409 -3.319 0 O4'-C4'-C3' 107.835 2.235 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' B' B ' 5' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.406 -3.666 0 P-O3'-C3' 122.591 2.409 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' B' B ' 6' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.406 -3.619 0 C5'-C4'-O4' 113.774 2.734 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' B' B ' 7' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.416 -2.716 0 C4'-C3'-C2' 100.157 -3.043 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' B' B ' 8' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.406 -3.665 0 C3'-C2'-C1' 106.645 2.818 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' B' B ' 9' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.413 -2.987 0 P-O3'-C3' 122.967 2.723 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' B' B ' 10' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.413 -3.035 0 P-O3'-C3' 123.315 3.013 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' B' B ' 11' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.415 -2.779 2 O4'-C1'-N19 111.912 5.139 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 12' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.534 2.857 0 C4'-C3'-C2' 99.993 -3.207 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' B' B ' 13' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.416 -2.768 0 N19-C1'-C2' 109.137 -3.165 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' B' B ' 14' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.414 -2.899 0 O4'-C1'-N19 110.508 3.385 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' B' B ' 15' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.411 -3.189 0 O4'-C1'-N19 109.973 2.716 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' C' C ' 1' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.415 -2.783 1 O4'-C1'-N19 112.117 5.397 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' C' C ' 2' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.532 2.594 0 O4'-C1'-N19 110.197 2.996 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' C' C ' 3' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.415 -2.85 2 O4'-C1'-N19 115.324 9.405 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' C' C ' 4' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.534 2.88 0 O4'-C1'-N19 110.024 2.779 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' C' C ' 5' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.417 -2.625 0 P-O3'-C3' 122.624 2.437 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' C' C ' 6' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.415 -2.805 0 O4'-C1'-C2' 102.271 -3.481 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' C' C ' 7' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.408 -3.416 0 O4'-C4'-C3' 109.204 3.604 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' C' C ' 8' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.406 -3.651 0 C4'-C3'-C2' 99.202 -3.998 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' C' C ' 9' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.411 -3.182 0 C5'-C4'-C3' 110.904 -2.531 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' C' C ' 10' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.416 -2.697 1 O4'-C1'-N19 111.692 4.865 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' C' C ' 11' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.415 -2.832 0 O4'-C1'-C2' 103.393 -2.461 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' C' C ' 12' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.531 2.515 0 O3'-P-O5' 97.893 -3.214 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' C' C ' 13' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.416 -2.761 0 O4'-C1'-N19 110.671 3.589 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' C' C ' 14' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.413 -2.98 0 O4'-C1'-C2' 102.827 -2.976 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' C' C ' 15' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.417 -2.618 1 O4'-C1'-N19 111.217 4.272 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 89.0 mtp . . . . . 0 N--CA 1.451 -0.386 0 N-CA-C 108.357 -0.979 . . . . 0.0 108.357 . . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 2' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER -124.85 113.17 17.53 Favored 'General case' 0 N--CA 1.454 -0.229 0 C-N-CA 124.267 1.027 . . . . 0.0 108.427 173.594 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . 10.9 mt -79.93 131.09 34.95 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.471 0 C-N-CA 123.915 0.886 . . . . 0.0 109.18 -178.965 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -69.63 121.52 17.29 Favored 'General case' 0 N--CA 1.448 -0.533 0 N-CA-C 109.035 -0.728 . . . . 0.0 109.035 173.446 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 1.7 mptm? -62.35 165.25 9.26 Favored Pre-proline 0 CA--C 1.534 0.348 0 C-N-CA 124.055 0.942 . . . . 0.0 110.976 179.828 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 74.0 Cg_exo -59.67 84.38 0.06 OUTLIER 'Trans proline' 0 N--CA 1.452 -0.936 0 C-N-CA 123.051 2.5 . . . . 0.0 110.34 168.065 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 9.3 mp -39.74 111.4 0.19 Allowed 'General case' 0 C--O 1.231 0.116 0 C-N-CA 124.842 1.257 . . . . 0.0 111.981 174.063 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 5.0 p30 -66.8 172.17 4.59 Favored 'General case' 0 N--CA 1.442 -0.852 0 CA-C-O 122.702 1.239 . . . . 0.0 111.316 175.494 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -38.84 -56.89 1.3 Allowed 'General case' 0 N--CA 1.442 -0.86 0 C-N-CA 126.824 2.05 . . . . 0.0 113.425 -178.671 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 10' ' ' PHE . . . . . . . . . . . . . 5.0 m-85 -69.59 -26.43 64.45 Favored 'General case' 0 N--CA 1.451 -0.377 0 O-C-N 121.563 -0.711 . . . . 0.0 111.223 -171.253 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 11' ' ' MET . . . . . . . . . . . . . 56.8 mmm -69.84 -42.61 73.37 Favored 'General case' 0 N--CA 1.453 -0.28 0 N-CA-C 108.645 -0.872 . . . . 0.0 108.645 -179.98 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 45.4 mt -63.79 -44.54 93.04 Favored 'General case' 0 N--CA 1.456 -0.166 0 O-C-N 121.842 -0.536 . . . . 0.0 109.587 173.75 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 23.3 t80 -54.37 -46.44 73.03 Favored 'General case' 0 C--N 1.341 0.208 0 N-CA-C 109.549 -0.537 . . . . 0.0 109.549 178.903 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 14' ' ' MET . . . . . . . . . . . . . 31.6 ttm -53.85 -59.96 3.95 Favored 'General case' 0 N--CA 1.448 -0.542 0 C-N-CA 123.253 0.621 . . . . 0.0 110.3 171.33 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 31.6 mttt -48.36 -44.17 34.27 Favored 'General case' 0 CA--C 1.534 0.356 0 CA-C-N 119.205 0.911 . . . . 0.0 112.136 -177.549 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 45.4 mt-10 -69.35 -62.17 1.49 Allowed 'General case' 0 CA--C 1.536 0.432 0 C-N-CA 122.844 0.458 . . . . 0.0 111.883 179.578 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 17' ' ' MET . . . . . . . . . . . . . 6.6 mtp -84.7 -30.27 24.93 Favored 'General case' 0 C--O 1.226 -0.144 0 N-CA-C 114.628 1.344 . . . . 0.0 114.628 -169.08 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 7.1 tmm_? -56.92 -43.91 81.92 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-N 119.112 0.869 . . . . 0.0 111.466 -171.708 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -52.7 -47.25 67.37 Favored 'General case' 0 CA--C 1.534 0.339 0 O-C-N 121.74 -0.6 . . . . 0.0 110.603 172.848 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 20' ' ' ASN . . . . . . . . . . . . . 5.8 t30 -61.9 -45.98 91.39 Favored 'General case' 0 N--CA 1.453 -0.301 0 CA-C-O 119.545 -0.264 . . . . 0.0 110.476 177.503 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 72.5 t -53.79 -51.39 44.69 Favored 'Isoleucine or valine' 0 C--O 1.227 -0.088 0 CA-C-N 118.827 0.74 . . . . 0.0 110.481 175.677 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 51.0 t -60.73 -36.73 72.99 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.38 0 N-CA-C 109.701 -0.481 . . . . 0.0 109.701 -178.33 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -65.02 -46.68 80.33 Favored 'General case' 0 CA--C 1.539 0.532 0 O-C-N 121.879 -0.513 . . . . 0.0 112.267 172.93 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 60.7 mt-10 -66.14 -57.71 7.04 Favored 'General case' 0 CA--C 1.531 0.229 0 CA-C-O 121.632 0.729 . . . . 0.0 111.622 -177.742 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 53.2 p -83.97 173.14 11.42 Favored 'General case' 0 N--CA 1.448 -0.545 0 C-N-CA 125.109 1.364 . . . . 0.0 111.466 -168.695 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 9.6 p -81.73 -9.8 59.54 Favored 'General case' 0 N--CA 1.448 -0.531 0 C-N-CA 123.472 0.709 . . . . 0.0 111.13 169.777 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -87.21 159.43 18.84 Favored 'General case' 0 N--CA 1.45 -0.457 0 CA-C-O 122.535 1.16 . . . . 0.0 112.731 -170.041 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 8.4 mptt -142.07 -45.97 0.34 Allowed 'General case' 0 N--CA 1.447 -0.58 0 CA-C-N 113.176 -1.829 . . . . 0.0 108.783 176.066 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 46.7 mt-10 -39.65 103.97 0.03 OUTLIER 'General case' 0 C--N 1.344 0.353 0 C-N-CA 125.994 1.718 . . . . 0.0 109.68 -174.086 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 21.1 t -50.27 -47.14 55.46 Favored 'General case' 0 C--O 1.219 -0.514 0 O-C-N 123.977 0.798 . . . . 0.0 111.163 -168.852 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -52.02 -45.35 64.57 Favored 'General case' 0 CA--C 1.534 0.351 0 CA-C-N 119.022 0.828 . . . . 0.0 112.957 179.401 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -71.91 -48.69 43.75 Favored 'General case' 0 CA--C 1.533 0.326 0 CA-C-O 122.052 0.93 . . . . 0.0 109.615 179.288 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 33' ' ' ILE . . . . . . . . . . . . . 5.8 mm -51.2 -36.79 17.06 Favored 'Isoleucine or valine' 0 CA--C 1.543 0.697 0 C-N-CA 124.569 1.148 . . . . 0.0 111.542 176.841 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 82.1 m-20 -72.03 -30.95 65.7 Favored 'General case' 0 C--N 1.329 -0.294 0 O-C-N 120.589 -1.319 . . . . 0.0 110.362 -179.619 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 84.8 mt-30 -67.77 -39.71 84.1 Favored 'General case' 0 N--CA 1.454 -0.236 0 O-C-N 121.688 -0.633 . . . . 0.0 109.306 169.474 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 23.0 mt -54.36 -49.25 65.7 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.353 0 CA-C-O 118.606 -0.711 . . . . 0.0 110.095 170.117 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 4.3 mm? -54.31 -48.04 71.76 Favored 'General case' 0 CA--C 1.536 0.408 0 CA-C-N 119.965 1.257 . . . . 0.0 109.896 173.751 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -47.78 -50.28 20.52 Favored Glycine 0 CA--C 1.53 1.016 0 C-N-CA 123.467 0.556 . . . . 0.0 111.871 175.538 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -60.9 -56.87 16.01 Favored 'General case' 0 N--CA 1.446 -0.668 0 O-C-N 121.553 -0.969 . . . . 0.0 110.544 175.221 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 69.2 mtt180 -59.72 -30.13 68.6 Favored 'General case' 0 C--O 1.23 0.065 0 C-N-CA 122.767 0.427 . . . . 0.0 111.348 -169.418 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 41' ' ' TRP . . . . . . . . . . . . . 57.9 t-105 -44.18 -41.83 6.03 Favored 'General case' 0 N--CA 1.453 -0.313 0 C-N-CA 122.868 0.467 . . . . 0.0 112.04 171.004 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 42' ' ' HIS . . . . . . . . . . . . . 66.6 m80 -60.08 -20.35 57.7 Favored 'General case' 0 CA--C 1.534 0.328 0 C-N-CA 123.693 0.797 . . . . 0.0 112.618 -176.121 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -79.54 -18.78 51.09 Favored 'General case' 0 CA--C 1.535 0.379 0 C-N-CA 122.872 0.469 . . . . 0.0 112.068 176.373 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 37.7 mt -67.77 124.57 23.68 Favored 'General case' 0 CA--C 1.531 0.23 0 CA-C-N 118.958 0.799 . . . . 0.0 110.439 -178.206 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 80.3 p -57.51 159.97 4.54 Favored 'General case' 0 CA--C 1.531 0.227 0 N-CA-C 109.894 -0.41 . . . . 0.0 109.894 169.489 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 59.8 ttp180 -43.77 -46.4 7.65 Favored 'General case' 0 CA--C 1.533 0.326 0 C-N-CA 123.721 0.808 . . . . 0.0 110.992 173.02 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 49.5 mp0 -66.14 -48.93 69.21 Favored 'General case' 0 N--CA 1.452 -0.343 0 C-N-CA 123.59 0.756 . . . . 0.0 111.073 -178.681 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 35.2 mt-10 -56.02 -44.81 79.08 Favored 'General case' 0 C--O 1.226 -0.162 0 C-N-CA 120.858 -0.337 . . . . 0.0 110.526 175.764 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 71.6 mt-30 -56.98 -56.13 25.77 Favored 'General case' 0 N--CA 1.454 -0.235 0 N-CA-C 109.519 -0.549 . . . . 0.0 109.519 175.202 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -48.18 -44.16 32.36 Favored 'General case' 0 C--O 1.235 0.305 0 C-N-CA 123.471 0.708 . . . . 0.0 111.761 179.874 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -45.88 -44.02 14.13 Favored 'General case' 0 CA--C 1.53 0.206 0 C-N-CA 123.089 0.556 . . . . 0.0 111.07 176.306 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 52' ' ' TYR . . . . . . . . . . . . . 44.5 m-85 -63.74 -35.0 79.13 Favored 'General case' 0 N--CA 1.451 -0.412 0 N-CA-C 112.712 0.634 . . . . 0.0 112.712 -178.68 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 53' ' ' TYR . . . . . . . . . . . . . 83.8 m-85 -73.07 -39.88 65.51 Favored 'General case' 0 N--CA 1.451 -0.419 0 N-CA-C 108.465 -0.939 . . . . 0.0 108.465 -177.643 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 16.4 mm-40 -55.9 -59.04 5.45 Favored 'General case' 0 CA--C 1.534 0.359 0 N-CA-C 109.865 -0.42 . . . . 0.0 109.865 169.814 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 5.1 mp -46.31 -53.73 10.26 Favored 'General case' 0 C--O 1.226 -0.171 0 C-N-CA 123.772 0.829 . . . . 0.0 112.786 174.908 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -50.5 -48.09 57.07 Favored 'General case' 0 CA--C 1.532 0.285 0 N-CA-C 109.303 -0.629 . . . . 0.0 109.303 179.363 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 50.1 mtp180 -65.74 -39.04 90.7 Favored 'General case' 0 CA--C 1.539 0.523 0 N-CA-C 112.245 0.461 . . . . 0.0 112.245 177.387 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 28.9 mmtp -59.02 -52.12 67.12 Favored 'General case' 0 N--CA 1.462 0.142 0 O-C-N 120.74 -1.225 . . . . 0.0 109.628 176.212 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -55.53 -49.08 73.58 Favored 'General case' 0 CA--C 1.531 0.233 0 C-N-CA 123.781 0.832 . . . . 0.0 109.798 176.923 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 60' ' ' ARG . . . . . . . . . . . . . 80.3 ttt180 -52.03 -51.14 59.41 Favored 'General case' 0 CA--C 1.533 0.302 0 C-N-CA 124.004 0.922 . . . . 0.0 111.629 176.357 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 61' ' ' GLN . . . . . . . . . . . . . 30.8 mt-30 -64.28 -50.81 66.42 Favored 'General case' 0 CA--C 1.532 0.28 0 O-C-N 121.611 -0.681 . . . . 0.0 110.409 179.347 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 42.4 tp -48.37 -46.32 36.81 Favored 'General case' 0 CA--C 1.529 0.161 0 C-N-CA 123.83 0.852 . . . . 0.0 110.102 176.735 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 63' ' ' HIS . . . . . . . . . . . . . 5.7 t-80 -48.85 -37.03 18.29 Favored 'General case' 0 N--CA 1.453 -0.309 0 C-N-CA 124.868 1.267 . . . . 0.0 112.259 178.582 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 64' ' ' MET . . . . . . . . . . . . . 75.4 mmm -62.95 -34.43 77.46 Favored 'General case' 0 N--CA 1.456 -0.147 0 CA-C-N 118.087 0.403 . . . . 0.0 110.7 179.261 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 65' ' ' GLN . . . . . . . . . . . . . 14.5 mt-30 -79.17 -44.82 21.16 Favored 'General case' 0 N--CA 1.45 -0.427 0 N-CA-C 108.642 -0.873 . . . . 0.0 108.642 179.861 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 24.5 mt -53.21 -44.77 68.27 Favored 'General case' 0 CA--C 1.53 0.207 0 C-N-CA 122.563 0.345 . . . . 0.0 110.534 175.542 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 67' ' ' TYR . . . . . . . . . . . . . 97.4 m-85 -136.56 93.93 13.86 Favored Pre-proline 0 N--CA 1.452 -0.339 0 C-N-CA 123.752 0.821 . . . . 0.0 111.084 -174.085 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 68' ' ' PRO . . . . . . . . . . . . . 50.9 Cg_exo -54.93 -57.42 1.72 Allowed 'Trans proline' 0 N--CA 1.452 -0.936 0 C-N-CA 122.648 2.232 . . . . 0.0 108.948 169.188 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . -79.85 51.24 4.02 Favored Glycine 0 C--N 1.337 0.603 0 N-CA-C 111.021 -0.832 . . . . 0.0 111.021 170.048 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 70' ' ' TRP . . . . . . . . . . . . . 1.8 t90 -60.76 112.63 2.1 Favored 'General case' 0 N--CA 1.448 -0.541 0 N-CA-C 105.894 -1.891 . . . . 0.0 105.894 168.77 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 14.9 m -118.94 58.2 0.86 Allowed 'General case' 0 CA--C 1.536 0.417 0 C-N-CA 123.266 0.626 . . . . 0.0 112.683 -172.139 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -44.95 -44.24 9.66 Favored 'General case' 0 N--CA 1.475 0.775 0 CA-C-N 119.255 0.934 . . . . 0.0 111.339 178.599 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 73' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -62.07 -25.08 67.49 Favored 'General case' 0 N--CA 1.436 -1.15 0 CA-C-N 114.439 -1.255 . . . . 0.0 111.07 -169.647 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 74' ' ' ASP . . . . . . . . . . . . . 26.6 t70 -67.86 -34.88 77.55 Favored 'General case' 0 CA--C 1.531 0.216 0 O-C-N 121.995 -0.441 . . . . 0.0 111.286 174.098 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 75' ' ' ASN . . . . . . . . . . . . . 13.9 m120 -95.67 -29.11 14.48 Favored 'General case' 0 C--O 1.234 0.251 0 C-N-CA 123.714 0.806 . . . . 0.0 111.582 -170.919 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 76' ' ' TYR . . . . . . . . . . . . . 92.1 t80 -49.99 131.45 22.89 Favored 'General case' 0 N--CA 1.451 -0.421 0 CA-C-O 120.604 0.24 . . . . 0.0 111.301 176.723 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 80.22 -12.13 33.36 Favored Glycine 0 CA--C 1.531 1.057 0 CA-C-O 118.181 -1.344 . . . . 0.0 114.234 178.781 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 42.0 mmtm -80.06 -13.27 59.43 Favored 'General case' 0 CA--C 1.534 0.335 0 CA-C-N 120.049 1.924 . . . . 0.0 114.565 -169.555 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 87.8 mttt -62.88 139.78 58.76 Favored 'General case' 0 CA--C 1.533 0.314 0 CA-C-N 119.777 1.171 . . . . 0.0 107.998 169.469 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 93.9 mttt -80.11 53.48 1.74 Allowed 'General case' 0 CA--C 1.538 0.489 0 C-N-CA 124.124 0.97 . . . . 0.0 109.564 -178.549 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 20.5 ttmm -60.61 121.76 13.01 Favored 'General case' 0 CA--C 1.533 0.294 0 C-N-CA 124.504 1.121 . . . . 0.0 110.918 -169.871 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 82' ' ' ARG . . . . . . . . . . . . . 57.8 mtt85 -69.98 -41.9 73.82 Favored 'General case' 0 CA--C 1.531 0.241 0 C-N-CA 122.938 0.495 . . . . 0.0 111.579 179.951 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . 96.1 mttt -53.06 -67.97 0.21 Allowed 'General case' 0 CA--C 1.534 0.352 0 C-N-CA 123.009 0.523 . . . . 0.0 110.455 179.843 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 84' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER 62.09 70.04 0.6 Allowed 'General case' 0 N--CA 1.444 -0.75 0 C-N-CA 125.087 1.355 . . . . 0.0 108.951 179.664 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 4.8 mp0 -75.11 36.69 0.12 Allowed 'General case' 0 CA--C 1.534 0.359 0 C-N-CA 125.697 1.599 . . . . 0.0 111.436 -176.239 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 68.0 mttm . . . . . 0 N--CA 1.453 -0.276 0 O-C-N 121.88 -0.513 . . . . 0.0 109.891 170.808 . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' B' B ' 1' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.529 2.264 1 O4'-C1'-N19 111.929 5.162 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 2' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.414 -2.947 1 O4'-C1'-N19 111.75 4.937 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 3' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.417 -2.659 0 P-O3'-C3' 123.449 3.124 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' B' B ' 4' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.416 -2.709 0 P-O3'-C3' 123.341 3.034 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' B' B ' 5' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.409 -3.387 0 O4'-C1'-N19 110.23 3.037 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' B' B ' 6' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.408 -3.487 0 C5'-C4'-C3' 111.498 -2.134 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' B' B ' 7' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.417 -2.677 0 C4'-C3'-C2' 100.143 -3.057 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' B' B ' 8' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.414 -2.892 0 C3'-C2'-C1' 106.792 2.923 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' B' B ' 9' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.537 3.311 0 P-O3'-C3' 122.343 2.202 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' B' B ' 10' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.532 2.584 0 P-O3'-C3' 122.867 2.639 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' B' B ' 11' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.529 2.199 1 O4'-C1'-N19 112.848 6.31 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 12' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.409 -3.32 1 O4'-C4'-C3' 110.079 4.479 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 13' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.412 -3.052 0 O4'-C1'-N19 110.108 2.886 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' B' B ' 14' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.415 -2.783 0 O4'-C1'-N19 110.202 3.002 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' B' B ' 15' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.411 -3.194 0 O4'-C1'-N19 109.896 2.62 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' C' C ' 1' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.416 -2.723 1 O4'-C1'-N19 112.239 5.549 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' C' C ' 2' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.533 2.775 0 O4'-C1'-N19 110.344 3.18 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' C' C ' 3' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.415 -2.797 2 O4'-C1'-N19 114.876 8.845 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' C' C ' 4' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.535 2.951 0 O4'-C1'-N19 110.441 3.301 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' C' C ' 5' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.413 -3.042 0 P-O3'-C3' 122.566 2.388 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' C' C ' 6' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.415 -2.81 0 O4'-C1'-N19 110.925 3.906 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' C' C ' 7' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.416 -2.757 0 O4'-C4'-C3' 108.898 3.298 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' C' C ' 8' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.404 -3.777 1 C4'-C3'-C2' 98.536 -4.664 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' C' C ' 9' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.409 -3.357 0 C5'-C4'-C3' 111.092 -2.405 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' C' C ' 10' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.415 -2.841 1 O4'-C1'-N19 111.239 4.299 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' C' C ' 11' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.417 -2.641 0 O4'-C4'-C3' 108.012 2.412 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' C' C ' 12' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.537 3.232 0 O4'-C1'-N19 110.296 3.12 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' C' C ' 13' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.413 -2.999 0 O4'-C1'-N19 110.86 3.825 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' C' C ' 14' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.412 -3.127 0 O4'-C1'-N19 110.104 2.88 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' C' C ' 15' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.533 2.693 1 O4'-C1'-N19 111.205 4.256 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 36.2 tpp . . . . . 0 CA--C 1.532 0.286 0 CA-C-O 122.138 0.97 . . . . 0.0 109.011 . . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 2' ' ' HIS . . . . . . . . . . . . . 96.9 m-70 -72.52 81.67 1.08 Allowed 'General case' 0 N--CA 1.452 -0.326 0 CA-C-N 115.946 -0.57 . . . . 0.0 110.266 -179.469 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . 56.5 mt -77.39 101.09 3.11 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.386 0 N-CA-C 105.718 -1.956 . . . . 0.0 105.718 178.335 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -44.84 150.13 0.39 Allowed 'General case' 0 N--CA 1.451 -0.388 0 C-N-CA 126.981 2.112 . . . . 0.0 111.692 -177.47 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 6.4 mtpm? -72.37 153.73 92.02 Favored Pre-proline 0 N--CA 1.45 -0.449 0 C-N-CA 124.433 1.093 . . . . 0.0 108.346 -178.024 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 55.9 Cg_endo -62.79 127.08 19.58 Favored 'Trans proline' 0 N--CA 1.451 -0.995 0 C-N-CA 121.579 1.519 . . . . 0.0 109.386 176.944 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 18.5 mt -64.71 170.17 4.37 Favored 'General case' 0 N--CA 1.455 -0.198 0 CA-C-O 121.261 0.553 . . . . 0.0 110.821 176.766 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 3.3 p30 -130.53 177.37 7.42 Favored 'General case' 0 N--CA 1.45 -0.434 0 C-N-CA 123.809 0.844 . . . . 0.0 110.623 179.255 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -39.01 -62.26 0.65 Allowed 'General case' 0 N--CA 1.447 -0.585 0 C-N-CA 126.133 1.773 . . . . 0.0 113.109 -178.549 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 10' ' ' PHE . . . . . . . . . . . . . 5.5 m-85 -72.24 -25.63 61.7 Favored 'General case' 0 N--CA 1.453 -0.316 0 O-C-N 121.507 -0.746 . . . . 0.0 110.979 -171.007 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 11' ' ' MET . . . . . . . . . . . . . 61.5 mmm -66.82 -38.61 86.78 Favored 'General case' 0 CA--C 1.532 0.267 0 N-CA-C 109.135 -0.691 . . . . 0.0 109.135 176.772 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 68.3 mt -68.58 -45.09 72.96 Favored 'General case' 0 CA--C 1.522 -0.109 0 O-C-N 121.721 -0.612 . . . . 0.0 110.22 172.947 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 19.2 t80 -53.67 -46.06 70.5 Favored 'General case' 0 N--CA 1.465 0.288 0 N-CA-C 109.542 -0.54 . . . . 0.0 109.542 179.458 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 14' ' ' MET . . . . . . . . . . . . . 27.2 ttm -54.29 -64.59 0.78 Allowed 'General case' 0 N--CA 1.445 -0.683 0 C-N-CA 124.145 0.978 . . . . 0.0 110.117 170.189 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 18.1 mttt -44.22 -43.1 7.0 Favored 'General case' 0 CA--C 1.536 0.429 0 CA-C-N 119.775 1.171 . . . . 0.0 112.54 -177.587 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 47.7 mt-10 -72.16 -68.05 0.5 Allowed 'General case' 0 CA--C 1.537 0.478 0 C-N-CA 123.29 0.636 . . . . 0.0 112.043 178.481 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 17' ' ' MET . . . . . . . . . . . . . 15.4 mtp -81.49 -25.66 35.83 Favored 'General case' 0 N--CA 1.457 -0.109 0 N-CA-C 114.857 1.428 . . . . 0.0 114.857 -168.816 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 8.0 tmm_? -55.97 -41.81 75.31 Favored 'General case' 0 C--N 1.324 -0.509 0 CA-C-N 119.11 0.868 . . . . 0.0 111.201 -174.693 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -54.26 -47.94 71.73 Favored 'General case' 0 CA--C 1.532 0.264 0 O-C-N 122.019 -0.426 . . . . 0.0 110.662 172.022 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 20' ' ' ASN . . . . . . . . . . . . . 3.9 t30 -58.9 -50.86 72.44 Favored 'General case' 0 N--CA 1.453 -0.302 0 N-CA-C 109.739 -0.467 . . . . 0.0 109.739 176.423 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 78.3 t -50.2 -53.04 12.87 Favored 'Isoleucine or valine' 0 N--CA 1.46 0.037 0 CA-C-N 118.928 0.785 . . . . 0.0 110.472 177.617 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 55.5 t -59.02 -37.24 66.61 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.336 0 C-N-CA 122.718 0.407 . . . . 0.0 110.577 -178.888 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -66.23 -47.82 72.55 Favored 'General case' 0 CA--C 1.538 0.506 0 O-C-N 121.847 -0.533 . . . . 0.0 112.421 173.681 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 23.9 mt-10 -70.14 -52.44 23.54 Favored 'General case' 0 CA--C 1.53 0.186 0 O-C-N 121.805 -0.559 . . . . 0.0 111.45 -174.717 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 54.7 p -87.93 176.74 7.2 Favored 'General case' 0 N--CA 1.453 -0.322 0 C-N-CA 123.898 0.879 . . . . 0.0 111.077 -169.733 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 3.9 p -81.37 -12.91 58.84 Favored 'General case' 0 N--CA 1.447 -0.604 0 C-N-CA 123.797 0.839 . . . . 0.0 111.13 169.77 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 4.1 mm? -81.79 155.82 25.24 Favored 'General case' 0 N--CA 1.447 -0.616 0 CA-C-N 119.16 0.891 . . . . 0.0 113.17 -169.957 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 1.9 mptp? -141.22 -33.98 0.5 Allowed 'General case' 0 N--CA 1.454 -0.239 0 C-N-CA 125.784 1.634 . . . . 0.0 110.805 168.557 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 2.7 mp0 -52.89 110.6 0.54 Allowed 'General case' 0 N--CA 1.45 -0.47 0 C-N-CA 125.163 1.385 . . . . 0.0 108.067 -172.489 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 12.6 t -49.71 -50.67 43.1 Favored 'General case' 0 C--O 1.22 -0.486 0 O-C-N 123.601 0.563 . . . . 0.0 111.984 -168.38 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -55.18 -40.29 70.54 Favored 'General case' 0 CA--C 1.535 0.389 0 O-C-N 120.988 -1.07 . . . . 0.0 113.202 -178.946 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -69.17 -50.04 51.22 Favored 'General case' 0 CA--C 1.53 0.179 0 O-C-N 121.326 -0.859 . . . . 0.0 109.327 176.088 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 33' ' ' ILE . . . . . . . . . . . . . 8.7 mm -53.1 -34.24 21.07 Favored 'Isoleucine or valine' 0 CA--C 1.543 0.704 0 C-N-CA 125.083 1.353 . . . . 0.0 112.094 177.667 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 82.1 m-20 -76.92 -35.63 57.2 Favored 'General case' 0 C--N 1.33 -0.243 0 C-N-CA 124.586 1.154 . . . . 0.0 109.768 -178.167 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 37.9 mt-30 -66.54 -41.0 89.38 Favored 'General case' 0 CA--C 1.535 0.371 0 O-C-N 121.841 -0.537 . . . . 0.0 110.127 169.645 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 15.3 mt -51.0 -55.02 8.35 Favored 'Isoleucine or valine' 0 CA--C 1.531 0.24 0 N-CA-C 109.002 -0.74 . . . . 0.0 109.002 169.885 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 11.8 mt -56.3 -40.99 75.23 Favored 'General case' 0 CA--C 1.533 0.32 0 CA-C-N 118.804 0.729 . . . . 0.0 111.492 177.877 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -49.14 -51.8 24.45 Favored Glycine 0 CA--C 1.531 1.084 0 N-CA-C 111.183 -0.767 . . . . 0.0 111.183 171.374 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -58.75 -55.0 40.78 Favored 'General case' 0 N--CA 1.447 -0.601 0 O-C-N 121.559 -0.965 . . . . 0.0 110.497 173.304 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 31.0 mtp180 -63.74 -22.72 67.05 Favored 'General case' 0 C--N 1.334 -0.077 0 O-C-N 121.606 -0.684 . . . . 0.0 111.413 -169.607 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 41' ' ' TRP . . . . . . . . . . . . . 63.8 t-105 -50.3 -39.18 44.79 Favored 'General case' 0 N--CA 1.452 -0.344 0 O-C-N 121.607 -0.683 . . . . 0.0 111.259 170.271 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 42' ' ' HIS . . . . . . . . . . . . . 61.3 m80 -61.38 -17.63 54.97 Favored 'General case' 0 CA--C 1.532 0.285 0 C-N-CA 123.522 0.729 . . . . 0.0 112.467 -176.379 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -79.02 -18.95 52.68 Favored 'General case' 0 CA--C 1.534 0.365 0 CA-C-N 118.116 0.417 . . . . 0.0 111.78 176.063 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 22.4 mt -70.82 125.36 26.63 Favored 'General case' 0 CA--C 1.53 0.186 0 CA-C-N 118.803 0.729 . . . . 0.0 110.927 -177.445 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 83.7 p -58.34 160.82 4.85 Favored 'General case' 0 CA--C 1.533 0.3 0 N-CA-C 109.478 -0.564 . . . . 0.0 109.478 169.094 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 83.2 mtt85 -49.79 -40.58 42.05 Favored 'General case' 0 CA--C 1.534 0.341 0 O-C-N 122.022 -0.424 . . . . 0.0 111.026 176.45 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 2.4 mp0 -64.19 -52.24 59.87 Favored 'General case' 0 N--CA 1.453 -0.303 0 C-N-CA 123.935 0.894 . . . . 0.0 110.985 178.37 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 34.4 mt-10 -56.15 -43.82 78.65 Favored 'General case' 0 C--O 1.225 -0.206 0 CA-C-O 119.576 -0.249 . . . . 0.0 110.534 177.099 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 74.2 mt-30 -56.68 -59.0 5.67 Favored 'General case' 0 N--CA 1.453 -0.277 0 N-CA-C 109.23 -0.656 . . . . 0.0 109.23 174.316 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -47.18 -43.31 21.1 Favored 'General case' 0 CA--C 1.531 0.248 0 C-N-CA 124.0 0.92 . . . . 0.0 112.16 -178.182 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 12.9 pttt -47.12 -41.35 17.32 Favored 'General case' 0 CA--C 1.534 0.36 0 C-N-CA 122.684 0.394 . . . . 0.0 111.527 177.757 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 52' ' ' TYR . . . . . . . . . . . . . 46.6 m-85 -63.59 -33.9 76.62 Favored 'General case' 0 CA--C 1.517 -0.294 0 N-CA-C 112.768 0.655 . . . . 0.0 112.768 -179.36 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 53' ' ' TYR . . . . . . . . . . . . . 41.5 m-85 -72.53 -38.94 67.9 Favored 'General case' 0 N--CA 1.451 -0.394 0 N-CA-C 107.701 -1.222 . . . . 0.0 107.701 -176.452 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 43.9 mm-40 -58.51 -62.06 2.13 Favored 'General case' 0 CA--C 1.533 0.294 0 N-CA-C 109.681 -0.488 . . . . 0.0 109.681 169.705 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 5.2 mp -46.11 -51.25 14.28 Favored 'General case' 0 C--O 1.226 -0.177 0 C-N-CA 124.112 0.965 . . . . 0.0 113.349 177.801 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -52.21 -45.89 65.42 Favored 'General case' 0 C--N 1.329 -0.289 0 C-N-CA 122.608 0.363 . . . . 0.0 110.022 177.308 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 45.2 mtt85 -67.5 -36.82 81.81 Favored 'General case' 0 CA--C 1.535 0.381 0 O-C-N 121.983 -0.448 . . . . 0.0 111.62 177.404 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 70.6 mmtt -59.3 -46.85 87.44 Favored 'General case' 0 CA--C 1.532 0.28 0 CA-C-N 119.402 1.001 . . . . 0.0 110.71 172.551 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 29.7 mm-40 -58.97 -45.28 90.94 Favored 'General case' 0 CA--C 1.53 0.208 0 C-N-CA 123.286 0.634 . . . . 0.0 110.708 175.637 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 60' ' ' ARG . . . . . . . . . . . . . 71.4 ttt-85 -55.6 -52.93 62.1 Favored 'General case' 0 CA--C 1.535 0.401 0 C-N-CA 123.668 0.787 . . . . 0.0 110.629 175.608 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 61' ' ' GLN . . . . . . . . . . . . . 33.5 mt-30 -55.18 -52.55 62.98 Favored 'General case' 0 CA--C 1.528 0.132 0 C-N-CA 123.461 0.705 . . . . 0.0 109.828 177.486 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 43.4 tp -51.9 -55.89 17.43 Favored 'General case' 0 C--O 1.225 -0.23 0 N-CA-C 109.469 -0.567 . . . . 0.0 109.469 178.253 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 63' ' ' HIS . . . . . . . . . . . . . 59.9 t-80 -47.47 -53.53 13.95 Favored 'General case' 0 CA--C 1.532 0.267 0 C-N-CA 124.108 0.963 . . . . 0.0 110.747 177.147 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 64' ' ' MET . . . . . . . . . . . . . 85.1 mtp -61.67 -30.45 70.74 Favored 'General case' 0 CA--C 1.534 0.347 0 N-CA-C 112.951 0.723 . . . . 0.0 112.951 178.582 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 65' ' ' GLN . . . . . . . . . . . . . 16.1 mt-30 -78.17 -53.5 7.29 Favored 'General case' 0 CA--C 1.528 0.128 0 CA-C-N 119.145 0.884 . . . . 0.0 109.182 -178.351 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 74.9 mt -54.6 -39.49 67.91 Favored 'General case' 0 N--CA 1.454 -0.254 0 C-N-CA 124.366 1.066 . . . . 0.0 110.496 175.284 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 67' ' ' TYR . . . . . . . . . . . . . 76.6 m-85 -131.52 86.33 49.83 Favored Pre-proline 0 CA--C 1.538 0.49 0 C-N-CA 123.915 0.886 . . . . 0.0 110.069 -177.427 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 68' ' ' PRO . . . . . . . . . . . . . 49.4 Cg_exo -42.49 98.88 0.03 OUTLIER 'Trans proline' 0 N--CA 1.461 -0.433 1 C-N-CA 125.544 4.162 . . . . 0.0 114.196 -179.787 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . 62.81 24.39 66.48 Favored Glycine 0 C--N 1.336 0.572 0 CA-C-O 119.393 -0.671 . . . . 0.0 113.331 177.921 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 70' ' ' TRP . . . . . . . . . . . . . 59.0 t-105 -62.46 118.36 7.43 Favored 'General case' 0 N--CA 1.446 -0.659 0 C-N-CA 118.904 -1.118 . . . . 0.0 108.597 173.322 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 48.9 m -86.41 148.5 25.54 Favored 'General case' 0 N--CA 1.444 -0.732 0 CA-C-N 115.042 -0.981 . . . . 0.0 108.558 -173.384 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -47.37 -39.18 14.54 Favored 'General case' 0 CA--C 1.532 0.279 0 N-CA-C 116.962 2.208 . . . . 0.0 116.962 -168.887 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 73' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -65.38 70.29 0.04 OUTLIER 'General case' 0 CA--C 1.534 0.351 0 N-CA-C 115.272 1.582 . . . . 0.0 115.272 -172.001 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 74' ' ' ASP . . . . . . . . . . . . . 5.2 p-10 -88.12 -17.79 30.23 Favored 'General case' 0 CA--C 1.532 0.262 0 C-N-CA 124.701 1.2 . . . . 0.0 110.725 169.84 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 75' ' ' ASN . . . . . . . . . . . . . 36.3 m-80 -151.98 16.93 0.67 Allowed 'General case' 0 CA--C 1.534 0.33 0 C-N-CA 124.521 1.129 . . . . 0.0 111.474 178.062 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 76' ' ' TYR . . . . . . . . . . . . . 52.3 t80 -57.4 113.21 1.67 Allowed 'General case' 0 CA--C 1.533 0.296 0 CA-C-N 120.165 1.348 . . . . 0.0 112.479 -169.789 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 87.12 -18.26 37.39 Favored Glycine 0 CA--C 1.533 1.208 0 CA-C-O 118.615 -1.103 . . . . 0.0 113.663 -177.442 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 13.7 mptt -76.2 -22.14 55.64 Favored 'General case' 0 CA--C 1.531 0.213 0 CA-C-N 118.706 1.253 . . . . 0.0 112.806 -169.894 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 78.5 mttt -57.76 132.69 54.08 Favored 'General case' 0 CA--C 1.534 0.361 0 N-CA-C 106.754 -1.573 . . . . 0.0 106.754 169.535 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 61.7 mttp -79.2 61.46 3.32 Favored 'General case' 0 CA--C 1.533 0.312 0 C-N-CA 123.73 0.812 . . . . 0.0 109.285 -175.018 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 21.3 ttmm -56.59 100.56 0.05 OUTLIER 'General case' 0 N--CA 1.45 -0.444 0 C-N-CA 125.699 1.6 . . . . 0.0 111.813 -169.285 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 82' ' ' ARG . . . . . . . . . . . . . 38.3 mtp180 -50.52 -40.27 51.17 Favored 'General case' 0 CA--C 1.536 0.411 0 C-N-CA 124.12 0.968 . . . . 0.0 111.907 176.461 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . 68.7 mttm -53.23 -41.34 65.31 Favored 'General case' 0 CA--C 1.537 0.452 0 CA-C-N 118.239 0.472 . . . . 0.0 111.405 176.503 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 84' ' ' ARG . . . . . . . . . . . . . 56.8 ttp180 -75.31 -53.69 8.34 Favored 'General case' 0 CA--C 1.528 0.131 0 N-CA-C 108.248 -1.019 . . . . 0.0 108.248 177.1 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 41.7 mt-10 -78.22 57.55 1.88 Allowed 'General case' 0 CA--C 1.534 0.33 0 C-N-CA 124.953 1.301 . . . . 0.0 109.93 -179.339 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 95.0 mttt . . . . . 0 CA--C 1.53 0.191 0 C-N-CA 124.45 1.1 . . . . 0.0 111.078 -176.587 . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' B' B ' 1' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.528 2.18 1 O4'-C1'-N19 111.638 4.797 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 2' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.417 -2.612 1 O4'-C1'-N19 111.969 5.211 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 3' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.531 2.448 0 P-O3'-C3' 123.465 3.137 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' B' B ' 4' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.413 -2.994 0 P-O3'-C3' 123.544 3.203 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' B' B ' 5' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.41 -3.232 0 O4'-C1'-N19 110.752 3.69 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' B' B ' 6' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.409 -3.347 0 C5'-C4'-C3' 111.729 -1.981 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' B' B ' 7' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.417 -2.623 0 C4'-C3'-C2' 100.085 -3.115 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' B' B ' 8' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.409 -3.388 0 C3'-C2'-C1' 106.78 2.914 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' B' B ' 9' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.416 -2.716 0 P-O3'-C3' 123.335 3.029 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' B' B ' 10' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.421 -2.304 0 P-O3'-C3' 123.626 3.272 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' B' B ' 11' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.414 -2.901 3 O4'-C1'-N19 112.546 5.932 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 12' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.535 2.939 0 C5'-C4'-C3' 109.344 -3.57 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' B' B ' 13' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.413 -2.987 0 O4'-C4'-C3' 108.522 2.922 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' B' B ' 14' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.415 -2.851 0 O4'-C1'-N19 110.467 3.334 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' B' B ' 15' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.41 -3.267 0 O4'-C1'-N19 109.894 2.618 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' C' C ' 1' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.419 -2.451 0 O4'-C1'-N19 110.944 3.929 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' C' C ' 2' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.533 2.791 0 O4'-C1'-C2' 103.319 -2.529 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' C' C ' 3' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.415 -2.795 2 O4'-C1'-N19 114.661 8.577 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' C' C ' 4' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.533 2.762 0 O4'-C4'-C3' 108.058 2.458 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' C' C ' 5' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.412 -3.134 0 O4'-C1'-C2' 103.115 -2.714 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' C' C ' 6' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.412 -3.091 0 O4'-C1'-C2' 102.812 -2.989 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' C' C ' 7' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.409 -3.372 0 O4'-C4'-C3' 108.391 2.791 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' C' C ' 8' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.41 -3.288 1 C4'-C3'-C2' 97.517 -5.683 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' C' C ' 9' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.409 -3.405 0 O4'-C1'-N19 105.87 -2.413 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' C' C ' 10' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.414 -2.89 0 O4'-C1'-N19 110.959 3.949 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' C' C ' 11' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.533 2.75 1 O4'-C1'-N19 111.955 5.193 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' C' C ' 12' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.417 -2.617 0 O4'-C1'-N19 110.088 2.86 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' C' C ' 13' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.534 2.895 0 O4'-C1'-N19 110.64 3.55 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' C' C ' 14' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.413 -3.032 0 P-O3'-C3' 122.684 2.487 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' C' C ' 15' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.415 -2.819 1 O4'-C1'-N19 111.458 4.572 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 32.2 ttm . . . . . 0 N--CA 1.451 -0.397 0 N-CA-C 109.14 -0.689 . . . . 0.0 109.14 . . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 2' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER -71.77 67.54 0.59 Allowed 'General case' 0 CA--C 1.533 0.325 0 C-N-CA 123.203 0.601 . . . . 0.0 110.975 179.079 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . 60.2 mt -79.36 118.9 27.64 Favored 'Isoleucine or valine' 0 C--O 1.236 0.364 0 N-CA-C 105.837 -1.912 . . . . 0.0 105.837 169.168 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -43.28 129.65 4.84 Favored 'General case' 0 N--CA 1.451 -0.398 0 C-N-CA 125.375 1.47 . . . . 0.0 111.686 -176.066 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 11.7 mptt -61.98 158.16 46.12 Favored Pre-proline 0 N--CA 1.453 -0.288 0 C-N-CA 124.642 1.177 . . . . 0.0 109.984 -178.889 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 66.2 Cg_endo -65.55 88.1 0.21 Allowed 'Trans proline' 0 N--CA 1.451 -1.001 0 C-N-CA 122.32 2.014 . . . . 0.0 109.308 170.609 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 9.3 mp -39.45 121.16 1.15 Allowed 'General case' 0 C--O 1.231 0.112 0 C-N-CA 124.888 1.275 . . . . 0.0 112.61 176.036 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 6.5 p30 -78.2 -179.77 6.41 Favored 'General case' 0 N--CA 1.444 -0.773 0 CA-C-O 122.367 1.079 . . . . 0.0 111.825 179.824 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -38.89 -64.43 0.45 Allowed 'General case' 0 N--CA 1.446 -0.674 0 C-N-CA 126.859 2.064 . . . . 0.0 113.94 179.601 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 10' ' ' PHE . . . . . . . . . . . . . 5.8 m-85 -70.65 -25.96 63.24 Favored 'General case' 0 N--CA 1.456 -0.174 0 O-C-N 121.354 -0.841 . . . . 0.0 111.781 -169.324 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 11' ' ' MET . . . . . . . . . . . . . 69.3 mmm -63.69 -38.09 89.81 Favored 'General case' 0 CA--C 1.535 0.368 0 N-CA-C 109.082 -0.71 . . . . 0.0 109.082 176.503 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 51.7 mt -72.82 -44.24 61.69 Favored 'General case' 0 CA--C 1.52 -0.191 0 O-C-N 121.914 -0.491 . . . . 0.0 110.023 175.441 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 22.3 t80 -53.78 -47.71 70.49 Favored 'General case' 0 N--CA 1.465 0.286 0 N-CA-C 109.331 -0.618 . . . . 0.0 109.331 179.233 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 14' ' ' MET . . . . . . . . . . . . . 8.5 ttm -52.02 -66.43 0.39 Allowed 'General case' 0 N--CA 1.443 -0.804 0 C-N-CA 124.403 1.081 . . . . 0.0 109.619 169.904 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 16.1 mmtt -43.17 -44.93 5.34 Favored 'General case' 0 CA--C 1.537 0.443 0 CA-C-N 119.937 1.244 . . . . 0.0 112.657 -177.078 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 46.3 mt-10 -70.22 -66.51 0.59 Allowed 'General case' 0 CA--C 1.537 0.451 0 C-N-CA 123.137 0.575 . . . . 0.0 112.085 179.258 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 17' ' ' MET . . . . . . . . . . . . . 12.3 mtp -79.87 -27.55 40.06 Favored 'General case' 0 C--O 1.228 -0.077 0 N-CA-C 114.322 1.23 . . . . 0.0 114.322 -169.064 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 3.0 tmm_? -58.09 -36.05 72.3 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 121.432 -0.792 . . . . 0.0 111.449 -173.16 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -55.0 -49.41 71.58 Favored 'General case' 0 CA--C 1.533 0.324 0 O-C-N 121.733 -0.604 . . . . 0.0 110.582 170.283 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 20' ' ' ASN . . . . . . . . . . . . . 33.7 t30 -61.47 -46.39 90.26 Favored 'General case' 0 C--O 1.223 -0.327 0 N-CA-C 110.029 -0.36 . . . . 0.0 110.029 178.001 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 70.1 t -51.26 -54.24 12.11 Favored 'Isoleucine or valine' 0 CA--C 1.528 0.111 0 CA-C-N 118.493 0.588 . . . . 0.0 110.416 174.565 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 45.5 t -62.69 -36.33 74.74 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.385 0 C-N-CA 122.861 0.465 . . . . 0.0 110.473 -175.226 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -66.18 -47.26 74.53 Favored 'General case' 0 CA--C 1.536 0.409 0 O-C-N 122.016 -0.428 . . . . 0.0 111.822 174.114 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 9.9 mm-40 -70.29 -55.24 9.69 Favored 'General case' 0 CA--C 1.529 0.169 0 C-N-CA 124.578 1.151 . . . . 0.0 111.303 -174.006 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 54.3 p -83.63 171.72 13.0 Favored 'General case' 0 N--CA 1.452 -0.354 0 C-N-CA 123.996 0.918 . . . . 0.0 110.324 -172.913 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 8.6 p -78.8 -15.26 58.62 Favored 'General case' 0 N--CA 1.448 -0.562 0 C-N-CA 123.155 0.582 . . . . 0.0 111.435 170.848 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -84.4 156.97 21.57 Favored 'General case' 0 N--CA 1.449 -0.521 0 CA-C-O 122.025 0.917 . . . . 0.0 112.886 -169.453 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 1.5 mptp? -138.71 -40.23 0.5 Allowed 'General case' 0 N--CA 1.453 -0.319 0 C-N-CA 125.623 1.569 . . . . 0.0 109.846 172.613 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 2.8 mp0 -38.98 101.07 0.02 OUTLIER 'General case' 0 C--O 1.236 0.362 0 C-N-CA 127.222 2.209 . . . . 0.0 109.701 -177.173 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 7.7 t -50.48 -41.85 53.7 Favored 'General case' 0 N--CA 1.451 -0.383 0 N-CA-C 113.473 0.916 . . . . 0.0 113.473 -168.123 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -64.14 -33.88 76.78 Favored 'General case' 0 CA--C 1.535 0.4 0 CA-C-N 119.474 1.034 . . . . 0.0 112.865 -179.668 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -74.29 -48.61 27.38 Favored 'General case' 0 CA--C 1.529 0.157 0 O-C-N 121.292 -0.88 . . . . 0.0 109.155 174.812 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 33' ' ' ILE . . . . . . . . . . . . . 5.6 mm -54.02 -38.2 36.89 Favored 'Isoleucine or valine' 0 CA--C 1.544 0.739 0 C-N-CA 124.421 1.089 . . . . 0.0 111.516 178.441 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 4.6 m-80 -55.67 -43.55 76.46 Favored 'General case' 0 N--CA 1.463 0.191 0 O-C-N 121.121 -0.987 . . . . 0.0 111.939 171.23 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 41.8 mt-30 -69.27 -38.74 78.54 Favored 'General case' 0 N--CA 1.454 -0.235 0 O-C-N 121.741 -0.6 . . . . 0.0 110.127 178.855 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 23.3 mt -52.52 -50.62 39.0 Favored 'Isoleucine or valine' 0 C--N 1.342 0.247 0 N-CA-C 109.344 -0.613 . . . . 0.0 109.344 169.653 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 11.0 mt -60.31 -40.98 92.47 Favored 'General case' 0 CA--C 1.533 0.312 0 O-C-N 121.683 -0.635 . . . . 0.0 110.773 179.304 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -48.76 -52.36 20.87 Favored Glycine 0 CA--C 1.53 0.984 0 N-CA-C 111.114 -0.794 . . . . 0.0 111.114 170.288 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -57.27 -54.95 41.03 Favored 'General case' 0 N--CA 1.448 -0.572 0 O-C-N 121.511 -0.994 . . . . 0.0 110.456 173.217 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 91.7 mtt180 -62.02 -24.31 66.98 Favored 'General case' 0 C--O 1.23 0.074 0 O-C-N 121.763 -0.585 . . . . 0.0 111.329 -169.932 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 41' ' ' TRP . . . . . . . . . . . . . 64.7 t-105 -49.48 -39.64 34.44 Favored 'General case' 0 N--CA 1.453 -0.315 0 CA-C-N 118.712 0.687 . . . . 0.0 111.472 171.385 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 42' ' ' HIS . . . . . . . . . . . . . 65.9 m80 -61.5 -17.98 57.07 Favored 'General case' 0 N--CA 1.453 -0.296 0 C-N-CA 123.753 0.821 . . . . 0.0 112.563 -176.096 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -79.31 -18.61 52.28 Favored 'General case' 0 CA--C 1.535 0.377 0 CA-C-N 118.032 0.378 . . . . 0.0 111.909 176.1 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 21.5 mt -71.55 126.27 29.22 Favored 'General case' 0 CA--C 1.53 0.195 0 CA-C-N 118.805 0.73 . . . . 0.0 111.219 -175.943 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 81.6 p -58.29 161.22 4.47 Favored 'General case' 0 CA--C 1.531 0.244 0 N-CA-C 109.742 -0.466 . . . . 0.0 109.742 169.19 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 3.1 tmt_? -46.48 -47.29 19.29 Favored 'General case' 0 CA--C 1.534 0.339 0 C-N-CA 123.251 0.621 . . . . 0.0 109.977 174.438 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 2.7 mp0 -60.78 -52.69 64.02 Favored 'General case' 0 N--CA 1.453 -0.284 0 C-N-CA 123.87 0.868 . . . . 0.0 111.413 179.359 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 33.6 mt-10 -55.94 -43.44 77.42 Favored 'General case' 0 C--O 1.226 -0.16 0 CA-C-O 119.718 -0.182 . . . . 0.0 110.841 177.83 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 74.2 mt-30 -57.42 -58.85 6.44 Favored 'General case' 0 N--CA 1.454 -0.229 0 N-CA-C 109.13 -0.692 . . . . 0.0 109.13 174.857 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -48.49 -42.13 31.91 Favored 'General case' 0 C--O 1.234 0.284 0 C-N-CA 123.824 0.85 . . . . 0.0 112.203 -178.229 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 10.5 pttt -47.24 -40.36 16.28 Favored 'General case' 0 CA--C 1.533 0.289 0 C-N-CA 122.83 0.452 . . . . 0.0 111.406 177.026 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 52' ' ' TYR . . . . . . . . . . . . . 38.6 m-85 -64.32 -33.61 76.25 Favored 'General case' 0 CA--C 1.517 -0.322 0 O-C-N 121.396 -0.815 . . . . 0.0 113.152 -179.477 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 53' ' ' TYR . . . . . . . . . . . . . 31.4 m-85 -73.35 -40.16 64.64 Favored 'General case' 0 N--CA 1.451 -0.405 0 N-CA-C 107.151 -1.425 . . . . 0.0 107.151 -176.465 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 44.3 mt-10 -56.47 -60.46 3.49 Favored 'General case' 0 CA--C 1.535 0.393 0 CA-C-N 115.898 -0.592 . . . . 0.0 109.749 169.696 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 5.8 mp -46.95 -51.04 17.92 Favored 'General case' 0 C--O 1.226 -0.152 0 C-N-CA 124.531 1.132 . . . . 0.0 113.571 175.716 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -52.34 -48.77 65.3 Favored 'General case' 0 C--O 1.233 0.218 0 N-CA-C 109.017 -0.735 . . . . 0.0 109.017 177.567 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 23.1 mtp85 -61.04 -43.39 98.96 Favored 'General case' 0 C--O 1.219 -0.525 0 CA-C-O 118.41 -0.805 . . . . 0.0 112.196 173.622 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 31.7 mmtp -56.69 -47.39 79.98 Favored 'General case' 0 N--CA 1.465 0.292 0 CA-C-N 121.247 1.839 . . . . 0.0 110.986 178.124 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 36.2 mm-40 -55.61 -48.59 74.63 Favored 'General case' 0 CA--C 1.53 0.202 0 C-N-CA 122.924 0.49 . . . . 0.0 110.5 174.371 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 60' ' ' ARG . . . . . . . . . . . . . 42.8 ttt-85 -55.12 -53.5 55.12 Favored 'General case' 0 CA--C 1.539 0.539 0 C-N-CA 123.124 0.57 . . . . 0.0 111.652 176.2 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 61' ' ' GLN . . . . . . . . . . . . . 13.6 mm100 -58.49 -47.83 82.77 Favored 'General case' 0 N--CA 1.454 -0.251 0 C-N-CA 124.851 1.26 . . . . 0.0 109.458 -177.838 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 53.5 tp -52.78 -52.69 55.63 Favored 'General case' 0 N--CA 1.456 -0.163 0 N-CA-C 109.188 -0.671 . . . . 0.0 109.188 172.453 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 63' ' ' HIS . . . . . . . . . . . . . 1.9 t-80 -52.13 -41.5 62.55 Favored 'General case' 0 N--CA 1.454 -0.263 0 C-N-CA 124.395 1.078 . . . . 0.0 111.876 -178.516 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 64' ' ' MET . . . . . . . . . . . . . 93.0 mtp -54.8 -38.2 67.02 Favored 'General case' 0 CA--C 1.534 0.34 0 CA-C-N 118.5 0.591 . . . . 0.0 111.289 174.983 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 65' ' ' GLN . . . . . . . . . . . . . 24.0 mt-30 -78.45 -43.75 26.4 Favored 'General case' 0 N--CA 1.455 -0.204 0 N-CA-C 108.885 -0.783 . . . . 0.0 108.885 -177.122 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 31.8 mt -56.6 -44.74 81.42 Favored 'General case' 0 CA--C 1.533 0.29 0 N-CA-C 110.406 -0.22 . . . . 0.0 110.406 176.899 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 67' ' ' TYR . . . . . . . . . . . . . 98.7 m-85 -142.13 83.88 12.08 Favored Pre-proline 0 CA--C 1.532 0.263 0 C-N-CA 124.321 1.048 . . . . 0.0 110.605 -171.889 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 68' ' ' PRO . . . . . . . . . . . . . 71.9 Cg_exo -49.33 -48.97 16.77 Favored 'Trans proline' 0 N--CA 1.457 -0.672 0 C-N-CA 123.565 2.843 . . . . 0.0 111.443 173.823 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . -98.63 46.01 1.56 Allowed Glycine 0 C--N 1.338 0.67 0 C-N-CA 123.8 0.714 . . . . 0.0 111.564 174.148 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 70' ' ' TRP . . . . . . . . . . . . . 37.0 t90 -57.88 134.97 56.78 Favored 'General case' 0 N--CA 1.452 -0.358 0 N-CA-C 107.321 -1.363 . . . . 0.0 107.321 168.332 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 66.4 m -70.75 105.73 3.3 Favored 'General case' 0 N--CA 1.443 -0.822 0 C-N-CA 119.566 -0.854 . . . . 0.0 112.463 -179.42 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -60.86 132.8 55.04 Favored 'General case' 0 N--CA 1.446 -0.631 1 N-CA-C 99.459 -4.274 . . . . 0.0 99.459 164.002 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 73' ' ' ARG . . . . . 0.509 ' CD ' ' H ' ' A' ' 73' ' ' ARG 0.373 0.0 OUTLIER -33.1 69.28 0.0 OUTLIER 'General case' 0 C--N 1.318 -0.794 0 N-CA-C 121.179 3.77 . . . . 0.0 121.179 -160.538 . . . . . . . . 4 4 . 1 . 004 nuclear orig full ' A' A ' 74' ' ' ASP . . . . . . . . . . . . . 16.9 t70 -59.98 -24.7 64.64 Favored 'General case' 0 CA--C 1.544 0.715 0 N-CA-C 107.394 -1.336 . . . . 0.0 107.394 164.963 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 75' ' ' ASN . . . . . . . . . . . . . 36.3 m-80 -78.58 4.05 14.5 Favored 'General case' 0 CA--C 1.535 0.377 0 C-N-CA 126.178 1.791 . . . . 0.0 112.755 178.731 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 76' ' ' TYR . . . . . . . . . . . . . 8.5 t80 -54.77 126.9 26.01 Favored 'General case' 0 CA--C 1.532 0.276 0 CA-C-N 119.515 1.052 . . . . 0.0 110.813 -175.7 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 69.19 9.62 60.86 Favored Glycine 0 CA--C 1.535 1.306 0 CA-C-O 118.344 -1.253 . . . . 0.0 114.75 -178.628 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 60.1 mttm -78.38 -20.64 50.8 Favored 'General case' 0 CA--C 1.532 0.275 0 CA-C-N 120.28 2.04 . . . . 0.0 112.441 176.146 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 45.8 mttm -58.58 142.93 47.82 Favored 'General case' 0 CA--C 1.54 0.591 0 CA-C-N 118.979 0.809 . . . . 0.0 109.423 170.312 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 35.7 mmtm -73.04 67.73 0.89 Allowed 'General case' 0 N--CA 1.468 0.438 0 C-N-CA 124.949 1.299 . . . . 0.0 108.763 176.229 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 31.1 tttp -62.75 68.86 0.02 OUTLIER 'General case' 0 N--CA 1.447 -0.583 0 N-CA-C 119.085 2.995 . . . . 0.0 119.085 -166.667 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 82' ' ' ARG . . . . . . . . . . . . . 96.5 mtt180 -65.71 -46.03 80.5 Favored 'General case' 0 CA--C 1.542 0.65 0 N-CA-C 103.448 -2.797 . . . . 0.0 103.448 165.232 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . 38.6 mmtm -133.28 -46.94 0.83 Allowed 'General case' 0 CA--C 1.538 0.491 0 C-N-CA 129.655 3.182 . . . . 0.0 108.142 168.258 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 84' ' ' ARG . . . . . 0.413 ' CZ ' ' H61' ' C' ' 9' ' ' ' DA' . 42.1 mtp85 -157.31 -144.26 0.13 Allowed 'General case' 0 CA--C 1.541 0.62 0 C-N-CA 128.165 2.586 . . . . 0.0 107.87 -173.415 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 31.3 tt0 -133.82 -1.52 3.03 Favored 'General case' 0 CA--C 1.533 0.323 0 C-N-CA 124.885 1.274 . . . . 0.0 112.248 172.364 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 48.3 mtmt . . . . . 0 C--O 1.234 0.26 0 C-N-CA 125.697 1.599 . . . . 0.0 108.358 -177.683 . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' B' B ' 1' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.53 2.414 1 O4'-C1'-N19 112.238 5.547 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 2' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.532 2.615 0 P-O3'-C3' 123.564 3.22 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' B' B ' 3' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.53 2.327 1 O4'-C1'-N19 111.774 4.968 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 4' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.419 -2.486 1 O4'-C1'-N19 111.822 5.027 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 5' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.409 -3.389 0 C4'-C3'-C2' 99.628 -3.572 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' B' B ' 6' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.413 -3.022 0 O4'-C1'-N19 109.887 2.609 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' B' B ' 7' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.418 -2.579 0 C4'-C3'-C2' 100.138 -3.062 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' B' B ' 8' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.408 -3.496 0 O4'-C4'-C3' 108.727 3.127 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' B' B ' 9' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.418 -2.512 0 P-O3'-C3' 123.314 3.012 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' B' B ' 10' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.533 2.782 0 O4'-C4'-C3' 108.416 2.816 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' B' B ' 11' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.421 -2.267 1 O4'-C1'-N19 113.592 7.24 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 12' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.415 -2.818 2 P-O3'-C3' 125.526 4.855 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 13' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.411 -3.165 1 O4'-C1'-N19 112.03 5.288 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 14' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.416 -2.696 0 O4'-C1'-N19 110.35 3.187 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' B' B ' 15' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.411 -3.146 0 O4'-C1'-N19 109.953 2.692 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' C' C ' 1' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.416 -2.744 1 O4'-C1'-N19 112.058 5.323 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' C' C ' 2' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.532 2.591 0 O4'-C1'-N19 110.378 3.223 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' C' C ' 3' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.415 -2.827 2 O4'-C1'-N19 114.641 8.551 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' C' C ' 4' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.532 2.649 0 O4'-C4'-C3' 108.124 2.524 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' C' C ' 5' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.411 -3.203 1 O4'-C1'-N19 112.858 6.323 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' C' C ' 6' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.418 -2.529 0 O4'-C1'-C2' 102.072 -3.661 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' C' C ' 7' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.537 3.287 0 O4'-C4'-C3' 108.582 2.982 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' C' C ' 8' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.407 -3.521 0 C4'-C3'-C2' 99.939 -3.261 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' C' C ' 9' ' ' ' DA' . . . . . 0.413 ' H61' ' CZ ' ' A' ' 84' ' ' ARG . . . . . . . . 0 O4'--C4' 1.41 -3.247 0 C5'-C4'-C3' 110.699 -2.668 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' C' C ' 10' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.415 -2.832 0 O4'-C1'-N19 110.09 2.862 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' C' C ' 11' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.536 3.106 0 O4'-C4'-C3' 108.165 2.565 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' C' C ' 12' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.534 2.818 0 O3'-P-O5' 98.0 -3.158 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' C' C ' 13' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.415 -2.825 0 O4'-C1'-N19 110.17 2.963 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' C' C ' 14' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.412 -3.078 0 O4'-C1'-C2' 102.954 -2.86 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' C' C ' 15' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.531 2.548 1 O4'-C1'-N19 111.582 4.728 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 22.8 ptm . . . . . 0 CA--C 1.532 0.286 0 CA-C-O 121.938 0.875 . . . . 0.0 110.201 . . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 2' ' ' HIS . . . . . . . . . . . . . 2.0 m-70 -72.04 101.16 2.66 Favored 'General case' 0 N--CA 1.454 -0.268 0 N-CA-C 109.178 -0.675 . . . . 0.0 109.178 177.059 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 3' ' ' ILE . . . . . 0.421 HD12 ' CD1' ' A' ' 67' ' ' TYR . 6.7 mm -79.81 97.34 2.77 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.369 0 C-N-CA 124.479 1.112 . . . . 0.0 108.02 178.715 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 6.7 mmtp -70.0 101.27 1.75 Allowed 'General case' 0 N--CA 1.451 -0.376 0 N-CA-C 108.173 -1.047 . . . . 0.0 108.173 171.676 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 14.1 mptt -45.96 149.18 1.25 Allowed Pre-proline 0 CA--C 1.536 0.436 0 C-N-CA 125.128 1.371 . . . . 0.0 110.418 179.782 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 60.9 Cg_endo -65.93 96.34 0.31 Allowed 'Trans proline' 0 N--CA 1.449 -1.089 0 C-N-CA 122.426 2.084 . . . . 0.0 109.202 -179.272 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 19.4 mt -39.66 108.42 0.09 Allowed 'General case' 0 N--CA 1.454 -0.242 0 C-N-CA 126.325 1.85 . . . . 0.0 112.029 -176.15 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 4.2 p30 -66.07 173.19 3.2 Favored 'General case' 0 N--CA 1.444 -0.728 0 CA-C-O 122.415 1.102 . . . . 0.0 110.88 177.067 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -38.75 -58.22 1.1 Allowed 'General case' 0 N--CA 1.444 -0.728 0 C-N-CA 126.295 1.838 . . . . 0.0 113.307 -178.729 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 10' ' ' PHE . . . . . . . . . . . . . 5.2 m-85 -71.33 -27.16 63.18 Favored 'General case' 0 N--CA 1.451 -0.394 0 O-C-N 121.53 -0.731 . . . . 0.0 111.055 -170.839 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 11' ' ' MET . . . . . . . . . . . . . 64.6 mmm -68.19 -43.52 77.93 Favored 'General case' 0 N--CA 1.453 -0.309 0 N-CA-C 108.387 -0.968 . . . . 0.0 108.387 178.705 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 67.3 mt -63.09 -44.79 94.76 Favored 'General case' 0 C--N 1.332 -0.18 0 O-C-N 121.482 -0.761 . . . . 0.0 110.16 173.747 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 33.8 t80 -52.79 -46.8 67.77 Favored 'General case' 0 C--O 1.232 0.16 0 N-CA-C 109.724 -0.473 . . . . 0.0 109.724 178.935 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 14' ' ' MET . . . . . . . . . . . . . 28.8 ttm -52.95 -63.64 1.08 Allowed 'General case' 0 N--CA 1.448 -0.556 0 C-N-CA 123.743 0.817 . . . . 0.0 110.124 171.575 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 4.1 mtpm? -48.31 -42.67 31.68 Favored 'General case' 0 CA--C 1.535 0.4 0 CA-C-N 119.096 0.862 . . . . 0.0 111.921 -176.155 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 48.9 mt-10 -70.43 -69.86 0.33 Allowed 'General case' 0 CA--C 1.536 0.434 0 C-N-CA 123.139 0.576 . . . . 0.0 112.025 179.957 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 17' ' ' MET . . . . . . . . . . . . . 13.4 mtp -79.91 -22.32 42.89 Favored 'General case' 0 C--O 1.23 0.077 0 N-CA-C 114.448 1.277 . . . . 0.0 114.448 -169.465 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 21.2 ttp85 -57.23 -38.32 73.61 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 119.163 0.892 . . . . 0.0 112.185 -171.585 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -52.4 -46.92 66.48 Favored 'General case' 0 CA--C 1.533 0.308 0 O-C-N 121.369 -0.832 . . . . 0.0 110.688 173.271 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 20' ' ' ASN . . . . . . . . . . . . . 12.4 t30 -62.34 -49.88 73.83 Favored 'General case' 0 N--CA 1.451 -0.382 0 N-CA-C 109.732 -0.47 . . . . 0.0 109.732 177.308 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 43.8 t -49.0 -54.6 5.01 Favored 'Isoleucine or valine' 0 N--CA 1.461 0.099 0 CA-C-N 117.962 0.346 . . . . 0.0 110.918 176.177 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 43.1 t -56.3 -49.66 75.49 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.469 0 N-CA-C 108.085 -1.08 . . . . 0.0 108.085 -175.809 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -53.83 -52.76 59.34 Favored 'General case' 0 CA--C 1.537 0.467 0 N-CA-C 112.175 0.435 . . . . 0.0 112.175 175.159 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 41.1 mt-10 -62.03 -54.92 34.74 Favored 'General case' 0 CA--C 1.532 0.268 0 CA-C-O 121.434 0.635 . . . . 0.0 111.933 -177.013 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 87.3 p -79.71 -25.1 41.27 Favored 'General case' 0 CA--C 1.514 -0.412 0 N-CA-C 115.416 1.636 . . . . 0.0 115.416 -167.963 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 17.6 p 64.71 6.63 3.36 Favored 'General case' 0 C--N 1.32 -0.714 0 C-N-CA 127.03 2.132 . . . . 0.0 112.226 -168.814 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -79.43 159.13 27.16 Favored 'General case' 0 C--N 1.343 0.323 0 CA-C-N 118.668 0.667 . . . . 0.0 109.618 169.117 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 8.3 mptt -132.8 -44.44 0.88 Allowed 'General case' 0 N--CA 1.448 -0.526 0 C-N-CA 124.223 1.009 . . . . 0.0 109.294 176.411 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 2.7 mp0 -38.95 102.32 0.02 OUTLIER 'General case' 0 N--CA 1.452 -0.337 0 C-N-CA 127.584 2.354 . . . . 0.0 109.285 -174.728 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 9.3 t -52.62 -38.26 59.89 Favored 'General case' 0 N--CA 1.449 -0.518 0 N-CA-C 113.179 0.807 . . . . 0.0 113.179 -168.042 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -63.45 -37.73 88.41 Favored 'General case' 0 CA--C 1.535 0.375 0 CA-C-N 119.603 1.092 . . . . 0.0 112.504 178.939 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -69.43 -49.21 57.26 Favored 'General case' 0 N--CA 1.462 0.174 0 CA-C-O 122.447 1.118 . . . . 0.0 109.021 175.444 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 33' ' ' ILE . . . . . . . . . . . . . 4.6 mm -59.63 -35.72 61.16 Favored 'Isoleucine or valine' 0 CA--C 1.542 0.66 0 C-N-CA 124.725 1.21 . . . . 0.0 111.543 -177.356 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 3.8 m-80 -58.24 -45.91 86.92 Favored 'General case' 0 N--CA 1.462 0.141 0 C-N-CA 124.283 1.033 . . . . 0.0 111.351 169.816 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 40.1 mt-30 -66.22 -40.63 90.42 Favored 'General case' 0 N--CA 1.454 -0.245 0 O-C-N 121.874 -0.516 . . . . 0.0 110.441 178.142 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 45.1 mt -51.21 -54.64 10.35 Favored 'Isoleucine or valine' 0 C--N 1.341 0.217 0 N-CA-C 109.627 -0.509 . . . . 0.0 109.627 170.605 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 16.2 mt -55.72 -44.58 77.63 Favored 'General case' 0 CA--C 1.534 0.361 0 CA-C-N 118.574 0.624 . . . . 0.0 111.433 176.601 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -49.65 -48.71 35.48 Favored Glycine 0 CA--C 1.529 0.939 0 N-CA-C 111.232 -0.747 . . . . 0.0 111.232 176.08 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -60.17 -62.66 1.71 Allowed 'General case' 0 N--CA 1.448 -0.549 0 O-C-N 122.217 -0.578 . . . . 0.0 110.272 172.28 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 51.1 mtt180 -54.72 -32.45 59.68 Favored 'General case' 0 C--N 1.338 0.091 0 C-N-CA 123.716 0.806 . . . . 0.0 112.893 -169.397 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 41' ' ' TRP . . . . . . . . . . . . . 55.8 t-105 -40.59 -43.37 1.88 Allowed 'General case' 0 CA--C 1.531 0.236 0 C-N-CA 123.382 0.673 . . . . 0.0 112.247 172.803 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 42' ' ' HIS . . . . . . . . . . . . . 75.6 m80 -59.1 -19.88 48.44 Favored 'General case' 0 CA--C 1.533 0.323 0 N-CA-C 112.873 0.694 . . . . 0.0 112.873 -174.713 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -79.1 -19.24 51.69 Favored 'General case' 0 CA--C 1.534 0.343 0 C-N-CA 123.071 0.548 . . . . 0.0 111.9 177.299 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 40.3 mt -62.87 128.54 36.36 Favored 'General case' 0 C--O 1.234 0.265 0 CA-C-N 118.943 0.792 . . . . 0.0 109.993 178.75 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 80.2 p -58.69 155.4 12.73 Favored 'General case' 0 N--CA 1.453 -0.277 0 N-CA-C 108.95 -0.759 . . . . 0.0 108.95 169.811 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -50.53 -35.68 30.67 Favored 'General case' 0 CA--C 1.534 0.33 0 O-C-N 121.731 -0.606 . . . . 0.0 110.957 175.45 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 50.1 mp0 -67.37 -50.05 61.39 Favored 'General case' 0 N--CA 1.452 -0.343 0 C-N-CA 123.563 0.745 . . . . 0.0 110.882 176.262 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 43.4 mt-10 -56.19 -43.91 78.92 Favored 'General case' 0 CA--C 1.531 0.22 0 O-C-N 122.007 -0.433 . . . . 0.0 110.581 175.189 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 71.8 mt-30 -56.78 -55.37 35.16 Favored 'General case' 0 N--CA 1.454 -0.231 0 N-CA-C 109.323 -0.621 . . . . 0.0 109.323 174.992 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -48.41 -44.75 35.26 Favored 'General case' 0 CA--C 1.534 0.355 0 C-N-CA 123.006 0.522 . . . . 0.0 111.66 178.778 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 5.5 pttt -45.28 -44.82 11.66 Favored 'General case' 0 CA--C 1.53 0.204 0 C-N-CA 123.435 0.694 . . . . 0.0 111.164 174.871 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 52' ' ' TYR . . . . . . . . . . . . . 40.0 m-85 -64.2 -34.81 78.94 Favored 'General case' 0 CA--C 1.514 -0.416 0 N-CA-C 112.832 0.678 . . . . 0.0 112.832 -179.028 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 53' ' ' TYR . . . . . . . . . . . . . 78.4 m-85 -74.19 -39.41 63.19 Favored 'General case' 0 N--CA 1.452 -0.361 0 N-CA-C 108.802 -0.814 . . . . 0.0 108.802 -177.999 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 42.4 mt-10 -54.76 -60.66 3.06 Favored 'General case' 0 CA--C 1.536 0.435 0 N-CA-C 109.416 -0.587 . . . . 0.0 109.416 169.62 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 5.6 mp -47.71 -50.86 23.93 Favored 'General case' 0 C--O 1.225 -0.208 0 C-N-CA 124.108 0.963 . . . . 0.0 113.399 175.405 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -53.16 -44.88 68.17 Favored 'General case' 0 CA--C 1.531 0.236 0 N-CA-C 109.645 -0.502 . . . . 0.0 109.645 178.48 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 77.3 mtp180 -65.5 -39.94 92.46 Favored 'General case' 0 CA--C 1.537 0.452 0 O-C-N 121.925 -0.485 . . . . 0.0 111.445 176.025 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 71.3 mmtt -56.5 -48.04 78.02 Favored 'General case' 0 CA--C 1.532 0.251 0 O-C-N 121.066 -1.021 . . . . 0.0 110.68 174.025 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 27.7 mm-40 -54.44 -49.76 69.24 Favored 'General case' 0 CA--C 1.531 0.236 0 C-N-CA 123.053 0.541 . . . . 0.0 110.039 173.022 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 60' ' ' ARG . . . . . . . . . . . . . 57.7 ttt-85 -51.51 -48.66 62.87 Favored 'General case' 0 CA--C 1.533 0.326 0 C-N-CA 124.456 1.103 . . . . 0.0 111.453 178.495 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 61' ' ' GLN . . . . . . . . . . . . . 36.0 mt-30 -64.73 -54.93 23.75 Favored 'General case' 0 CA--C 1.531 0.234 0 C-N-CA 122.951 0.5 . . . . 0.0 110.157 177.041 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 54.5 tp -47.98 -43.27 29.48 Favored 'General case' 0 CA--C 1.531 0.243 0 C-N-CA 124.233 1.013 . . . . 0.0 110.637 179.568 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 63' ' ' HIS . . . . . . . . . . . . . 3.1 t-80 -47.72 -38.05 14.45 Favored 'General case' 0 N--CA 1.455 -0.215 0 C-N-CA 125.223 1.409 . . . . 0.0 112.402 177.797 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 64' ' ' MET . . . . . . . . . . . . . 0.1 OUTLIER -60.21 -34.39 73.58 Favored 'General case' 0 N--CA 1.455 -0.188 0 C-N-CA 123.214 0.605 . . . . 0.0 110.586 179.613 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 65' ' ' GLN . . . . . . . . . . . . . 15.0 mt-30 -79.52 -45.33 19.49 Favored 'General case' 0 N--CA 1.45 -0.47 0 N-CA-C 109.23 -0.656 . . . . 0.0 109.23 177.334 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 31.3 mt -54.4 -41.49 69.32 Favored 'General case' 0 CA--C 1.531 0.24 0 C-N-CA 122.368 0.267 . . . . 0.0 110.984 178.576 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 67' ' ' TYR . . . . . 0.421 ' CD1' HD12 ' A' ' 3' ' ' ILE . 51.7 m-85 -135.84 97.5 12.5 Favored Pre-proline 0 N--CA 1.453 -0.288 0 C-N-CA 123.889 0.876 . . . . 0.0 109.585 -179.009 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 68' ' ' PRO . . . . . . . . . . . . . 50.7 Cg_exo -52.19 -61.62 0.48 Allowed 'Trans proline' 0 N--CA 1.455 -0.76 0 C-N-CA 123.218 2.612 . . . . 0.0 109.122 169.776 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . -80.89 66.3 3.79 Favored Glycine 0 C--N 1.338 0.657 0 N-CA-C 107.445 -2.262 . . . . 0.0 107.445 168.709 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 70' ' ' TRP . . . . . . . . . . . . . 7.4 t90 -59.55 101.47 0.11 Allowed 'General case' 0 N--CA 1.442 -0.841 0 N-CA-C 107.319 -1.363 . . . . 0.0 107.319 169.41 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 15.1 m -119.22 57.13 0.9 Allowed 'General case' 0 CA--C 1.54 0.583 0 CA-C-O 118.674 -0.679 . . . . 0.0 111.692 -172.478 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -41.49 -45.81 3.31 Favored 'General case' 0 N--CA 1.479 0.995 0 CA-C-N 119.933 1.242 . . . . 0.0 112.111 177.906 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 73' ' ' ARG . . . . . 0.593 ' CD ' ' H ' ' A' ' 73' ' ' ARG . 0.0 OUTLIER -49.7 -34.18 18.01 Favored 'General case' 0 N--CA 1.444 -0.773 0 C-N-CA 127.917 2.487 . . . . 0.0 111.993 -176.952 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 74' ' ' ASP . . . . . . . . . . . . . 10.5 t70 -63.71 -41.92 98.03 Favored 'General case' 0 CA--C 1.531 0.249 0 O-C-N 121.98 -0.45 . . . . 0.0 111.219 175.258 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 75' ' ' ASN . . . . . . . . . . . . . 1.0 OUTLIER -84.62 -32.81 23.52 Favored 'General case' 0 CA--C 1.529 0.151 0 C-N-CA 123.712 0.805 . . . . 0.0 110.744 -173.892 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 76' ' ' TYR . . . . . . . . . . . . . 86.1 t80 -50.42 123.89 9.52 Favored 'General case' 0 CA--C 1.534 0.35 0 C-N-CA 122.651 0.38 . . . . 0.0 111.946 -175.689 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 88.87 -10.97 70.51 Favored Glycine 0 CA--C 1.531 1.043 0 CA-C-O 118.596 -1.114 . . . . 0.0 114.207 178.145 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 11.8 mptt -81.74 -14.44 56.48 Favored 'General case' 0 CA--C 1.537 0.459 0 CA-C-N 119.935 1.867 . . . . 0.0 113.484 -169.931 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 58.0 mttm -63.65 133.12 53.09 Favored 'General case' 0 CA--C 1.534 0.353 0 CA-C-N 120.137 1.335 . . . . 0.0 107.941 169.656 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 36.4 mtmm -76.96 69.61 3.28 Favored 'General case' 0 CA--C 1.535 0.391 0 CA-C-O 121.479 0.656 . . . . 0.0 110.206 -175.877 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 22.0 ttmm -68.1 82.72 0.22 Allowed 'General case' 0 CA--C 1.535 0.37 0 C-N-CA 124.435 1.094 . . . . 0.0 112.007 -170.732 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 82' ' ' ARG . . . . . . . . . . . . . 57.0 mtt180 -39.16 -45.1 1.27 Allowed 'General case' 0 N--CA 1.466 0.334 0 C-N-CA 126.015 1.726 . . . . 0.0 112.173 171.99 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . 58.3 tttm -60.75 -31.53 70.86 Favored 'General case' 0 CA--C 1.533 0.309 0 C-N-CA 124.295 1.038 . . . . 0.0 111.873 -176.368 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 84' ' ' ARG . . . . . . . . . . . . . 80.9 mtp180 65.61 -64.54 0.19 Allowed 'General case' 0 CA--C 1.53 0.192 0 C-N-CA 126.643 1.977 . . . . 0.0 111.071 -172.042 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 41.8 mt-10 -72.3 74.81 1.0 Allowed 'General case' 0 N--CA 1.451 -0.383 0 C-N-CA 124.31 1.044 . . . . 0.0 110.76 -179.206 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 CA--C 1.528 0.125 0 C-N-CA 123.626 0.77 . . . . 0.0 110.594 169.851 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 1' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.528 2.106 1 O4'-C1'-N19 111.981 5.226 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 2' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.414 -2.91 0 O4'-C1'-C2' 102.69 -3.1 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' B' B ' 3' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.415 -2.811 0 P-O3'-C3' 123.667 3.306 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' B' B ' 4' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.416 -2.74 0 P-O3'-C3' 123.691 3.326 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' B' B ' 5' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.41 -3.248 0 C4'-C3'-C2' 100.092 -3.108 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' B' B ' 6' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.412 -3.065 0 O4'-C1'-N19 109.26 1.826 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' B' B ' 7' ' ' ' DT' . . . . . 0.421 " H2'" ' C6 ' ' B' ' 8' ' ' ' DT' . . . . . . . . 0 C5'--C4' 1.532 2.567 0 C4'-C3'-C2' 100.259 -2.941 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 8' ' ' ' DT' . . . . . 0.421 ' C6 ' " H2'" ' B' ' 7' ' ' ' DT' . . . . . . . . 0 O4'--C4' 1.412 -3.059 0 C3'-C2'-C1' 106.793 2.923 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 9' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.536 3.144 0 P-O3'-C3' 122.312 2.177 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' B' B ' 10' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.532 2.595 0 P-O3'-C3' 122.599 2.416 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' B' B ' 11' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.421 -2.241 1 O4'-C1'-N19 112.379 5.724 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 12' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.414 -2.881 4 O4'-C1'-N19 111.696 4.87 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 13' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.411 -3.158 1 O4'-C1'-N19 111.158 4.197 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 14' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.416 -2.736 0 O4'-C1'-N19 110.304 3.13 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' B' B ' 15' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.411 -3.181 0 O4'-C1'-N19 109.977 2.721 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' C' C ' 1' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.415 -2.804 1 O4'-C1'-N19 112.229 5.536 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' C' C ' 2' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.533 2.727 0 O4'-C1'-N19 110.289 3.111 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' C' C ' 3' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.414 -2.904 2 O4'-C1'-N19 114.672 8.59 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' C' C ' 4' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.533 2.779 0 O4'-C1'-N19 110.173 2.967 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' C' C ' 5' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.417 -2.608 0 O4'-C1'-N19 110.449 3.311 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' C' C ' 6' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.417 -2.634 0 O4'-C1'-C2' 102.637 -3.148 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' C' C ' 7' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.413 -2.973 0 O4'-C4'-C3' 108.867 3.267 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' C' C ' 8' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.406 -3.635 0 C4'-C3'-C2' 99.487 -3.713 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' C' C ' 9' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.411 -3.225 0 C5'-C4'-C3' 111.194 -2.337 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' C' C ' 10' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.415 -2.853 1 O4'-C1'-N19 111.316 4.395 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' C' C ' 11' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.534 2.918 0 O4'-C4'-C3' 108.06 2.46 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' C' C ' 12' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.533 2.787 0 O3'-P-O5' 98.988 -2.638 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' C' C ' 13' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.414 -2.91 1 O4'-C1'-N19 111.405 4.507 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' C' C ' 14' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.411 -3.173 0 O4'-C1'-N19 110.236 3.046 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' C' C ' 15' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.534 2.816 1 O4'-C1'-N19 112.213 5.516 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 14.4 tpt . . . . . 0 N--CA 1.452 -0.338 0 CA-C-O 121.047 0.451 . . . . 0.0 109.785 . . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' 2' ' ' HIS . . . . . . . . . . . . . 4.8 m-70 -72.37 73.04 0.98 Allowed 'General case' 0 N--CA 1.455 -0.214 0 C-N-CA 123.858 0.863 . . . . 0.0 109.727 176.211 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . 62.9 mt -78.4 115.52 20.64 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.253 0 N-CA-C 106.676 -1.602 . . . . 0.0 106.676 175.715 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -55.69 153.82 7.62 Favored 'General case' 0 CA--C 1.536 0.425 0 C-N-CA 124.759 1.224 . . . . 0.0 111.665 -173.178 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 14.3 mptt -77.58 159.41 77.04 Favored Pre-proline 0 CA--C 1.532 0.281 0 C-N-CA 124.186 0.994 . . . . 0.0 109.874 179.116 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 74.4 Cg_endo -68.26 92.35 0.4 Allowed 'Trans proline' 0 N--CA 1.45 -1.056 0 C-N-CA 122.288 1.992 . . . . 0.0 108.975 170.263 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 9.5 mp -39.72 118.75 0.89 Allowed 'General case' 0 CA--C 1.53 0.182 0 C-N-CA 124.877 1.271 . . . . 0.0 112.204 174.31 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 5.9 p30 -75.09 179.22 5.14 Favored 'General case' 0 N--CA 1.446 -0.673 0 CA-C-O 122.287 1.042 . . . . 0.0 111.825 177.363 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -38.55 -62.9 0.55 Allowed 'General case' 0 N--CA 1.447 -0.58 0 C-N-CA 126.714 2.006 . . . . 0.0 113.408 179.644 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 10' ' ' PHE . . . . . . . . . . . . . 5.4 m-85 -71.34 -25.88 62.58 Favored 'General case' 0 N--CA 1.453 -0.284 0 O-C-N 121.456 -0.777 . . . . 0.0 111.155 -170.554 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 11' ' ' MET . . . . . . . . . . . . . 65.2 mmm -67.74 -41.3 83.6 Favored 'General case' 0 N--CA 1.454 -0.267 0 N-CA-C 108.755 -0.832 . . . . 0.0 108.755 177.231 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 59.7 mt -64.73 -44.43 90.19 Favored 'General case' 0 C--O 1.231 0.091 0 O-C-N 121.661 -0.649 . . . . 0.0 110.062 173.107 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 27.3 t80 -52.43 -46.04 66.22 Favored 'General case' 0 N--CA 1.462 0.174 0 N-CA-C 109.353 -0.61 . . . . 0.0 109.353 178.158 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 14' ' ' MET . . . . . . . . . . . . . 30.2 ttm -55.51 -63.96 1.0 Allowed 'General case' 0 N--CA 1.445 -0.723 0 CA-C-O 118.459 -0.781 . . . . 0.0 110.31 171.816 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 1.5 mtpm? -48.3 -42.1 30.02 Favored 'General case' 0 CA--C 1.534 0.342 0 CA-C-N 120.015 1.28 . . . . 0.0 112.191 -175.539 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 49.3 mt-10 -70.03 -66.75 0.55 Allowed 'General case' 0 CA--C 1.535 0.392 0 C-N-CA 123.169 0.588 . . . . 0.0 111.947 179.225 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 17' ' ' MET . . . . . . . . . . . . . 14.5 mtp -86.42 -23.83 25.92 Favored 'General case' 0 C--O 1.226 -0.171 0 N-CA-C 114.92 1.452 . . . . 0.0 114.92 -168.849 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 18' ' ' ARG . . . . . 0.4 ' HG2' ' CG2' ' A' ' 33' ' ' ILE . 7.6 tmm_? -55.45 -42.26 74.0 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-N 119.608 1.095 . . . . 0.0 111.362 -175.851 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -53.88 -46.68 71.4 Favored 'General case' 0 CA--C 1.533 0.324 0 O-C-N 122.026 -0.421 . . . . 0.0 110.634 172.045 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 20' ' ' ASN . . . . . . . . . . . . . 9.9 t30 -61.99 -47.36 85.18 Favored 'General case' 0 C--O 1.222 -0.389 0 N-CA-C 109.905 -0.406 . . . . 0.0 109.905 177.904 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 73.8 t -51.55 -53.55 15.89 Favored 'Isoleucine or valine' 0 N--CA 1.46 0.055 0 CA-C-N 118.856 0.753 . . . . 0.0 110.499 175.539 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 55.0 t -59.01 -37.28 66.75 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.369 0 C-N-CA 122.679 0.392 . . . . 0.0 110.412 -178.735 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -65.51 -47.55 75.58 Favored 'General case' 0 CA--C 1.539 0.523 0 O-C-N 121.806 -0.559 . . . . 0.0 112.367 173.528 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 85.3 mt-10 -67.82 -55.72 11.9 Favored 'General case' 0 CA--C 1.53 0.199 0 CA-C-O 121.415 0.626 . . . . 0.0 111.465 -176.166 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 53.5 p -86.98 176.61 7.56 Favored 'General case' 0 N--CA 1.449 -0.503 0 C-N-CA 124.56 1.144 . . . . 0.0 111.582 -168.881 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 4.3 p -82.75 -10.4 58.91 Favored 'General case' 0 N--CA 1.445 -0.676 0 C-N-CA 123.784 0.834 . . . . 0.0 110.716 169.552 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 4.1 mm? -80.91 157.19 25.68 Favored 'General case' 0 N--CA 1.446 -0.642 0 CA-C-O 122.213 1.006 . . . . 0.0 112.784 -171.036 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 2.0 mptp? -144.77 -33.75 0.37 Allowed 'General case' 0 N--CA 1.454 -0.267 0 CA-C-N 113.162 -1.835 . . . . 0.0 110.973 169.465 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 42.3 mt-10 -53.95 113.75 1.34 Allowed 'General case' 0 C--N 1.343 0.287 0 N-CA-C 108.287 -1.005 . . . . 0.0 108.287 -172.346 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 18.1 t -52.79 -46.28 67.54 Favored 'General case' 0 N--CA 1.45 -0.441 0 O-C-N 123.577 0.548 . . . . 0.0 110.966 -169.098 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -56.26 -38.53 71.28 Favored 'General case' 0 CA--C 1.533 0.32 0 O-C-N 121.088 -1.007 . . . . 0.0 113.588 179.731 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -72.97 -50.61 22.29 Favored 'General case' 0 CA--C 1.528 0.113 0 O-C-N 121.397 -0.814 . . . . 0.0 109.207 176.429 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 33' ' ' ILE . . . . . 0.4 ' CG2' ' HG2' ' A' ' 18' ' ' ARG . 8.5 mm -52.29 -35.07 19.13 Favored 'Isoleucine or valine' 0 CA--C 1.543 0.692 0 C-N-CA 125.36 1.464 . . . . 0.0 112.078 178.541 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 81.9 m-20 -75.94 -33.6 59.83 Favored 'General case' 0 C--N 1.332 -0.177 0 C-N-CA 124.445 1.098 . . . . 0.0 110.123 -178.86 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 40.7 mt-30 -69.15 -40.71 78.03 Favored 'General case' 0 CA--C 1.532 0.272 0 O-C-N 121.898 -0.501 . . . . 0.0 109.986 169.793 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 17.5 mt -50.88 -53.42 13.89 Favored 'Isoleucine or valine' 0 C--N 1.342 0.26 0 N-CA-C 108.892 -0.781 . . . . 0.0 108.892 169.964 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 14.2 mt -57.45 -44.13 84.51 Favored 'General case' 0 CA--C 1.535 0.375 0 O-C-N 121.408 -0.807 . . . . 0.0 111.187 177.3 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -46.57 -48.44 17.05 Favored Glycine 0 CA--C 1.532 1.119 0 N-CA-C 111.535 -0.626 . . . . 0.0 111.535 172.172 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 3.7 tmm_? -62.88 -58.96 5.58 Favored 'General case' 0 N--CA 1.446 -0.669 0 O-C-N 121.945 -0.738 . . . . 0.0 110.912 173.371 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 19.5 mtp180 -58.64 -28.95 66.15 Favored 'General case' 0 N--CA 1.461 0.077 0 C-N-CA 123.678 0.791 . . . . 0.0 112.2 -168.923 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 41' ' ' TRP . . . . . . . . . . . . . 63.8 t-105 -41.97 -42.82 2.92 Favored 'General case' 0 N--CA 1.451 -0.384 0 C-N-CA 123.265 0.626 . . . . 0.0 112.222 169.682 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 42' ' ' HIS . . . . . . . . . . . . . 73.4 m80 -59.16 -20.92 58.0 Favored 'General case' 0 CA--C 1.533 0.327 0 C-N-CA 124.083 0.953 . . . . 0.0 112.817 -176.358 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -79.12 -18.76 52.64 Favored 'General case' 0 CA--C 1.533 0.293 0 CA-C-N 118.247 0.476 . . . . 0.0 111.62 177.227 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 34.2 mt -67.15 125.95 27.66 Favored 'General case' 0 N--CA 1.454 -0.254 0 CA-C-N 118.725 0.693 . . . . 0.0 110.022 178.926 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 79.6 p -57.69 159.84 4.89 Favored 'General case' 0 CA--C 1.531 0.24 0 N-CA-C 109.4 -0.593 . . . . 0.0 109.4 169.203 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 4.1 mmp_? -49.13 -38.86 26.44 Favored 'General case' 0 CA--C 1.531 0.246 0 O-C-N 122.019 -0.425 . . . . 0.0 111.589 175.695 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 51.7 mp0 -67.57 -50.7 57.2 Favored 'General case' 0 N--CA 1.45 -0.428 0 C-N-CA 123.652 0.781 . . . . 0.0 110.821 178.717 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 33.7 mt-10 -55.67 -43.64 76.52 Favored 'General case' 0 C--O 1.226 -0.174 0 O-C-N 122.268 -0.27 . . . . 0.0 110.607 175.602 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 69.6 mt-30 -57.05 -58.94 5.96 Favored 'General case' 0 N--CA 1.454 -0.25 0 N-CA-C 109.088 -0.708 . . . . 0.0 109.088 174.567 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -47.32 -43.01 22.4 Favored 'General case' 0 C--O 1.235 0.297 0 C-N-CA 123.8 0.84 . . . . 0.0 112.111 -178.91 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -46.54 -42.17 15.37 Favored 'General case' 0 CA--C 1.533 0.289 0 C-N-CA 122.904 0.482 . . . . 0.0 111.276 176.974 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 52' ' ' TYR . . . . . . . . . . . . . 44.1 m-85 -63.66 -35.49 80.7 Favored 'General case' 0 N--CA 1.453 -0.306 0 N-CA-C 112.949 0.722 . . . . 0.0 112.949 -179.217 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 53' ' ' TYR . . . . . . . . . . . . . 40.1 m-85 -71.46 -40.0 70.58 Favored 'General case' 0 N--CA 1.452 -0.338 0 N-CA-C 107.547 -1.279 . . . . 0.0 107.547 -176.488 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 79.3 mm-40 -57.61 -60.97 2.86 Favored 'General case' 0 CA--C 1.533 0.299 0 N-CA-C 109.905 -0.406 . . . . 0.0 109.905 169.536 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 6.1 mp -45.48 -50.16 12.95 Favored 'General case' 0 C--O 1.224 -0.257 0 C-N-CA 124.401 1.08 . . . . 0.0 113.38 177.211 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -51.66 -45.13 63.28 Favored 'General case' 0 CA--C 1.536 0.41 0 CA-C-O 121.227 0.537 . . . . 0.0 109.852 177.504 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 41.5 mtt85 -68.22 -38.45 81.91 Favored 'General case' 0 CA--C 1.534 0.334 0 O-C-N 121.941 -0.474 . . . . 0.0 111.209 177.389 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 30.6 mmtm -58.9 -43.69 91.05 Favored 'General case' 0 CA--C 1.534 0.34 0 CA-C-N 119.646 1.112 . . . . 0.0 111.116 172.892 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 30.8 mm-40 -59.4 -46.14 89.54 Favored 'General case' 0 CA--C 1.53 0.179 0 C-N-CA 123.048 0.539 . . . . 0.0 110.242 174.088 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 60' ' ' ARG . . . . . . . . . . . . . 66.4 ttt-85 -55.21 -52.97 61.65 Favored 'General case' 0 CA--C 1.539 0.546 0 C-N-CA 123.478 0.711 . . . . 0.0 110.99 175.782 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 61' ' ' GLN . . . . . . . . . . . . . 29.6 mt-30 -57.41 -52.16 66.51 Favored 'General case' 0 CA--C 1.529 0.15 0 C-N-CA 124.475 1.11 . . . . 0.0 110.163 179.089 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 51.8 tp -50.16 -53.46 27.53 Favored 'General case' 0 N--CA 1.454 -0.258 0 N-CA-C 108.739 -0.837 . . . . 0.0 108.739 175.041 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 63' ' ' HIS . . . . . . . . . . . . . 1.7 t-80 -52.88 -45.03 67.29 Favored 'General case' 0 N--CA 1.449 -0.488 0 C-N-CA 123.038 0.535 . . . . 0.0 111.486 -179.908 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 64' ' ' MET . . . . . . . . . . . . . 85.6 mtp -62.23 -31.36 71.9 Favored 'General case' 0 CA--C 1.534 0.334 0 CA-C-N 118.039 0.382 . . . . 0.0 112.0 176.227 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 65' ' ' GLN . . . . . . . . . . . . . 13.0 mt-30 -78.09 -49.14 14.51 Favored 'General case' 0 CA--C 1.529 0.171 0 O-C-N 121.539 -0.726 . . . . 0.0 109.103 -178.726 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 74.4 mt -57.96 -44.41 87.01 Favored 'General case' 0 N--CA 1.453 -0.29 0 C-N-CA 124.173 0.989 . . . . 0.0 110.691 176.106 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 67' ' ' TYR . . . . . . . . . . . . . 78.6 m-85 -129.09 83.54 65.65 Favored Pre-proline 0 C--O 1.236 0.39 0 C-N-CA 124.442 1.097 . . . . 0.0 109.866 -177.359 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 68' ' ' PRO . . . . . . . . . . . . . 71.6 Cg_endo -71.51 75.84 1.94 Allowed 'Trans proline' 0 N--CA 1.454 -0.83 0 C-N-CA 123.436 2.758 . . . . 0.0 109.349 178.305 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . 124.62 25.27 1.61 Allowed Glycine 0 CA--C 1.527 0.804 0 C-N-CA 125.71 1.624 . . . . 0.0 112.527 -174.764 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 70' ' ' TRP . . . . . . . . . . . . . 5.7 t90 -56.78 127.67 32.76 Favored 'General case' 0 C--N 1.342 0.28 0 CA-C-N 119.528 1.664 . . . . 0.0 107.938 168.635 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 48.5 m -58.67 130.78 48.49 Favored 'General case' 0 N--CA 1.437 -1.098 0 N-CA-C 114.377 1.251 . . . . 0.0 114.377 -176.574 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -63.5 139.78 58.8 Favored 'General case' 0 N--CA 1.435 -1.221 1 N-CA-C 99.218 -4.364 . . . . 0.0 99.218 163.501 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 73' ' ' ARG . . . . . 0.451 ' N ' ' CD ' ' A' ' 73' ' ' ARG 0.288 0.0 OUTLIER -31.5 91.83 0.01 OUTLIER 'General case' 0 C--N 1.313 -0.986 0 N-CA-C 118.969 2.951 . . . . 0.0 118.969 -160.092 . . . . . . . . 4 4 . 1 . 006 nuclear orig full ' A' A ' 74' ' ' ASP . . . . . . . . . . . . . 23.0 p-10 -80.96 -39.1 26.6 Favored 'General case' 0 CA--C 1.537 0.448 0 N-CA-C 104.549 -2.389 . . . . 0.0 104.549 165.315 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 75' ' ' ASN . . . . . . . . . . . . . 43.1 m-80 -79.1 51.18 1.13 Allowed 'General case' 0 CA--C 1.534 0.329 0 C-N-CA 126.072 1.749 . . . . 0.0 109.876 173.804 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 76' ' ' TYR . . . . . . . . . . . . . 27.0 t80 -90.96 147.22 23.25 Favored 'General case' 0 CA--C 1.531 0.24 0 N-CA-C 107.604 -1.258 . . . . 0.0 107.604 169.673 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 54.98 44.94 82.98 Favored Glycine 0 CA--C 1.534 1.264 0 CA-C-N 118.973 0.806 . . . . 0.0 112.603 178.544 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 48.6 mmtm -100.74 -48.37 4.51 Favored 'General case' 0 CA--C 1.527 0.078 0 C-N-CA 124.662 1.185 . . . . 0.0 108.763 172.899 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 49.7 mttm -73.46 135.96 44.17 Favored 'General case' 0 N--CA 1.452 -0.327 0 N-CA-C 104.831 -2.285 . . . . 0.0 104.831 167.799 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 92.4 mttt -69.76 149.27 48.16 Favored 'General case' 0 N--CA 1.453 -0.283 0 N-CA-C 108.297 -1.001 . . . . 0.0 108.297 172.421 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 29.4 tptp -129.91 149.82 51.47 Favored 'General case' 0 CA--C 1.53 0.185 0 C-N-CA 125.091 1.356 . . . . 0.0 108.078 -169.962 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 82' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -105.19 -94.02 0.35 Allowed 'General case' 0 CA--C 1.532 0.265 0 C-N-CA 125.218 1.407 . . . . 0.0 110.453 -169.946 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -75.93 72.73 2.81 Favored 'General case' 0 CA--C 1.533 0.3 0 N-CA-C 112.963 0.727 . . . . 0.0 112.963 -169.751 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 84' ' ' ARG . . . . . . . . . . . . . 70.6 ttp85 -55.7 131.82 47.55 Favored 'General case' 0 CA--C 1.535 0.394 0 N-CA-C 106.82 -1.548 . . . . 0.0 106.82 168.494 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 1.3 pm0 -78.79 52.49 1.23 Allowed 'General case' 0 CA--C 1.538 0.487 0 C-N-CA 123.555 0.742 . . . . 0.0 112.61 -169.701 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 8.6 mtmp? . . . . . 0 C--O 1.233 0.232 0 C-N-CA 125.156 1.382 . . . . 0.0 111.362 177.69 . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' B' B ' 1' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.53 2.437 2 O4'-C1'-N19 111.91 5.137 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 2' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.535 2.977 0 P-O3'-C3' 123.669 3.307 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' B' B ' 3' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.417 -2.639 0 P-O3'-C3' 123.053 2.794 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' B' B ' 4' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.412 -3.09 0 O4'-C4'-C3' 108.508 2.908 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' B' B ' 5' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.406 -3.675 0 P-O3'-C3' 122.876 2.646 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' B' B ' 6' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.407 -3.551 0 C4'-C3'-C2' 100.616 -2.584 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' B' B ' 7' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.418 -2.562 0 C4'-C3'-C2' 100.129 -3.071 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' B' B ' 8' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.408 -3.461 0 O4'-C4'-C3' 108.517 2.917 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' B' B ' 9' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.417 -2.599 0 P-O3'-C3' 123.346 3.038 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' B' B ' 10' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.533 2.741 0 P-O3'-C3' 122.947 2.706 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' B' B ' 11' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.422 -2.17 2 O4'-C1'-N19 114.743 8.679 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 12' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 P--O5' 1.617 2.421 4 O4'-C1'-N19 112.534 5.918 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 13' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.41 -3.301 1 O4'-C1'-N19 111.638 4.797 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 14' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.533 2.787 0 O4'-C1'-N19 110.6 3.5 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' B' B ' 15' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.41 -3.268 0 O4'-C1'-N19 109.886 2.607 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' C' C ' 1' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.415 -2.803 1 O4'-C1'-N19 112.151 5.438 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' C' C ' 2' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.531 2.514 0 O4'-C1'-N19 110.181 2.976 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' C' C ' 3' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.418 -2.563 2 O4'-C1'-N19 115.789 9.986 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' C' C ' 4' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.534 2.859 0 O4'-C1'-N19 109.752 2.44 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' C' C ' 5' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.412 -3.129 1 O4'-C1'-N19 113.075 6.594 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' C' C ' 6' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.419 -2.477 0 O4'-C1'-C2' 102.003 -3.725 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' C' C ' 7' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.415 -2.811 0 O4'-C4'-C3' 109.369 3.769 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' C' C ' 8' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.407 -3.52 1 C4'-C3'-C2' 98.585 -4.615 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' C' C ' 9' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.411 -3.139 0 C5'-C4'-C3' 111.03 -2.447 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' C' C ' 10' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.416 -2.767 1 O4'-C1'-N19 111.466 4.582 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' C' C ' 11' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.531 2.526 1 O4'-C1'-N19 111.717 4.896 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' C' C ' 12' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.531 2.466 0 O3'-P-O5' 98.621 -2.831 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' C' C ' 13' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.417 -2.671 0 O4'-C4'-C3' 108.071 2.471 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' C' C ' 14' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.411 -3.168 0 O4'-C1'-N19 110.544 3.43 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' C' C ' 15' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.531 2.539 0 O4'-C1'-N19 110.983 3.978 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 23.5 ptm . . . . . 0 CA--C 1.534 0.336 0 CA-C-O 121.262 0.553 . . . . 0.0 111.198 . . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' 2' ' ' HIS . . . . . . . . . . . . . 4.7 m-70 -70.55 78.67 0.58 Allowed 'General case' 0 N--CA 1.457 -0.109 0 N-CA-C 108.439 -0.949 . . . . 0.0 108.439 172.76 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . 11.7 mt -77.74 129.69 37.13 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.39 0 N-CA-C 107.269 -1.382 . . . . 0.0 107.269 -172.58 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -59.99 143.2 52.38 Favored 'General case' 0 N--CA 1.451 -0.422 0 CA-C-N 116.383 -0.371 . . . . 0.0 110.109 -172.392 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -67.1 158.32 81.75 Favored Pre-proline 0 CA--C 1.534 0.332 0 N-CA-C 109.385 -0.598 . . . . 0.0 109.385 178.577 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 57.0 Cg_endo -66.55 94.3 0.32 Allowed 'Trans proline' 0 N--CA 1.449 -1.098 0 C-N-CA 121.362 1.374 . . . . 0.0 109.0 169.924 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 9.5 mp -39.72 127.8 2.01 Favored 'General case' 0 C--O 1.231 0.091 0 C-N-CA 125.21 1.404 . . . . 0.0 112.448 176.203 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 5.7 p30 -86.13 -179.03 6.66 Favored 'General case' 0 N--CA 1.446 -0.66 0 CA-C-O 122.089 0.947 . . . . 0.0 112.023 -178.435 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -38.89 -63.34 0.53 Allowed 'General case' 0 N--CA 1.449 -0.484 0 C-N-CA 126.956 2.102 . . . . 0.0 113.712 178.57 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 10' ' ' PHE . . . . . . . . . . . . . 5.3 m-85 -71.69 -22.6 61.63 Favored 'General case' 0 N--CA 1.451 -0.378 0 O-C-N 121.361 -0.837 . . . . 0.0 111.538 -169.651 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 11' ' ' MET . . . . . . . . . . . . . 54.5 mmm -66.55 -45.23 80.06 Favored 'General case' 0 N--CA 1.455 -0.195 0 N-CA-C 108.44 -0.948 . . . . 0.0 108.44 176.693 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 11.0 mt -61.43 -47.23 86.68 Favored 'General case' 0 CA--C 1.531 0.212 0 N-CA-C 109.382 -0.599 . . . . 0.0 109.382 174.859 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 45.5 t80 -52.4 -49.42 64.51 Favored 'General case' 0 N--CA 1.467 0.4 0 N-CA-C 109.939 -0.393 . . . . 0.0 109.939 179.871 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 14' ' ' MET . . . . . . . . . . . . . 18.4 ttm -53.16 -60.53 3.17 Favored 'General case' 0 N--CA 1.445 -0.695 0 C-N-CA 123.895 0.878 . . . . 0.0 109.935 172.553 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 35.8 mttm -47.57 -44.75 26.46 Favored 'General case' 0 CA--C 1.535 0.379 0 CA-C-N 119.514 1.052 . . . . 0.0 112.036 -178.199 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 45.1 mt-10 -69.48 -68.93 0.37 Allowed 'General case' 0 CA--C 1.537 0.444 0 C-N-CA 122.716 0.406 . . . . 0.0 111.986 179.893 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 17' ' ' MET . . . . . . . . . . . . . 10.0 mtp -79.96 -22.27 42.8 Favored 'General case' 0 N--CA 1.457 -0.087 0 N-CA-C 114.558 1.318 . . . . 0.0 114.558 -169.251 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 24.2 ttp85 -58.87 -39.45 81.39 Favored 'General case' 0 N--CA 1.452 -0.333 0 CA-C-N 119.41 1.005 . . . . 0.0 111.566 -175.303 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -53.35 -46.95 69.73 Favored 'General case' 0 CA--C 1.53 0.189 0 O-C-N 121.754 -0.591 . . . . 0.0 110.205 173.897 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 20' ' ' ASN . . . . . . . . . . . . . 10.2 t30 -59.65 -52.96 63.3 Favored 'General case' 0 C--O 1.222 -0.385 0 CA-C-O 119.047 -0.501 . . . . 0.0 109.756 175.56 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 52.1 t -47.36 -54.5 2.89 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.254 0 CA-C-N 118.848 0.749 . . . . 0.0 111.114 177.08 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 55.6 t -62.43 -36.36 74.42 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.445 0 C-N-CA 123.447 0.699 . . . . 0.0 110.156 -176.314 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -65.31 -47.24 77.28 Favored 'General case' 0 CA--C 1.537 0.464 0 O-C-N 121.863 -0.523 . . . . 0.0 112.33 172.93 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 19.7 mt-10 -69.24 -53.49 19.59 Favored 'General case' 0 CA--C 1.53 0.191 0 O-C-N 121.921 -0.487 . . . . 0.0 111.143 -176.117 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 54.6 p -83.22 172.36 12.68 Favored 'General case' 0 N--CA 1.451 -0.4 0 C-N-CA 124.059 0.944 . . . . 0.0 110.366 -172.098 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 4.2 p -81.89 -12.59 58.36 Favored 'General case' 0 N--CA 1.45 -0.446 0 C-N-CA 123.424 0.69 . . . . 0.0 111.265 170.322 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -86.06 159.89 19.45 Favored 'General case' 0 N--CA 1.45 -0.473 0 CA-C-O 122.134 0.969 . . . . 0.0 113.287 -169.44 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 1.5 mptp? -141.7 -39.47 0.38 Allowed 'General case' 0 CA--C 1.531 0.222 0 C-N-CA 125.957 1.703 . . . . 0.0 109.971 174.991 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 3.0 mp0 -39.37 106.63 0.06 Allowed 'General case' 0 C--O 1.238 0.482 0 C-N-CA 126.963 2.105 . . . . 0.0 110.911 -179.402 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 24.3 t -76.76 73.88 3.41 Favored 'General case' 0 N--CA 1.452 -0.356 0 CA-C-O 121.744 0.783 . . . . 0.0 109.096 -173.782 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -168.92 -50.44 0.02 OUTLIER 'General case' 0 C--N 1.327 -0.391 0 N-CA-C 105.654 -1.98 . . . . 0.0 105.654 170.119 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -63.08 -47.58 82.3 Favored 'General case' 0 N--CA 1.453 -0.315 0 N-CA-C 107.58 -1.267 . . . . 0.0 107.58 168.115 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 33' ' ' ILE . . . . . . . . . . . . . 8.0 mm -57.31 -39.36 67.36 Favored 'Isoleucine or valine' 0 CA--C 1.538 0.49 0 C-N-CA 123.455 0.702 . . . . 0.0 111.609 174.216 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 81.4 m-20 -71.46 -35.58 70.92 Favored 'General case' 0 N--CA 1.463 0.182 0 O-C-N 121.202 -0.936 . . . . 0.0 110.882 -178.963 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 32.1 mt-30 -65.04 -41.5 95.14 Favored 'General case' 0 CA--C 1.534 0.364 0 O-C-N 121.686 -0.634 . . . . 0.0 111.066 169.75 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 16.1 mt -50.2 -53.84 10.31 Favored 'Isoleucine or valine' 0 C--N 1.343 0.29 0 N-CA-C 109.121 -0.696 . . . . 0.0 109.121 170.799 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 17.1 mt -56.38 -45.71 80.41 Favored 'General case' 0 CA--C 1.535 0.385 0 CA-C-N 118.678 0.672 . . . . 0.0 111.375 176.515 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -46.0 -48.74 14.17 Favored Glycine 0 CA--C 1.53 1.022 0 N-CA-C 111.552 -0.619 . . . . 0.0 111.552 174.19 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -63.26 -60.9 2.79 Favored 'General case' 0 N--CA 1.448 -0.559 0 C-N-CA 123.349 0.659 . . . . 0.0 110.762 173.326 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 83.8 mtt180 -56.24 -30.91 63.01 Favored 'General case' 0 N--CA 1.462 0.138 0 C-N-CA 124.02 0.928 . . . . 0.0 112.59 -169.454 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 41' ' ' TRP . . . . . . . . . . . . . 59.5 t-105 -39.69 -43.63 1.41 Allowed 'General case' 0 N--CA 1.453 -0.307 0 C-N-CA 123.444 0.698 . . . . 0.0 112.391 171.176 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 42' ' ' HIS . . . . . . . . . . . . . 75.9 m80 -59.77 -18.44 43.32 Favored 'General case' 0 CA--C 1.533 0.298 0 N-CA-C 113.056 0.762 . . . . 0.0 113.056 -174.422 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -79.15 -18.8 52.48 Favored 'General case' 0 CA--C 1.535 0.374 0 C-N-CA 123.008 0.523 . . . . 0.0 111.909 176.5 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 26.3 mt -63.82 130.7 45.24 Favored 'General case' 0 C--O 1.233 0.216 0 CA-C-N 119.023 0.829 . . . . 0.0 110.123 177.881 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 83.6 p -59.19 156.91 11.39 Favored 'General case' 0 CA--C 1.529 0.146 0 N-CA-C 108.875 -0.787 . . . . 0.0 108.875 169.507 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 4.2 mmp_? -53.32 -32.22 47.93 Favored 'General case' 0 CA--C 1.535 0.369 0 O-C-N 121.581 -0.7 . . . . 0.0 111.556 177.195 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 46.8 mp0 -69.93 -50.38 42.65 Favored 'General case' 0 N--CA 1.453 -0.285 0 C-N-CA 123.672 0.789 . . . . 0.0 110.648 176.626 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 42.0 mt-10 -55.39 -44.55 76.21 Favored 'General case' 0 CA--C 1.529 0.17 0 O-C-N 122.17 -0.331 . . . . 0.0 110.359 175.024 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 75.2 mt-30 -55.33 -59.59 4.58 Favored 'General case' 0 N--CA 1.452 -0.333 0 N-CA-C 108.976 -0.75 . . . . 0.0 108.976 173.902 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -45.77 -44.5 13.97 Favored 'General case' 0 CA--C 1.533 0.323 0 C-N-CA 123.895 0.878 . . . . 0.0 112.193 -179.253 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 6.6 pttt -44.46 -43.21 7.64 Favored 'General case' 0 CA--C 1.531 0.239 0 C-N-CA 123.173 0.589 . . . . 0.0 111.354 176.594 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 52' ' ' TYR . . . . . . . . . . . . . 49.2 m-85 -66.12 -36.5 83.33 Favored 'General case' 0 N--CA 1.452 -0.367 0 N-CA-C 112.94 0.719 . . . . 0.0 112.94 -178.062 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 53' ' ' TYR . . . . . . . . . . . . . 36.7 m-85 -69.28 -42.46 75.46 Favored 'General case' 0 N--CA 1.453 -0.305 0 N-CA-C 107.153 -1.425 . . . . 0.0 107.153 -178.349 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 42.8 mt-10 -54.15 -58.39 7.55 Favored 'General case' 0 CA--C 1.535 0.366 0 CA-C-N 116.147 -0.479 . . . . 0.0 109.805 169.837 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 1.3 mt -51.8 -57.93 7.91 Favored 'General case' 0 N--CA 1.464 0.225 0 C-N-CA 123.643 0.777 . . . . 0.0 111.194 -177.861 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -44.65 -49.91 10.1 Favored 'General case' 0 N--CA 1.453 -0.324 0 C-N-CA 124.223 1.009 . . . . 0.0 109.852 175.797 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 91.1 mtt-85 -66.03 -35.05 79.51 Favored 'General case' 0 CA--C 1.536 0.413 0 N-CA-C 113.046 0.758 . . . . 0.0 113.046 177.691 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 30.8 mmtp -56.5 -51.77 67.26 Favored 'General case' 0 CA--C 1.53 0.195 0 CA-C-N 119.557 1.071 . . . . 0.0 109.735 170.014 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 37.7 mm-40 -56.5 -47.89 78.33 Favored 'General case' 0 CA--C 1.535 0.374 0 C-N-CA 122.747 0.419 . . . . 0.0 110.699 177.096 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 60' ' ' ARG . . . . . . . . . . . . . 40.5 ttt180 -51.13 -54.94 20.59 Favored 'General case' 0 CA--C 1.531 0.231 0 C-N-CA 125.804 1.642 . . . . 0.0 110.228 178.847 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 61' ' ' GLN . . . . . . . . . . . . . 32.1 mt-30 -63.2 -53.33 54.88 Favored 'General case' 0 CA--C 1.53 0.183 0 C-N-CA 122.898 0.479 . . . . 0.0 110.443 178.635 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 43.8 tp -46.86 -49.64 19.85 Favored 'General case' 0 CA--C 1.527 0.095 0 C-N-CA 124.089 0.956 . . . . 0.0 110.097 179.912 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 63' ' ' HIS . . . . . . . . . . . . . 12.4 t-80 -53.26 -34.26 56.46 Favored 'General case' 0 CA--C 1.533 0.29 0 C-N-CA 123.942 0.897 . . . . 0.0 112.653 -179.483 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 64' ' ' MET . . . . . . . . . . . . . 74.3 mtp -65.92 -32.09 73.39 Favored 'General case' 0 CA--C 1.53 0.191 0 CA-C-N 118.672 0.669 . . . . 0.0 110.436 176.479 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 65' ' ' GLN . . . . . . . . . . . . . 15.9 mt-30 -78.83 -43.04 26.1 Favored 'General case' 0 N--CA 1.452 -0.347 0 N-CA-C 108.619 -0.882 . . . . 0.0 108.619 179.592 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 40.5 mt -59.53 -47.36 85.82 Favored 'General case' 0 CA--C 1.531 0.242 0 C-N-CA 122.418 0.287 . . . . 0.0 110.592 177.071 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 67' ' ' TYR . . . . . . . . . . . . . 76.6 m-85 -138.75 78.11 31.53 Favored Pre-proline 0 CA--C 1.533 0.293 0 C-N-CA 123.529 0.732 . . . . 0.0 111.289 -174.23 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 68' ' ' PRO . . . . . . . . . . . . . 84.4 Cg_exo -48.43 -41.41 36.18 Favored 'Trans proline' 0 N--CA 1.457 -0.648 0 C-N-CA 123.883 3.055 . . . . 0.0 112.862 177.568 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . -120.71 38.19 2.79 Favored Glycine 0 C--N 1.338 0.684 0 CA-C-O 119.496 -0.613 . . . . 0.0 113.278 -176.559 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 70' ' ' TRP . . . . . . . . . . . . . 3.8 t90 -64.78 111.45 2.79 Favored 'General case' 0 C--N 1.338 0.107 0 N-CA-C 105.592 -2.003 . . . . 0.0 105.592 168.083 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 1.3 m -55.53 105.47 0.18 Allowed 'General case' 0 N--CA 1.452 -0.339 0 N-CA-C 106.573 -1.64 . . . . 0.0 106.573 170.882 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -38.93 -61.85 0.69 Allowed 'General case' 0 N--CA 1.452 -0.335 0 O-C-N 124.542 1.151 . . . . 0.0 110.398 -168.607 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 73' ' ' ARG . . . . . 0.498 ' CG ' " H4'" ' B' ' 12' ' ' ' DG' 0.472 0.1 OUTLIER -92.03 30.7 1.37 Allowed 'General case' 0 N--CA 1.447 -0.607 0 N-CA-C 118.752 2.871 . . . . 0.0 118.752 -176.001 . . . . . . . . 4 4 . 1 . 007 nuclear orig full ' A' A ' 74' ' ' ASP . . . . . . . . . . . . . 14.6 t70 -49.77 -34.85 20.47 Favored 'General case' 0 CA--C 1.536 0.405 0 CA-C-O 121.789 0.804 . . . . 0.0 109.479 168.372 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 75' ' ' ASN . . . . . . . . . . . . . 1.9 m120 -79.22 -18.06 53.63 Favored 'General case' 0 CA--C 1.54 0.564 0 C-N-CA 125.712 1.605 . . . . 0.0 112.836 -174.37 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 76' ' ' TYR . . . . . . . . . . . . . 3.2 t80 -60.7 130.85 48.59 Favored 'General case' 0 N--CA 1.468 0.461 0 CA-C-N 120.1 1.318 . . . . 0.0 111.654 -168.437 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 62.24 10.43 28.05 Favored Glycine 0 CA--C 1.531 1.088 0 CA-C-O 118.952 -0.915 . . . . 0.0 113.881 -178.571 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 46.9 mmtm -76.75 -31.33 57.02 Favored 'General case' 0 C--N 1.34 0.192 0 CA-C-N 119.429 1.615 . . . . 0.0 109.894 176.792 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 40.2 mtmt -72.18 130.51 41.01 Favored 'General case' 0 N--CA 1.453 -0.279 0 N-CA-C 105.442 -2.059 . . . . 0.0 105.442 167.942 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 44.3 mmtm -75.01 81.35 2.21 Favored 'General case' 0 CA--C 1.533 0.317 0 CA-C-O 121.535 0.684 . . . . 0.0 109.989 -172.338 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 13.9 tppt? -63.38 76.22 0.03 OUTLIER 'General case' 0 CA--C 1.536 0.417 0 C-N-CA 126.839 2.056 . . . . 0.0 112.583 -172.866 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 82' ' ' ARG . . . . . . . . . . . . . 47.9 mtp180 -45.14 -39.99 6.61 Favored 'General case' 0 CA--C 1.534 0.35 0 C-N-CA 125.848 1.659 . . . . 0.0 112.117 170.856 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . 48.9 mtmt -62.9 -18.46 63.06 Favored 'General case' 0 CA--C 1.538 0.488 0 N-CA-C 113.293 0.849 . . . . 0.0 113.293 178.56 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 84' ' ' ARG . . . . . . . . . . . . . 82.8 mtt180 62.12 -146.11 0.4 Allowed 'General case' 0 CA--C 1.534 0.329 0 C-N-CA 125.164 1.386 . . . . 0.0 110.593 -176.165 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 35.9 mm-40 -69.66 70.57 0.31 Allowed 'General case' 0 CA--C 1.534 0.36 0 C-N-CA 125.191 1.396 . . . . 0.0 113.965 -168.939 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 41.0 mmtm . . . . . 0 CA--C 1.529 0.147 0 C-N-CA 124.707 1.203 . . . . 0.0 109.246 169.894 . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' B' B ' 1' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.53 2.356 1 O4'-C1'-N19 111.301 4.376 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 2' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.534 2.815 0 O4'-C1'-N19 110.348 3.185 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' B' B ' 3' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.414 -2.865 0 C4'-C3'-C2' 99.906 -3.294 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' B' B ' 4' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.412 -3.077 1 P-O3'-C3' 124.862 4.302 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 5' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.409 -3.391 0 C4'-C3'-C2' 99.424 -3.776 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' B' B ' 6' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.413 -2.972 0 O4'-C1'-N19 109.407 2.009 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' B' B ' 7' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.418 -2.585 0 C4'-C3'-C2' 100.246 -2.954 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' B' B ' 8' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.407 -3.501 0 O4'-C4'-C3' 108.568 2.968 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' B' B ' 9' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.418 -2.531 0 P-O3'-C3' 123.397 3.081 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' B' B ' 10' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.531 2.554 0 P-O3'-C3' 123.495 3.163 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' B' B ' 11' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.53 2.399 1 O4'-C1'-N19 114.164 7.955 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 12' ' ' ' DG' . . . . . 0.498 " H4'" ' CG ' ' A' ' 73' ' ' ARG . . . . . . . . 0 O4'--C4' 1.415 -2.844 1 O4'-C4'-C3' 110.304 4.704 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 13' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.409 -3.384 1 O4'-C1'-N19 111.259 4.324 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 14' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.534 2.852 0 O4'-C1'-N19 110.383 3.229 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' B' B ' 15' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.41 -3.254 0 O4'-C1'-N19 109.904 2.63 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' C' C ' 1' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.415 -2.796 1 O4'-C1'-N19 112.148 5.435 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' C' C ' 2' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.532 2.591 0 O4'-C1'-N19 110.235 3.043 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' C' C ' 3' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.416 -2.725 2 O4'-C1'-N19 115.497 9.622 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' C' C ' 4' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.535 3.028 0 O4'-C4'-C3' 108.102 2.502 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' C' C ' 5' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.412 -3.136 1 O4'-C1'-N19 112.651 6.064 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' C' C ' 6' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.419 -2.441 0 O4'-C1'-N19 110.821 3.776 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' C' C ' 7' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.412 -3.114 0 O4'-C4'-C3' 109.497 3.897 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' C' C ' 8' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.406 -3.594 0 C4'-C3'-C2' 99.963 -3.237 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' C' C ' 9' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.536 3.097 0 P-O3'-C3' 122.041 1.951 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' C' C ' 10' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.41 -3.255 0 C1'-O4'-C4' 105.369 -3.094 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' C' C ' 11' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.534 2.893 1 O4'-C1'-N19 111.282 4.353 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' C' C ' 12' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.417 -2.647 0 O3'-P-O5' 98.738 -2.769 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' C' C ' 13' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.414 -2.921 0 O4'-C1'-N19 110.996 3.996 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' C' C ' 14' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.413 -2.989 0 P-O3'-C3' 122.9 2.667 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' C' C ' 15' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.412 -3.067 0 C4'-C3'-C2' 100.444 -2.756 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 6.5 tmm? . . . . . 0 N--CA 1.45 -0.473 0 N-CA-C 107.183 -1.414 . . . . 0.0 107.183 . . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' 2' ' ' HIS . . . . . . . . . . . . . 20.8 m-70 -67.28 92.74 0.29 Allowed 'General case' 0 CA--C 1.531 0.236 0 C-N-CA 124.066 0.946 . . . . 0.0 109.707 178.807 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . 95.5 mt -78.79 126.77 38.99 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.217 0 N-CA-C 106.669 -1.604 . . . . 0.0 106.669 172.839 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -61.54 159.32 13.24 Favored 'General case' 0 N--CA 1.45 -0.469 0 CA-C-N 115.729 -0.669 . . . . 0.0 112.005 -171.504 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 13.0 mptt -90.72 162.33 33.74 Favored Pre-proline 0 N--CA 1.454 -0.245 0 N-CA-C 106.983 -1.488 . . . . 0.0 106.983 169.034 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 52.1 Cg_exo -55.7 116.97 3.53 Favored 'Trans proline' 0 N--CA 1.448 -1.175 0 N-CA-C 108.409 -1.42 . . . . 0.0 108.409 168.664 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 9.1 mp -63.27 90.99 0.05 OUTLIER 'General case' 0 N--CA 1.454 -0.24 0 CA-C-O 122.331 1.063 . . . . 0.0 110.228 170.001 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 91.0 m-20 -57.23 169.08 0.62 Allowed 'General case' 0 N--CA 1.443 -0.797 0 CA-C-N 113.53 -1.668 . . . . 0.0 110.51 173.789 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -37.94 -66.17 0.28 Allowed 'General case' 0 N--CA 1.452 -0.352 0 C-N-CA 125.6 1.56 . . . . 0.0 115.045 -168.222 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 10' ' ' PHE . . . . . . . . . . . . . 4.3 m-85 -67.18 -19.29 65.55 Favored 'General case' 0 N--CA 1.453 -0.292 0 O-C-N 121.355 -0.841 . . . . 0.0 112.356 -169.693 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 11' ' ' MET . . . . . . . . . . . . . 48.2 mmm -69.6 -33.92 73.36 Favored 'General case' 0 N--CA 1.455 -0.22 0 CA-C-N 118.716 0.689 . . . . 0.0 109.325 177.814 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 65.5 mt -76.48 -41.81 45.79 Favored 'General case' 0 CA--C 1.515 -0.378 0 N-CA-C 109.462 -0.57 . . . . 0.0 109.462 174.476 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 29.6 t80 -53.1 -47.82 68.28 Favored 'General case' 0 C--N 1.339 0.109 0 N-CA-C 109.086 -0.709 . . . . 0.0 109.086 177.06 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 14' ' ' MET . . . . . . . . . . . . . 28.6 ttm -53.55 -66.04 0.46 Allowed 'General case' 0 N--CA 1.444 -0.736 0 C-N-CA 124.282 1.033 . . . . 0.0 110.237 170.202 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 14.0 mmtt -43.55 -44.29 6.03 Favored 'General case' 0 CA--C 1.537 0.453 0 CA-C-N 119.484 1.038 . . . . 0.0 112.516 -176.695 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 48.0 mt-10 -71.18 -65.21 0.77 Allowed 'General case' 0 CA--C 1.536 0.424 0 C-N-CA 123.507 0.723 . . . . 0.0 111.97 179.252 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 17' ' ' MET . . . . . . . . . . . . . 12.3 mtp -81.44 -28.95 33.98 Favored 'General case' 0 C--O 1.227 -0.083 0 N-CA-C 114.489 1.292 . . . . 0.0 114.489 -168.984 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 7.7 tmm_? -55.31 -41.43 72.36 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 121.476 -0.765 . . . . 0.0 112.23 -169.424 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -55.42 -46.11 76.7 Favored 'General case' 0 CA--C 1.534 0.35 0 O-C-N 121.425 -0.797 . . . . 0.0 111.176 172.215 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 20' ' ' ASN . . . . . . . . . . . . . 7.7 t30 -63.3 -46.22 87.76 Favored 'General case' 0 N--CA 1.453 -0.296 0 N-CA-C 109.573 -0.528 . . . . 0.0 109.573 178.27 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 64.3 t -51.69 -54.4 12.82 Favored 'Isoleucine or valine' 0 CA--C 1.521 -0.155 0 CA-C-N 118.168 0.44 . . . . 0.0 110.404 175.031 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 41.7 t -52.99 -50.22 45.61 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.374 0 N-CA-C 108.718 -0.845 . . . . 0.0 108.718 -178.203 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -54.4 -51.88 63.47 Favored 'General case' 0 CA--C 1.538 0.492 0 N-CA-C 112.265 0.468 . . . . 0.0 112.265 176.019 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 50.8 mt-10 -63.13 -57.53 10.27 Favored 'General case' 0 CA--C 1.533 0.312 0 CA-C-O 121.626 0.727 . . . . 0.0 112.179 -177.311 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 85.9 p -79.59 -22.11 44.15 Favored 'General case' 0 CA--C 1.514 -0.423 0 N-CA-C 115.718 1.747 . . . . 0.0 115.718 -167.609 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 17.6 p 64.11 7.47 3.44 Favored 'General case' 0 C--N 1.319 -0.736 0 C-N-CA 126.753 2.021 . . . . 0.0 112.42 -169.039 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -78.5 161.85 26.77 Favored 'General case' 0 CA--C 1.516 -0.328 0 CA-C-N 119.01 0.823 . . . . 0.0 109.473 169.242 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 1.1 mptp? -136.58 -43.64 0.6 Allowed 'General case' 0 N--CA 1.449 -0.521 0 CA-C-N 115.093 -0.958 . . . . 0.0 109.782 174.717 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 2.7 mp0 -38.88 103.13 0.03 OUTLIER 'General case' 0 C--O 1.236 0.348 0 C-N-CA 127.203 2.201 . . . . 0.0 109.229 -174.83 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 8.0 t -53.77 -37.0 62.99 Favored 'General case' 0 N--CA 1.447 -0.624 0 N-CA-C 113.89 1.07 . . . . 0.0 113.89 -167.623 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -64.81 -37.43 87.6 Favored 'General case' 0 CA--C 1.535 0.391 0 CA-C-N 119.682 1.128 . . . . 0.0 112.362 178.109 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -68.47 -49.29 60.87 Favored 'General case' 0 CA--C 1.527 0.089 0 CA-C-O 122.196 0.998 . . . . 0.0 108.832 175.642 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 33' ' ' ILE . . . . . . . . . . . . . 7.5 mm -58.22 -37.37 62.29 Favored 'Isoleucine or valine' 0 CA--C 1.545 0.786 0 C-N-CA 124.885 1.274 . . . . 0.0 111.553 -179.612 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 3.8 m-80 -58.96 -46.96 86.77 Favored 'General case' 0 N--CA 1.462 0.157 0 C-N-CA 124.134 0.974 . . . . 0.0 111.195 170.737 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 38.1 mt-30 -64.51 -40.37 95.51 Favored 'General case' 0 CA--C 1.533 0.294 0 O-C-N 121.81 -0.556 . . . . 0.0 110.932 177.605 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 19.7 mt -51.12 -54.81 9.45 Favored 'Isoleucine or valine' 0 C--N 1.34 0.194 0 N-CA-C 109.57 -0.53 . . . . 0.0 109.57 170.207 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 15.2 mt -55.75 -42.9 76.11 Favored 'General case' 0 CA--C 1.535 0.396 0 CA-C-N 118.577 0.626 . . . . 0.0 111.087 177.712 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -47.24 -52.28 13.4 Favored Glycine 0 CA--C 1.529 0.911 0 N-CA-C 111.077 -0.809 . . . . 0.0 111.077 172.096 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -60.51 -56.68 18.44 Favored 'General case' 0 N--CA 1.447 -0.62 0 O-C-N 121.779 -0.836 . . . . 0.0 110.972 174.434 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 61.4 mtt180 -58.56 -32.05 68.55 Favored 'General case' 0 CA--C 1.52 -0.175 0 O-C-N 121.832 -0.543 . . . . 0.0 111.89 -169.086 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 41' ' ' TRP . . . . . . . . . . . . . 63.0 t-105 -45.19 -40.13 6.94 Favored 'General case' 0 N--CA 1.451 -0.375 0 N-CA-C 112.457 0.54 . . . . 0.0 112.457 171.857 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 42' ' ' HIS . . . . . . . . . . . . . 64.7 m80 -59.85 -18.94 48.11 Favored 'General case' 0 CA--C 1.532 0.274 0 C-N-CA 123.481 0.712 . . . . 0.0 112.648 -177.009 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -79.33 -19.68 49.71 Favored 'General case' 0 CA--C 1.535 0.389 0 C-N-CA 123.018 0.527 . . . . 0.0 111.898 176.054 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 16.3 mt -70.0 127.12 31.76 Favored 'General case' 0 N--CA 1.455 -0.216 0 CA-C-N 118.91 0.777 . . . . 0.0 110.906 -177.873 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 79.4 p -58.15 155.09 11.79 Favored 'General case' 0 CA--C 1.533 0.291 0 N-CA-C 108.255 -1.017 . . . . 0.0 108.255 168.486 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -55.57 -27.04 46.84 Favored 'General case' 0 CA--C 1.538 0.493 0 CA-C-N 119.279 0.945 . . . . 0.0 111.32 178.886 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 39.6 mp0 -68.94 -52.62 27.26 Favored 'General case' 0 CA--C 1.532 0.268 0 C-N-CA 123.65 0.78 . . . . 0.0 110.801 174.397 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 27.3 mt-10 -53.83 -42.84 68.91 Favored 'General case' 0 C--O 1.224 -0.24 0 O-C-N 122.194 -0.316 . . . . 0.0 110.391 173.787 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 75.0 mt-30 -58.08 -58.9 6.39 Favored 'General case' 0 N--CA 1.451 -0.42 0 N-CA-C 109.359 -0.608 . . . . 0.0 109.359 174.287 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -44.6 -43.68 8.34 Favored 'General case' 0 C--O 1.234 0.263 0 C-N-CA 125.148 1.379 . . . . 0.0 112.303 -177.767 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 4.0 pttp -47.9 -41.06 23.53 Favored 'General case' 0 CA--C 1.535 0.397 0 CA-C-N 117.668 0.213 . . . . 0.0 111.549 178.228 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 52' ' ' TYR . . . . . . . . . . . . . 57.2 m-85 -61.79 -35.76 79.11 Favored 'General case' 0 N--CA 1.453 -0.297 0 O-C-N 121.49 -0.756 . . . . 0.0 112.803 -179.886 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 53' ' ' TYR . . . . . . . . . . . . . 35.3 m-85 -72.59 -33.07 66.46 Favored 'General case' 0 N--CA 1.452 -0.346 0 N-CA-C 108.064 -1.087 . . . . 0.0 108.064 -175.204 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 41.7 mt-10 -65.9 -62.46 1.48 Allowed 'General case' 0 CA--C 1.534 0.336 0 C-N-CA 123.289 0.636 . . . . 0.0 109.507 169.714 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 5.8 mp -43.01 -51.98 5.45 Favored 'General case' 0 N--CA 1.464 0.241 0 C-N-CA 124.717 1.207 . . . . 0.0 112.568 177.11 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -45.15 -48.61 12.26 Favored 'General case' 0 CA--C 1.538 0.499 0 C-N-CA 123.494 0.717 . . . . 0.0 110.061 176.636 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 63.7 mtt85 -75.08 -32.7 61.54 Favored 'General case' 0 N--CA 1.454 -0.266 0 C-N-CA 123.984 0.913 . . . . 0.0 112.13 -179.302 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 31.5 mmtp -58.13 -49.81 75.66 Favored 'General case' 0 CA--C 1.532 0.27 0 O-C-N 121.01 -1.056 . . . . 0.0 109.531 170.6 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -60.7 -42.85 98.01 Favored 'General case' 0 CA--C 1.534 0.333 0 C-N-CA 123.819 0.847 . . . . 0.0 110.317 177.048 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 60' ' ' ARG . . . . . . . . . . . . . 27.5 ttm180 -54.68 -52.46 62.29 Favored 'General case' 0 CA--C 1.537 0.456 0 C-N-CA 123.578 0.751 . . . . 0.0 110.892 174.8 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 61' ' ' GLN . . . . . . . . . . . . . 31.7 mt-30 -63.58 -43.14 97.84 Favored 'General case' 0 CA--C 1.53 0.182 0 O-C-N 121.489 -0.757 . . . . 0.0 110.713 179.139 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 45.2 tp -52.48 -54.38 33.21 Favored 'General case' 0 N--CA 1.455 -0.18 0 N-CA-C 108.93 -0.766 . . . . 0.0 108.93 174.079 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 63' ' ' HIS . . . . . . . . . . . . . 0.8 OUTLIER -49.35 -45.17 45.29 Favored 'General case' 0 CA--C 1.53 0.196 0 C-N-CA 124.281 1.032 . . . . 0.0 111.114 176.944 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 64' ' ' MET . . . . . . . . . . . . . 0.3 OUTLIER -57.63 -32.22 67.03 Favored 'General case' 0 CA--C 1.536 0.44 0 CA-C-N 118.235 0.47 . . . . 0.0 111.685 177.725 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 65' ' ' GLN . . . . . . . . . . . . . 25.9 mt-30 -79.14 -44.0 22.87 Favored 'General case' 0 CA--C 1.531 0.224 0 CA-C-N 118.453 0.57 . . . . 0.0 110.069 175.519 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 22.7 mt -55.64 -41.54 73.73 Favored 'General case' 0 CA--C 1.53 0.202 0 C-N-CA 122.79 0.436 . . . . 0.0 110.466 178.783 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 67' ' ' TYR . . . . . . . . . . . . . 76.8 m-85 -130.8 89.95 41.54 Favored Pre-proline 0 C--O 1.234 0.282 0 C-N-CA 124.431 1.092 . . . . 0.0 109.297 179.295 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 68' ' ' PRO . . . . . . . . . . . . . 77.6 Cg_exo -56.93 79.44 0.04 OUTLIER 'Trans proline' 0 N--CA 1.458 -0.602 0 C-N-CA 124.97 3.78 . . . . 0.0 112.753 177.471 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . 93.53 45.69 3.4 Favored Glycine 0 CA--C 1.525 0.661 0 C-N-CA 124.328 0.966 . . . . 0.0 112.106 -179.056 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 70' ' ' TRP . . . . . . . . . . . . . 8.2 t90 -56.31 110.65 0.8 Allowed 'General case' 0 C--N 1.34 0.177 0 N-CA-C 107.072 -1.455 . . . . 0.0 107.072 168.194 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 4.1 m -49.7 117.72 2.42 Favored 'General case' 0 N--CA 1.447 -0.605 0 N-CA-C 107.803 -1.184 . . . . 0.0 107.803 172.395 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -39.6 -64.0 0.52 Allowed 'General case' 0 C--O 1.224 -0.254 0 O-C-N 124.149 0.905 . . . . 0.0 111.126 -169.008 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 73' ' ' ARG . . . . . . . . . . . . 0.432 0.1 OUTLIER -92.07 66.82 5.0 Favored 'General case' 0 CA--C 1.518 -0.263 0 N-CA-C 117.416 2.376 . . . . 0.0 117.416 169.636 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 74' ' ' ASP . . . . . . . . . . . . . 36.0 t70 -64.52 -27.18 68.79 Favored 'General case' 0 CA--C 1.541 0.615 0 N-CA-C 107.558 -1.275 . . . . 0.0 107.558 166.124 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 75' ' ' ASN . . . . . . . . . . . . . 25.3 m120 -135.86 61.37 1.65 Allowed 'General case' 0 CA--C 1.538 0.504 0 C-N-CA 124.524 1.13 . . . . 0.0 112.935 -169.755 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 76' ' ' TYR . . . . . . . . . . . . . 10.6 t80 -90.24 145.02 25.32 Favored 'General case' 0 N--CA 1.47 0.57 0 CA-C-N 119.672 1.123 . . . . 0.0 108.137 169.073 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 53.61 44.6 68.55 Favored Glycine 0 CA--C 1.532 1.136 0 CA-C-N 118.692 0.678 . . . . 0.0 112.489 175.412 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 49.1 mmtm -101.68 -39.38 7.48 Favored 'General case' 0 N--CA 1.457 -0.087 0 C-N-CA 124.186 0.995 . . . . 0.0 109.637 175.979 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 53.7 mttm -70.04 132.32 45.7 Favored 'General case' 0 N--CA 1.45 -0.462 0 N-CA-C 106.004 -1.85 . . . . 0.0 106.004 168.757 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 95.3 mttt -79.98 61.37 3.84 Favored 'General case' 0 CA--C 1.534 0.363 0 C-N-CA 123.686 0.794 . . . . 0.0 109.404 -172.929 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 36.2 ttpt -58.28 107.64 0.51 Allowed 'General case' 0 CA--C 1.534 0.357 0 C-N-CA 124.52 1.128 . . . . 0.0 111.281 -169.72 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 82' ' ' ARG . . . . . . . . . . . . . 4.2 mtt180 -60.95 -43.49 98.62 Favored 'General case' 0 CA--C 1.527 0.087 0 C-N-CA 123.164 0.586 . . . . 0.0 110.208 178.044 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . 27.6 ttpt -78.61 53.09 1.27 Allowed 'General case' 0 CA--C 1.535 0.375 0 C-N-CA 124.683 1.193 . . . . 0.0 110.858 -178.198 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 84' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -65.33 110.84 2.76 Favored 'General case' 0 N--CA 1.454 -0.264 0 N-CA-C 105.074 -2.195 . . . . 0.0 105.074 169.268 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 43.5 mp0 -72.6 69.69 0.89 Allowed 'General case' 0 CA--C 1.532 0.258 0 C-N-CA 123.847 0.859 . . . . 0.0 110.695 -169.638 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 24.5 pttm . . . . . 0 CA--C 1.531 0.212 0 O-C-N 121.689 -0.632 . . . . 0.0 110.5 -179.676 . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' B' B ' 1' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.529 2.263 1 O4'-C1'-N19 111.692 4.864 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 2' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.413 -3.003 1 O4'-C1'-N19 112.18 5.475 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 3' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.421 -2.31 0 P-O3'-C3' 123.565 3.221 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' B' B ' 4' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.416 -2.753 0 P-O3'-C3' 123.453 3.128 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' B' B ' 5' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.41 -3.268 0 C4'-C3'-C2' 100.008 -3.192 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' B' B ' 6' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.412 -3.049 0 O4'-C1'-N19 109.573 2.216 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' B' B ' 7' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.415 -2.857 0 C4'-C3'-C2' 99.975 -3.225 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' B' B ' 8' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.407 -3.564 0 O4'-C4'-C3' 108.746 3.146 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' B' B ' 9' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.415 -2.824 0 O4'-C1'-N19 110.459 3.324 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' B' B ' 10' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.532 2.597 0 O4'-C1'-C2' 103.435 -2.423 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' B' B ' 11' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.529 2.275 2 O4'-C1'-N19 114.255 8.069 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 12' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.417 -2.67 1 O4'-C4'-C3' 110.237 4.637 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 13' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.409 -3.362 1 O4'-C1'-N19 111.532 4.665 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 14' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.532 2.676 0 O4'-C1'-N19 110.432 3.289 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' B' B ' 15' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.411 -3.201 0 O4'-C1'-N19 109.921 2.651 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' C' C ' 1' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.416 -2.747 1 O4'-C1'-N19 112.141 5.426 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' C' C ' 2' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.531 2.525 0 O4'-C1'-C2' 102.929 -2.882 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' C' C ' 3' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.417 -2.634 2 O4'-C1'-N19 115.752 9.94 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' C' C ' 4' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.534 2.903 0 P-O3'-C3' 122.599 2.416 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' C' C ' 5' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.41 -3.27 0 O4'-C1'-N19 110.827 3.783 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' C' C ' 6' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.531 2.481 1 O4'-C1'-N19 111.358 4.447 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' C' C ' 7' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.417 -2.665 0 O4'-C4'-C3' 109.207 3.607 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' C' C ' 8' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.405 -3.772 2 C4'-C3'-C2' 98.493 -4.707 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' C' C ' 9' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.411 -3.21 0 C5'-C4'-C3' 111.289 -2.274 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' C' C ' 10' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.416 -2.761 1 O4'-C1'-N19 111.34 4.425 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' C' C ' 11' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.535 2.982 0 O4'-C4'-C3' 108.004 2.404 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' C' C ' 12' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.531 2.533 0 O3'-P-O5' 98.629 -2.827 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' C' C ' 13' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.414 -2.904 0 O4'-C1'-C2' 102.649 -3.138 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' C' C ' 14' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.41 -3.243 0 O4'-C1'-C2' 102.997 -2.821 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' C' C ' 15' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.419 -2.438 1 O4'-C1'-N19 111.947 5.184 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 65.9 mtm . . . . . 0 CA--C 1.531 0.222 0 CA-C-O 121.129 0.49 . . . . 0.0 109.702 . . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' 2' ' ' HIS . . . . . . . . . . . . . 16.5 m-70 -67.85 85.25 0.21 Allowed 'General case' 0 N--CA 1.455 -0.206 0 C-N-CA 123.525 0.73 . . . . 0.0 109.664 -179.846 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . 63.8 mt -77.99 108.4 11.27 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.382 0 N-CA-C 104.851 -2.278 . . . . 0.0 104.851 173.559 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 9.5 mmpt? -57.64 145.73 33.03 Favored 'General case' 0 N--CA 1.448 -0.567 0 CA-C-N 114.756 -1.111 . . . . 0.0 110.211 -171.164 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 10.8 mptt -76.97 161.46 73.48 Favored Pre-proline 0 N--CA 1.454 -0.23 0 C-N-CA 124.746 1.218 . . . . 0.0 110.006 -177.516 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 59.6 Cg_endo -66.04 98.85 0.38 Allowed 'Trans proline' 0 N--CA 1.451 -1.015 0 C-N-CA 122.312 2.008 . . . . 0.0 109.719 172.353 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 2.9 mm? -39.47 106.05 0.05 OUTLIER 'General case' 0 CA--C 1.533 0.295 0 C-N-CA 126.686 1.994 . . . . 0.0 110.984 172.991 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 12.3 p-10 -80.15 175.94 10.2 Favored 'General case' 0 N--CA 1.449 -0.485 0 C-N-CA 124.845 1.258 . . . . 0.0 111.251 -178.977 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -38.72 -69.09 0.13 Allowed 'General case' 0 N--CA 1.454 -0.239 0 C-N-CA 125.977 1.711 . . . . 0.0 113.946 -169.0 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 10' ' ' PHE . . . . . . . . . . . . . 4.3 m-85 -68.52 -20.49 64.57 Favored 'General case' 0 N--CA 1.452 -0.357 0 O-C-N 121.699 -0.626 . . . . 0.0 111.489 -170.436 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 11' ' ' MET . . . . . . . . . . . . . 78.0 mmm -75.49 -38.47 59.49 Favored 'General case' 0 N--CA 1.45 -0.447 0 N-CA-C 108.953 -0.758 . . . . 0.0 108.953 178.69 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 65.7 mt -63.91 -44.99 91.27 Favored 'General case' 0 N--CA 1.461 0.101 0 O-C-N 121.655 -0.653 . . . . 0.0 109.288 169.831 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 20.4 t80 -54.24 -46.54 72.59 Favored 'General case' 0 CA--C 1.529 0.145 0 N-CA-C 109.586 -0.524 . . . . 0.0 109.586 178.614 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 14' ' ' MET . . . . . . . . . . . . . 32.0 ttm -53.45 -62.51 1.61 Allowed 'General case' 0 N--CA 1.45 -0.454 0 C-N-CA 123.407 0.683 . . . . 0.0 110.119 170.723 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 18.9 mttt -46.37 -43.96 16.6 Favored 'General case' 0 CA--C 1.536 0.416 0 CA-C-N 118.804 0.729 . . . . 0.0 111.976 -176.852 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 47.2 mt-10 -71.0 -66.19 0.64 Allowed 'General case' 0 CA--C 1.537 0.457 0 C-N-CA 123.132 0.573 . . . . 0.0 111.882 178.71 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 17' ' ' MET . . . . . . . . . . . . . 9.2 mtp -81.42 -29.26 33.95 Favored 'General case' 0 C--O 1.227 -0.102 0 N-CA-C 114.635 1.346 . . . . 0.0 114.635 -169.002 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 7.2 tmm_? -55.33 -43.85 75.33 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 119.338 0.972 . . . . 0.0 111.114 -173.636 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -52.77 -47.88 67.2 Favored 'General case' 0 CA--C 1.533 0.319 0 O-C-N 121.99 -0.444 . . . . 0.0 110.762 172.685 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 20' ' ' ASN . . . . . . . . . . . . . 3.1 t30 -60.56 -50.43 73.56 Favored 'General case' 0 C--O 1.223 -0.306 0 N-CA-C 109.657 -0.498 . . . . 0.0 109.657 177.066 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 78.5 t -50.46 -51.25 19.32 Favored 'Isoleucine or valine' 0 N--CA 1.46 0.066 0 CA-C-N 118.893 0.77 . . . . 0.0 110.438 178.053 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 49.9 t -61.27 -37.18 76.99 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.374 0 C-N-CA 122.699 0.4 . . . . 0.0 110.038 -178.275 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -66.11 -46.3 78.08 Favored 'General case' 0 CA--C 1.538 0.482 0 O-C-N 121.762 -0.586 . . . . 0.0 112.306 173.908 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 28.9 mt-10 -69.97 -53.44 17.76 Favored 'General case' 0 CA--C 1.53 0.193 0 C-N-CA 123.085 0.554 . . . . 0.0 111.272 -175.662 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 53.3 p -84.2 175.86 9.16 Favored 'General case' 0 N--CA 1.451 -0.394 0 C-N-CA 124.005 0.922 . . . . 0.0 110.649 -169.867 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 4.3 p -83.39 -9.35 59.09 Favored 'General case' 0 N--CA 1.447 -0.585 0 C-N-CA 123.621 0.768 . . . . 0.0 111.24 169.9 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -90.55 155.7 18.69 Favored 'General case' 0 N--CA 1.448 -0.556 0 CA-C-O 122.264 1.03 . . . . 0.0 112.863 -169.694 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 7.9 mptt -137.64 -41.83 0.55 Allowed 'General case' 0 N--CA 1.45 -0.468 0 CA-C-N 113.573 -1.648 . . . . 0.0 109.081 173.729 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 2.9 mp0 -39.07 107.13 0.06 Allowed 'General case' 0 C--O 1.236 0.382 0 C-N-CA 127.257 2.223 . . . . 0.0 110.215 -177.888 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 12.1 t -54.49 -47.59 72.85 Favored 'General case' 0 N--CA 1.448 -0.56 0 CA-C-O 119.014 -0.517 . . . . 0.0 112.227 -168.583 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -55.86 -40.35 72.77 Favored 'General case' 0 CA--C 1.535 0.384 0 CA-C-N 120.192 1.36 . . . . 0.0 112.922 -178.278 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -70.17 -51.03 34.43 Favored 'General case' 0 CA--C 1.53 0.192 0 CA-C-O 121.708 0.765 . . . . 0.0 109.746 176.462 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 33' ' ' ILE . . . . . . . . . . . . . 6.8 mm -52.86 -37.63 26.22 Favored 'Isoleucine or valine' 0 CA--C 1.545 0.783 0 C-N-CA 124.582 1.153 . . . . 0.0 111.833 178.702 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 80.5 m-20 -71.39 -36.96 71.57 Favored 'General case' 0 C--N 1.328 -0.34 0 O-C-N 120.551 -1.343 . . . . 0.0 109.713 -179.039 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 38.5 mt-30 -65.38 -37.22 86.34 Favored 'General case' 0 CA--C 1.533 0.322 0 O-C-N 121.797 -0.564 . . . . 0.0 110.036 169.594 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 18.3 mt -54.84 -48.6 73.74 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.316 0 CA-C-N 119.089 0.858 . . . . 0.0 110.39 169.927 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 4.2 mm? -54.54 -50.1 68.71 Favored 'General case' 0 CA--C 1.538 0.505 0 CA-C-N 120.008 1.277 . . . . 0.0 109.584 173.607 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -47.61 -48.18 23.01 Favored Glycine 0 CA--C 1.533 1.157 0 C-N-CA 123.483 0.564 . . . . 0.0 112.296 176.994 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -61.83 -63.84 1.13 Allowed 'General case' 0 N--CA 1.448 -0.543 0 C-N-CA 123.803 0.841 . . . . 0.0 109.998 175.074 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 83.0 mtt180 -55.52 -30.36 60.56 Favored 'General case' 0 C--O 1.231 0.094 0 C-N-CA 123.971 0.908 . . . . 0.0 112.084 -169.616 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 41' ' ' TRP . . . . . . . . . . . . . 60.6 t-105 -40.67 -43.53 1.96 Allowed 'General case' 0 N--CA 1.454 -0.255 0 C-N-CA 123.295 0.638 . . . . 0.0 112.476 171.267 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 42' ' ' HIS . . . . . . . . . . . . . 73.9 m80 -59.53 -20.75 57.8 Favored 'General case' 0 CA--C 1.533 0.303 0 N-CA-C 112.841 0.682 . . . . 0.0 112.841 -174.952 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -79.29 -18.26 53.01 Favored 'General case' 0 CA--C 1.534 0.349 0 C-N-CA 122.998 0.519 . . . . 0.0 111.953 177.073 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 28.4 mt -66.28 125.81 26.76 Favored 'General case' 0 CA--C 1.532 0.287 0 CA-C-N 118.882 0.765 . . . . 0.0 110.295 -179.363 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 80.0 p -56.65 160.79 3.1 Favored 'General case' 0 CA--C 1.531 0.232 0 N-CA-C 109.993 -0.373 . . . . 0.0 109.993 169.464 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 59.7 ttp180 -44.11 -46.12 8.48 Favored 'General case' 0 CA--C 1.535 0.369 0 C-N-CA 123.589 0.756 . . . . 0.0 111.027 172.822 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 48.8 mp0 -67.27 -49.57 63.8 Favored 'General case' 0 N--CA 1.452 -0.361 0 C-N-CA 123.616 0.767 . . . . 0.0 111.095 -178.761 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 33.9 mt-10 -55.36 -43.21 74.87 Favored 'General case' 0 C--O 1.224 -0.283 0 O-C-N 122.265 -0.272 . . . . 0.0 110.623 176.079 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 72.3 mt-30 -58.49 -58.88 6.57 Favored 'General case' 0 N--CA 1.455 -0.225 0 N-CA-C 109.1 -0.704 . . . . 0.0 109.1 174.219 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -45.61 -43.76 12.52 Favored 'General case' 0 C--O 1.235 0.327 0 C-N-CA 124.268 1.027 . . . . 0.0 112.325 -178.366 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 1.7 pttp -47.64 -40.91 20.89 Favored 'General case' 0 CA--C 1.533 0.31 0 C-N-CA 122.644 0.378 . . . . 0.0 111.437 178.018 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 52' ' ' TYR . . . . . . . . . . . . . 48.4 m-85 -65.31 -33.26 75.56 Favored 'General case' 0 N--CA 1.453 -0.307 0 N-CA-C 113.013 0.746 . . . . 0.0 113.013 -179.445 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 53' ' ' TYR . . . . . . . . . . . . . 40.7 m-85 -73.51 -42.78 61.36 Favored 'General case' 0 N--CA 1.45 -0.443 0 N-CA-C 107.277 -1.379 . . . . 0.0 107.277 -177.343 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 42.8 mt-10 -53.95 -61.53 2.24 Favored 'General case' 0 CA--C 1.535 0.373 0 CA-C-N 116.15 -0.477 . . . . 0.0 109.985 170.031 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 5.1 mp -48.58 -51.07 29.7 Favored 'General case' 0 C--O 1.224 -0.237 0 C-N-CA 124.247 1.019 . . . . 0.0 113.294 176.559 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -54.19 -45.09 72.07 Favored 'General case' 0 CA--C 1.533 0.303 0 CA-C-N 118.542 0.61 . . . . 0.0 109.824 177.914 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 75.9 mtp180 -63.06 -38.29 90.6 Favored 'General case' 0 CA--C 1.538 0.51 0 O-C-N 122.023 -0.423 . . . . 0.0 111.556 175.05 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 70.5 mmtt -58.67 -48.73 80.09 Favored 'General case' 0 C--O 1.224 -0.287 0 O-C-N 120.976 -1.077 . . . . 0.0 110.286 172.978 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 36.5 mm-40 -56.29 -50.96 69.9 Favored 'General case' 0 CA--C 1.532 0.255 0 C-N-CA 123.161 0.584 . . . . 0.0 110.662 177.326 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 60' ' ' ARG . . . . . . . . . . . . . 16.9 ttt85 -47.64 -57.29 5.67 Favored 'General case' 0 CA--C 1.534 0.342 0 C-N-CA 124.042 0.937 . . . . 0.0 110.472 173.839 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 61' ' ' GLN . . . . . . . . . . . . . 31.9 mt-30 -61.72 -52.43 64.31 Favored 'General case' 0 CA--C 1.531 0.248 0 O-C-N 122.119 -0.363 . . . . 0.0 110.676 -177.087 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 42.2 tp -46.61 -49.87 18.36 Favored 'General case' 0 CA--C 1.523 -0.077 0 C-N-CA 124.703 1.201 . . . . 0.0 109.667 177.102 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 63' ' ' HIS . . . . . . . . . . . . . 5.8 t-80 -51.32 -37.41 47.55 Favored 'General case' 0 CA--C 1.533 0.291 0 C-N-CA 123.403 0.681 . . . . 0.0 112.435 -179.941 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 64' ' ' MET . . . . . . . . . . . . . 75.0 mtp -66.24 -31.23 71.93 Favored 'General case' 0 C--O 1.224 -0.257 0 CA-C-N 118.387 0.54 . . . . 0.0 110.869 177.34 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 65' ' ' GLN . . . . . . . . . . . . . 16.8 mt-30 -78.27 -44.42 25.51 Favored 'General case' 0 N--CA 1.454 -0.254 0 N-CA-C 108.284 -1.006 . . . . 0.0 108.284 -179.665 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 46.4 mt -56.99 -45.43 82.96 Favored 'General case' 0 CA--C 1.532 0.256 0 C-N-CA 122.856 0.462 . . . . 0.0 110.336 175.382 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 67' ' ' TYR . . . . . . . . . . . . . 81.9 m-85 -133.93 86.06 38.91 Favored Pre-proline 0 CA--C 1.534 0.351 0 C-N-CA 123.949 0.9 . . . . 0.0 110.578 -176.888 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 68' ' ' PRO . . . . . . . . . . . . . 63.3 Cg_exo -42.18 -39.04 5.78 Favored 'Trans proline' 0 C--N 1.346 0.414 0 C-N-CA 125.16 3.907 . . . . 0.0 114.354 178.304 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . -133.16 51.39 0.85 Allowed Glycine 0 C--N 1.337 0.609 0 CA-C-O 119.744 -0.475 . . . . 0.0 112.084 175.92 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 70' ' ' TRP . . . . . 0.408 ' CZ2' ' O ' ' A' ' 72' ' ' ALA . 10.0 t90 -61.4 108.26 0.91 Allowed 'General case' 0 C--N 1.339 0.14 0 N-CA-C 106.827 -1.546 . . . . 0.0 106.827 168.202 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 2.4 m -53.88 111.78 0.81 Allowed 'General case' 0 N--CA 1.448 -0.554 0 N-CA-C 106.744 -1.576 . . . . 0.0 106.744 169.778 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 72' ' ' ALA . . . . . 0.408 ' O ' ' CZ2' ' A' ' 70' ' ' TRP . . . -39.78 -65.62 0.37 Allowed 'General case' 0 C--O 1.225 -0.233 0 O-C-N 124.246 0.967 . . . . 0.0 111.092 -169.155 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 73' ' ' ARG . . . . . 0.434 ' CG ' " H4'" ' B' ' 12' ' ' ' DG' 0.33 0.1 OUTLIER -90.75 74.21 6.61 Favored 'General case' 0 N--CA 1.451 -0.382 0 C-N-CA 118.957 -1.097 . . . . 0.0 113.934 173.103 . . . . . . . . 4 4 . 1 . 009 nuclear orig full ' A' A ' 74' ' ' ASP . . . . . . . . . . . . . 9.9 p-10 -57.93 -36.4 72.45 Favored 'General case' 0 CA--C 1.535 0.38 0 CA-C-N 115.078 -0.965 . . . . 0.0 110.206 169.083 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 75' ' ' ASN . . . . . . . . . . . . . 32.4 m-80 -147.15 78.52 1.48 Allowed 'General case' 0 C--N 1.34 0.165 0 C-N-CA 124.333 1.053 . . . . 0.0 109.736 -173.389 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 76' ' ' TYR . . . . . . . . . . . . . 30.6 t80 -91.3 144.61 25.42 Favored 'General case' 0 N--CA 1.466 0.373 0 C-N-CA 124.224 1.01 . . . . 0.0 110.239 169.656 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 63.01 26.89 69.57 Favored Glycine 0 CA--C 1.531 1.068 0 CA-C-O 119.721 -0.488 . . . . 0.0 113.822 171.364 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 33.2 mmtp -93.81 -43.48 8.58 Favored 'General case' 0 CA--C 1.53 0.199 0 C-N-CA 124.097 0.959 . . . . 0.0 111.084 -177.516 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 60.4 mttm -60.89 143.17 55.48 Favored 'General case' 0 C--O 1.234 0.266 0 N-CA-C 109.065 -0.717 . . . . 0.0 109.065 176.915 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 34.1 mmtp -76.44 71.41 3.1 Favored 'General case' 0 N--CA 1.453 -0.301 0 C-N-CA 123.203 0.601 . . . . 0.0 109.455 -179.432 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 7.3 ptmm? -82.24 65.21 7.27 Favored 'General case' 0 CA--C 1.537 0.448 0 N-CA-C 113.924 1.083 . . . . 0.0 113.924 -171.646 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 82' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER 17.19 -68.03 0.0 OUTLIER 'General case' 0 N--CA 1.464 0.266 0 C-N-CA 129.903 3.281 . . . . 0.0 117.254 168.208 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . 2.7 mptp? -53.42 -37.85 62.92 Favored 'General case' 0 CA--C 1.534 0.333 0 C-N-CA 124.29 1.036 . . . . 0.0 110.818 -175.708 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 84' ' ' ARG . . . . . . . . . . . . . 48.8 ttp180 -60.34 -56.1 25.57 Favored 'General case' 0 CA--C 1.531 0.234 0 N-CA-C 109.095 -0.706 . . . . 0.0 109.095 172.633 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 3.4 mp0 -73.63 46.22 0.21 Allowed 'General case' 0 CA--C 1.539 0.524 0 C-N-CA 124.131 0.972 . . . . 0.0 110.712 173.784 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 57.1 mttp . . . . . 0 CA--C 1.532 0.256 0 C-N-CA 124.326 1.05 . . . . 0.0 110.845 -169.795 . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' B' B ' 1' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.53 2.344 1 O4'-C1'-N19 112.046 5.308 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 2' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.418 -2.58 1 O4'-C1'-N19 111.012 4.015 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 3' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.531 2.44 0 O4'-C1'-N19 110.691 3.614 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' B' B ' 4' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.403 -3.87 0 P-O3'-C3' 123.226 2.939 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' B' B ' 5' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.41 -3.284 0 P-O3'-C3' 122.626 2.438 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' B' B ' 6' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.413 -2.992 0 C5'-C4'-C3' 111.111 -2.393 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' B' B ' 7' ' ' ' DT' . . . . . 0.404 " H2'" ' C6 ' ' B' ' 8' ' ' ' DT' . . . . . . . . 0 O4'--C4' 1.418 -2.556 0 C4'-C3'-C2' 100.63 -2.57 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 8' ' ' ' DT' . . . . . 0.404 ' C6 ' " H2'" ' B' ' 7' ' ' ' DT' . . . . . . . . 0 O4'--C4' 1.409 -3.363 0 O4'-C4'-C3' 109.192 3.592 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 9' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.533 2.806 0 P-O3'-C3' 123.148 2.873 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' B' B ' 10' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.535 2.967 0 P-O3'-C3' 122.711 2.509 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' B' B ' 11' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.53 2.404 2 O4'-C1'-N19 114.666 8.582 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 12' ' ' ' DG' . . . . . 0.434 " H4'" ' CG ' ' A' ' 73' ' ' ARG . . . . . . . . 0 O4'--C4' 1.419 -2.454 2 O4'-C4'-C3' 110.139 4.539 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 13' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.411 -3.189 1 O4'-C1'-N19 111.34 4.425 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 14' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.532 2.682 0 O4'-C1'-N19 110.009 2.761 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' B' B ' 15' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.411 -3.142 0 O4'-C1'-N19 109.739 2.424 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' C' C ' 1' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.415 -2.8 1 O4'-C1'-N19 112.064 5.331 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' C' C ' 2' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.532 2.597 0 O4'-C1'-C2' 102.951 -2.862 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' C' C ' 3' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.416 -2.701 2 O4'-C1'-N19 115.323 9.403 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' C' C ' 4' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.534 2.885 0 O4'-C4'-C3' 108.003 2.403 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' C' C ' 5' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.41 -3.292 0 O4'-C1'-N19 110.596 3.495 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' C' C ' 6' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.417 -2.631 2 O4'-C1'-N19 111.729 4.912 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' C' C ' 7' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.42 -2.347 0 O4'-C1'-N19 110.31 3.138 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' C' C ' 8' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.405 -3.768 2 C4'-C3'-C2' 97.666 -5.534 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' C' C ' 9' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.409 -3.378 0 O4'-C1'-N19 105.483 -2.896 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' C' C ' 10' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.417 -2.682 1 O4'-C1'-N19 111.64 4.8 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' C' C ' 11' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.415 -2.8 0 O4'-C1'-N19 109.906 2.632 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' C' C ' 12' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.531 2.549 0 O4'-C1'-N19 110.542 3.427 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' C' C ' 13' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.534 2.921 0 O4'-C4'-C3' 108.092 2.492 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' C' C ' 14' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.41 -3.301 0 C1'-O4'-C4' 105.448 -3.037 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' C' C ' 15' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.532 2.577 1 O4'-C1'-N19 111.915 5.144 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 27.2 ptt? . . . . . 0 N--CA 1.45 -0.429 0 N-CA-C 108.906 -0.775 . . . . 0.0 108.906 . . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' 2' ' ' HIS . . . . . . . . . . . . . 8.2 m-70 -65.33 102.02 0.63 Allowed 'General case' 0 CA--C 1.53 0.174 0 N-CA-C 109.1 -0.704 . . . . 0.0 109.1 173.665 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . 24.4 mt -79.02 125.45 38.4 Favored 'Isoleucine or valine' 0 N--CA 1.449 -0.493 0 N-CA-C 106.828 -1.545 . . . . 0.0 106.828 173.851 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -62.25 119.97 10.05 Favored 'General case' 0 N--CA 1.447 -0.587 0 N-CA-C 108.504 -0.924 . . . . 0.0 108.504 173.713 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 5.2 mptp? -56.82 156.19 13.32 Favored Pre-proline 0 CA--C 1.536 0.411 0 C-N-CA 123.959 0.904 . . . . 0.0 109.416 178.317 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 61.7 Cg_endo -65.65 91.95 0.24 Allowed 'Trans proline' 0 N--CA 1.45 -1.073 0 C-N-CA 122.024 1.816 . . . . 0.0 109.332 171.404 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 9.4 mp -39.29 123.5 1.41 Allowed 'General case' 0 CA--C 1.527 0.087 0 C-N-CA 125.784 1.634 . . . . 0.0 112.578 177.832 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 5.5 p30 -75.82 176.77 7.47 Favored 'General case' 0 N--CA 1.446 -0.659 0 CA-C-O 122.284 1.04 . . . . 0.0 111.521 175.639 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -38.79 -62.33 0.63 Allowed 'General case' 0 N--CA 1.448 -0.564 0 C-N-CA 127.028 2.131 . . . . 0.0 113.986 -179.565 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 10' ' ' PHE . . . . . . . . . . . . . 5.4 m-85 -69.22 -25.41 64.29 Favored 'General case' 0 N--CA 1.455 -0.195 0 O-C-N 121.337 -0.852 . . . . 0.0 111.567 -169.278 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 11' ' ' MET . . . . . . . . . . . . . 60.6 mmm -65.83 -36.52 83.7 Favored 'General case' 0 CA--C 1.532 0.268 0 N-CA-C 109.134 -0.691 . . . . 0.0 109.134 177.612 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 57.4 mt -72.48 -43.77 63.23 Favored 'General case' 0 CA--C 1.521 -0.158 0 O-C-N 121.851 -0.531 . . . . 0.0 109.902 174.523 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 19.4 t80 -53.94 -47.28 71.43 Favored 'General case' 0 C--N 1.34 0.195 0 N-CA-C 109.3 -0.63 . . . . 0.0 109.3 178.861 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 14' ' ' MET . . . . . . . . . . . . . 16.1 ttm -54.13 -63.02 1.28 Allowed 'General case' 0 N--CA 1.444 -0.726 0 C-N-CA 124.124 0.97 . . . . 0.0 110.313 170.041 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 15.7 mmtt -43.93 -43.64 6.61 Favored 'General case' 0 CA--C 1.537 0.469 0 CA-C-N 120.2 1.364 . . . . 0.0 112.453 -178.029 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 45.7 mt-10 -71.31 -64.57 0.89 Allowed 'General case' 0 CA--C 1.538 0.505 0 C-N-CA 123.074 0.549 . . . . 0.0 112.106 178.496 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 17' ' ' MET . . . . . . . . . . . . . 4.1 mtp -79.87 -31.84 40.4 Favored 'General case' 0 C--O 1.224 -0.279 0 N-CA-C 114.074 1.138 . . . . 0.0 114.074 -169.057 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 7.4 tmm_? -56.63 -44.36 81.15 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 121.445 -0.784 . . . . 0.0 111.704 -170.051 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -53.53 -46.67 70.22 Favored 'General case' 0 CA--C 1.532 0.26 0 O-C-N 121.819 -0.551 . . . . 0.0 110.395 172.887 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 20' ' ' ASN . . . . . . . . . . . . . 47.8 t30 -59.15 -53.74 54.88 Favored 'General case' 0 C--O 1.221 -0.416 0 N-CA-C 109.235 -0.654 . . . . 0.0 109.235 176.961 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 71.9 t -47.22 -51.41 6.06 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.315 0 CA-C-N 118.898 0.772 . . . . 0.0 111.242 175.907 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 42.3 t -61.81 -36.23 72.49 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.37 0 C-N-CA 122.441 0.296 . . . . 0.0 110.342 -177.651 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -68.29 -42.81 78.94 Favored 'General case' 0 CA--C 1.54 0.574 0 O-C-N 121.885 -0.509 . . . . 0.0 112.154 173.315 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 47.5 mt-10 -67.51 -55.21 14.42 Favored 'General case' 0 CA--C 1.531 0.216 0 C-N-CA 124.546 1.139 . . . . 0.0 111.175 -176.769 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 56.0 p -89.53 175.99 7.07 Favored 'General case' 0 N--CA 1.45 -0.46 0 C-N-CA 125.013 1.325 . . . . 0.0 110.795 -169.406 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 4.4 p -81.22 -15.47 55.55 Favored 'General case' 0 N--CA 1.448 -0.542 0 C-N-CA 123.727 0.811 . . . . 0.0 111.141 169.973 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -83.17 162.57 21.22 Favored 'General case' 0 N--CA 1.447 -0.582 0 CA-C-O 122.418 1.104 . . . . 0.0 113.308 -169.643 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 1.2 mptp? -145.27 -44.11 0.22 Allowed 'General case' 0 N--CA 1.45 -0.458 0 CA-C-N 113.193 -1.821 . . . . 0.0 109.528 176.209 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 44.9 mt-10 -39.88 105.11 0.04 OUTLIER 'General case' 0 C--N 1.343 0.295 0 C-N-CA 125.733 1.613 . . . . 0.0 109.738 -176.181 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 22.4 t -51.55 -47.55 63.38 Favored 'General case' 0 C--O 1.22 -0.458 0 O-C-N 123.67 0.607 . . . . 0.0 110.655 -169.076 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -54.21 -37.78 64.94 Favored 'General case' 0 CA--C 1.535 0.38 0 N-CA-C 113.452 0.908 . . . . 0.0 113.452 -179.961 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -75.74 -51.35 12.87 Favored 'General case' 0 CA--C 1.531 0.237 0 CA-C-N 119.052 0.842 . . . . 0.0 109.707 176.553 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 33' ' ' ILE . . . . . . . . . . . . . 6.5 mm -50.81 -34.93 13.6 Favored 'Isoleucine or valine' 0 CA--C 1.545 0.75 0 C-N-CA 125.251 1.42 . . . . 0.0 111.91 178.024 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 84.0 m-20 -73.85 -31.86 63.39 Favored 'General case' 0 C--N 1.331 -0.221 0 C-N-CA 124.769 1.227 . . . . 0.0 110.659 179.728 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 43.8 mt-30 -70.75 -39.28 73.38 Favored 'General case' 0 CA--C 1.533 0.315 0 O-C-N 121.865 -0.522 . . . . 0.0 109.751 170.564 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 6.3 mt -51.51 -53.65 15.28 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.381 0 N-CA-C 108.765 -0.828 . . . . 0.0 108.765 169.507 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 10.1 mt -58.53 -41.54 85.76 Favored 'General case' 0 CA--C 1.534 0.34 0 O-C-N 121.8 -0.563 . . . . 0.0 111.413 178.528 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -48.46 -52.27 19.62 Favored Glycine 0 CA--C 1.529 0.914 0 C-N-CA 123.786 0.707 . . . . 0.0 111.435 171.492 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -58.33 -54.8 42.87 Favored 'General case' 0 N--CA 1.447 -0.583 0 O-C-N 121.568 -0.96 . . . . 0.0 110.14 173.315 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 79.9 mtt180 -60.83 -23.91 65.46 Favored 'General case' 0 C--O 1.232 0.138 0 O-C-N 122.026 -0.421 . . . . 0.0 111.73 -169.957 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 41' ' ' TRP . . . . . . . . . . . . . 65.1 t-105 -48.28 -41.93 29.35 Favored 'General case' 0 N--CA 1.451 -0.416 0 CA-C-N 118.569 0.622 . . . . 0.0 111.288 171.297 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 42' ' ' HIS . . . . . . . . . . . . . 71.6 m80 -61.09 -19.96 62.06 Favored 'General case' 0 CA--C 1.532 0.267 0 C-N-CA 123.846 0.858 . . . . 0.0 112.34 -175.465 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -78.99 -20.04 50.1 Favored 'General case' 0 CA--C 1.534 0.36 0 C-N-CA 122.55 0.34 . . . . 0.0 111.585 176.67 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 28.1 mt -66.77 125.73 26.79 Favored 'General case' 0 C--O 1.235 0.309 0 CA-C-N 118.885 0.766 . . . . 0.0 110.498 -179.597 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 86.1 p -59.03 154.8 14.82 Favored 'General case' 0 CA--C 1.531 0.235 0 N-CA-C 108.103 -1.073 . . . . 0.0 108.103 168.809 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -54.4 -33.12 58.71 Favored 'General case' 0 CA--C 1.537 0.445 0 O-C-N 121.816 -0.553 . . . . 0.0 110.994 -177.611 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 2.4 mp0 -63.56 -52.53 60.64 Favored 'General case' 0 CA--C 1.532 0.267 0 C-N-CA 123.883 0.873 . . . . 0.0 110.934 174.26 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 37.2 mt-10 -56.4 -42.87 78.68 Favored 'General case' 0 C--O 1.224 -0.244 0 N-CA-C 110.275 -0.268 . . . . 0.0 110.275 176.063 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 74.9 mt-30 -55.24 -59.88 4.17 Favored 'General case' 0 N--CA 1.454 -0.233 0 N-CA-C 109.19 -0.671 . . . . 0.0 109.19 174.158 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -47.36 -43.19 22.96 Favored 'General case' 0 CA--C 1.533 0.307 0 C-N-CA 123.96 0.904 . . . . 0.0 112.21 -178.865 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 10.0 pttt -46.56 -41.88 15.04 Favored 'General case' 0 CA--C 1.534 0.355 0 C-N-CA 122.744 0.418 . . . . 0.0 111.554 176.948 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 52' ' ' TYR . . . . . . . . . . . . . 44.6 m-85 -63.74 -34.02 76.96 Favored 'General case' 0 CA--C 1.517 -0.327 0 N-CA-C 112.911 0.708 . . . . 0.0 112.911 -179.127 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 53' ' ' TYR . . . . . . . . . . . . . 29.8 m-85 -72.25 -42.86 65.17 Favored 'General case' 0 N--CA 1.449 -0.482 0 N-CA-C 107.073 -1.454 . . . . 0.0 107.073 -176.475 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 42.2 mt-10 -53.79 -61.33 2.37 Favored 'General case' 0 CA--C 1.534 0.352 0 CA-C-N 116.372 -0.376 . . . . 0.0 110.009 169.91 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 5.2 mp -45.99 -54.19 8.78 Favored 'General case' 0 C--O 1.225 -0.22 0 C-N-CA 124.263 1.025 . . . . 0.0 112.891 176.542 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -49.29 -46.63 46.74 Favored 'General case' 0 CA--C 1.534 0.331 0 CA-C-O 121.12 0.486 . . . . 0.0 109.774 179.039 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 15.7 mtt-85 -71.58 -35.21 70.47 Favored 'General case' 0 CA--C 1.535 0.401 0 CA-C-O 118.996 -0.525 . . . . 0.0 112.312 179.661 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 68.3 mmtt -58.95 -49.44 77.83 Favored 'General case' 0 CA--C 1.531 0.231 0 CA-C-N 120.013 1.278 . . . . 0.0 110.398 171.043 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -56.63 -45.5 81.51 Favored 'General case' 0 CA--C 1.531 0.241 0 C-N-CA 123.571 0.748 . . . . 0.0 109.549 176.118 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 60' ' ' ARG . . . . . . . . . . . . . 44.1 ttt-85 -55.26 -52.53 63.11 Favored 'General case' 0 CA--C 1.538 0.487 0 C-N-CA 123.129 0.571 . . . . 0.0 111.428 174.343 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 61' ' ' GLN . . . . . . . . . . . . . 57.3 mt-30 -57.15 -50.71 71.98 Favored 'General case' 0 CA--C 1.53 0.19 0 C-N-CA 123.799 0.839 . . . . 0.0 109.998 -179.215 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 46.3 tp -53.19 -52.83 57.58 Favored 'General case' 0 N--CA 1.456 -0.135 0 N-CA-C 109.508 -0.553 . . . . 0.0 109.508 174.389 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 63' ' ' HIS . . . . . . . . . . . . . 16.6 t-80 -51.52 -42.25 61.61 Favored 'General case' 0 N--CA 1.454 -0.262 0 C-N-CA 124.875 1.27 . . . . 0.0 111.763 -178.369 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 64' ' ' MET . . . . . . . . . . . . . 86.8 mtp -57.74 -33.98 69.04 Favored 'General case' 0 CA--C 1.535 0.389 0 CA-C-N 118.588 0.631 . . . . 0.0 111.852 175.664 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 65' ' ' GLN . . . . . . . . . . . . . 22.4 mt-30 -78.79 -42.86 26.8 Favored 'General case' 0 CA--C 1.529 0.166 0 N-CA-C 109.075 -0.713 . . . . 0.0 109.075 179.425 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 24.0 mt -53.97 -39.87 66.36 Favored 'General case' 0 CA--C 1.532 0.27 0 C-N-CA 122.492 0.317 . . . . 0.0 110.346 173.797 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 67' ' ' TYR . . . . . . . . . . . . . 99.2 m-85 -138.39 88.31 14.86 Favored Pre-proline 0 N--CA 1.452 -0.33 0 C-N-CA 124.053 0.941 . . . . 0.0 111.357 -173.773 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 68' ' ' PRO . . . . . . . . . . . . . 48.2 Cg_exo -56.18 -58.14 1.17 Allowed 'Trans proline' 0 N--CA 1.453 -0.876 0 C-N-CA 122.607 2.205 . . . . 0.0 109.131 169.465 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . -79.41 50.55 3.79 Favored Glycine 0 C--N 1.339 0.707 0 N-CA-C 110.956 -0.857 . . . . 0.0 110.956 169.916 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 70' ' ' TRP . . . . . . . . . . . . . 1.8 t90 -61.78 115.37 3.94 Favored 'General case' 0 N--CA 1.446 -0.628 0 N-CA-C 105.66 -1.978 . . . . 0.0 105.66 168.653 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 20.0 m -123.01 54.85 1.22 Allowed 'General case' 0 CA--C 1.54 0.578 0 C-N-CA 123.453 0.701 . . . . 0.0 111.677 -170.351 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -39.96 -42.62 1.39 Allowed 'General case' 0 N--CA 1.48 1.029 0 C-N-CA 124.34 1.056 . . . . 0.0 113.183 -178.568 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 73' ' ' ARG . . . . . 0.537 ' CD ' ' H ' ' A' ' 73' ' ' ARG . 0.0 OUTLIER -58.34 -28.71 65.33 Favored 'General case' 0 N--CA 1.436 -1.125 0 CA-C-N 113.948 -1.478 . . . . 0.0 110.718 -169.921 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 74' ' ' ASP . . . . . . . . . . . . . 9.3 t70 -62.79 -43.2 99.43 Favored 'General case' 0 CA--C 1.53 0.209 0 O-C-N 122.108 -0.37 . . . . 0.0 111.009 170.951 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 75' ' ' ASN . . . . . . . . . . . . . 7.0 m120 -82.12 -36.19 27.77 Favored 'General case' 0 C--N 1.332 -0.188 0 C-N-CA 124.532 1.133 . . . . 0.0 111.042 -169.772 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 76' ' ' TYR . . . . . . . . . . . . . 83.6 t80 -51.34 131.58 28.59 Favored 'General case' 0 N--CA 1.451 -0.401 0 C-N-CA 122.555 0.342 . . . . 0.0 110.622 -178.692 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 83.03 -16.59 27.05 Favored Glycine 0 CA--C 1.533 1.194 0 CA-C-O 118.3 -1.278 . . . . 0.0 114.09 -178.627 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 46.8 mmtm -78.17 -12.08 59.97 Favored 'General case' 0 CA--C 1.533 0.293 0 CA-C-N 120.285 2.042 . . . . 0.0 114.978 -169.591 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 42.1 mtmt -67.72 142.41 56.31 Favored 'General case' 0 CA--C 1.534 0.358 0 N-CA-C 106.707 -1.59 . . . . 0.0 106.707 168.85 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 67.8 mttm -79.19 60.03 2.93 Favored 'General case' 0 CA--C 1.535 0.37 0 CA-C-O 121.554 0.692 . . . . 0.0 109.944 -178.585 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 85.8 tttt -61.93 103.55 0.37 Allowed 'General case' 0 N--CA 1.45 -0.44 0 C-N-CA 125.473 1.509 . . . . 0.0 111.204 -169.626 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 82' ' ' ARG . . . . . . . . . . . . . 54.6 mtt85 -58.66 -33.77 70.47 Favored 'General case' 0 CA--C 1.535 0.372 0 O-C-N 121.728 -0.607 . . . . 0.0 111.879 179.589 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . 94.9 mttt -55.49 -28.22 53.24 Favored 'General case' 0 CA--C 1.54 0.577 0 O-C-N 121.975 -0.453 . . . . 0.0 111.999 173.329 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 84' ' ' ARG . . . . . . . . . . . . . 47.5 ttp180 -87.13 -58.72 2.48 Favored 'General case' 0 CA--C 1.531 0.247 0 N-CA-C 108.238 -1.023 . . . . 0.0 108.238 170.033 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 78.0 mt-10 -76.03 59.27 1.28 Allowed 'General case' 0 CA--C 1.534 0.346 0 C-N-CA 125.609 1.564 . . . . 0.0 110.768 -175.194 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 35.1 mtmm . . . . . 0 N--CA 1.454 -0.258 0 C-N-CA 123.445 0.698 . . . . 0.0 109.602 -179.116 . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' B' B ' 1' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.531 2.443 1 O4'-C1'-N19 111.731 4.914 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 2' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.533 2.786 0 P-O3'-C3' 123.495 3.162 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' B' B ' 3' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.415 -2.815 0 C4'-C3'-C2' 100.15 -3.05 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' B' B ' 4' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.415 -2.78 0 P-O3'-C3' 123.139 2.866 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' B' B ' 5' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.41 -3.235 0 C4'-C3'-C2' 99.897 -3.303 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' B' B ' 6' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.414 -2.868 0 O4'-C1'-N19 109.276 1.845 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' B' B ' 7' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.417 -2.652 0 C4'-C3'-C2' 100.112 -3.088 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' B' B ' 8' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.407 -3.547 0 O4'-C4'-C3' 108.731 3.131 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' B' B ' 9' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.53 2.338 0 O4'-C1'-N19 110.325 3.156 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' B' B ' 10' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.535 2.998 0 P-O3'-C3' 123.263 2.969 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' B' B ' 11' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.42 -2.35 2 O4'-C1'-N19 113.194 6.742 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 12' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.413 -2.996 1 O4'-C4'-C3' 110.395 4.795 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 13' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.412 -3.097 0 O4'-C1'-N19 110.837 3.796 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' B' B ' 14' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.416 -2.739 0 O4'-C1'-N19 110.226 3.032 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' B' B ' 15' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.41 -3.233 0 O4'-C1'-N19 109.851 2.564 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' C' C ' 1' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.415 -2.791 1 O4'-C1'-N19 112.166 5.458 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' C' C ' 2' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.532 2.587 0 O4'-C1'-N19 110.171 2.964 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' C' C ' 3' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.414 -2.902 2 O4'-C1'-N19 114.583 8.479 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' C' C ' 4' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.533 2.719 0 O4'-C1'-N19 109.87 2.588 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' C' C ' 5' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.412 -3.072 0 O4'-C1'-C2' 103.222 -2.616 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' C' C ' 6' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.415 -2.857 0 O4'-C1'-C2' 102.271 -3.481 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' C' C ' 7' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.412 -3.121 0 O4'-C4'-C3' 108.932 3.332 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' C' C ' 8' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.408 -3.433 2 C4'-C3'-C2' 98.975 -4.225 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' C' C ' 9' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.411 -3.204 0 P-O3'-C3' 122.171 2.059 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' C' C ' 10' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.412 -3.13 0 O4'-C1'-N19 110.354 3.193 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' C' C ' 11' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.417 -2.627 0 O4'-C1'-N19 110.193 2.992 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' C' C ' 12' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.535 3.053 0 O4'-C1'-N19 110.235 3.044 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' C' C ' 13' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.414 -2.939 1 O4'-C1'-N19 111.139 4.174 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' C' C ' 14' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.414 -2.931 0 O4'-C1'-N19 110.205 3.006 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' C' C ' 15' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.535 2.955 0 O4'-C1'-N19 110.274 3.092 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 2.3 mpt? . . . . . 0 N--CA 1.449 -0.517 0 N-CA-C 107.967 -1.123 . . . . 0.0 107.967 . . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' A' A ' 2' ' ' HIS . . . . . . . . . . . . . 4.1 m-70 -79.04 89.62 4.79 Favored 'General case' 0 N--CA 1.456 -0.164 0 N-CA-C 106.75 -1.574 . . . . 0.0 106.75 169.192 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . 10.2 mt -78.66 118.15 25.41 Favored 'Isoleucine or valine' 0 N--CA 1.446 -0.653 0 N-CA-C 107.974 -1.121 . . . . 0.0 107.974 -174.585 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -62.22 124.92 22.17 Favored 'General case' 0 N--CA 1.446 -0.649 0 N-CA-C 108.605 -0.887 . . . . 0.0 108.605 170.468 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 4.7 mptp? -61.24 157.98 40.03 Favored Pre-proline 0 CA--C 1.535 0.4 0 C-N-CA 123.735 0.814 . . . . 0.0 109.145 178.057 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 61.5 Cg_endo -65.82 91.83 0.25 Allowed 'Trans proline' 0 N--CA 1.45 -1.035 0 C-N-CA 121.826 1.684 . . . . 0.0 109.08 171.009 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 9.6 mp -39.25 118.26 0.78 Allowed 'General case' 0 C--N 1.338 0.108 0 C-N-CA 125.334 1.454 . . . . 0.0 112.128 176.678 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 4.6 p30 -71.51 177.79 3.84 Favored 'General case' 0 N--CA 1.443 -0.794 0 CA-C-O 122.453 1.12 . . . . 0.0 111.691 177.298 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -38.53 -62.91 0.55 Allowed 'General case' 0 N--CA 1.445 -0.681 0 C-N-CA 126.784 2.034 . . . . 0.0 113.567 -179.624 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 10' ' ' PHE . . . . . . . . . . . . . 5.6 m-85 -70.85 -27.07 63.57 Favored 'General case' 0 N--CA 1.452 -0.345 0 O-C-N 121.599 -0.688 . . . . 0.0 110.952 -170.219 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 11' ' ' MET . . . . . . . . . . . . . 69.7 mmm -66.24 -44.67 83.1 Favored 'General case' 0 N--CA 1.452 -0.343 0 N-CA-C 108.643 -0.873 . . . . 0.0 108.643 177.816 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 64.2 mt -61.96 -45.15 94.93 Favored 'General case' 0 C--N 1.334 -0.083 0 O-C-N 121.794 -0.566 . . . . 0.0 110.126 174.177 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 12.8 t80 -54.23 -44.95 72.17 Favored 'General case' 0 CA--C 1.53 0.201 0 C-N-CA 120.512 -0.475 . . . . 0.0 109.921 178.64 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 14' ' ' MET . . . . . . . . . . . . . 24.5 ttm -54.87 -60.38 3.44 Favored 'General case' 0 N--CA 1.451 -0.39 0 C-N-CA 123.318 0.647 . . . . 0.0 110.288 171.469 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 4.9 mtpm? -48.96 -43.94 40.31 Favored 'General case' 0 CA--C 1.534 0.345 0 CA-C-N 119.183 0.901 . . . . 0.0 111.701 -176.715 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 48.2 mt-10 -68.4 -63.62 1.02 Allowed 'General case' 0 CA--C 1.536 0.409 0 C-N-CA 123.017 0.527 . . . . 0.0 111.811 179.498 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 17' ' ' MET . . . . . . . . . . . . . 8.9 mtp -83.29 -28.44 29.11 Favored 'General case' 0 C--O 1.226 -0.132 0 N-CA-C 114.584 1.327 . . . . 0.0 114.584 -169.072 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 7.1 tmm_? -57.71 -41.96 82.82 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 118.978 0.808 . . . . 0.0 111.747 -169.944 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -54.71 -47.82 73.24 Favored 'General case' 0 CA--C 1.533 0.296 0 O-C-N 122.054 -0.403 . . . . 0.0 110.557 172.505 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 20' ' ' ASN . . . . . . . . . . . . . 1.7 t30 -58.21 -50.47 73.43 Favored 'General case' 0 C--O 1.222 -0.358 0 N-CA-C 109.505 -0.554 . . . . 0.0 109.505 175.655 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 74.3 t -51.67 -52.81 19.55 Favored 'Isoleucine or valine' 0 C--N 1.334 -0.101 0 CA-C-N 119.04 0.837 . . . . 0.0 110.572 178.975 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 55.2 t -58.77 -36.75 62.32 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.473 0 C-N-CA 122.883 0.473 . . . . 0.0 110.501 -178.882 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -67.32 -47.56 70.16 Favored 'General case' 0 CA--C 1.539 0.546 0 N-CA-C 112.524 0.565 . . . . 0.0 112.524 173.278 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 32.6 mt-10 -68.71 -52.32 32.02 Favored 'General case' 0 CA--C 1.53 0.194 0 C-N-CA 123.396 0.679 . . . . 0.0 111.397 -174.887 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 55.9 p -89.49 177.05 6.66 Favored 'General case' 0 N--CA 1.451 -0.418 0 C-N-CA 124.086 0.954 . . . . 0.0 110.974 -169.594 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 3.7 p -81.4 -12.24 59.02 Favored 'General case' 0 N--CA 1.445 -0.682 0 C-N-CA 123.754 0.822 . . . . 0.0 110.989 169.731 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 4.1 mm? -82.75 153.23 25.38 Favored 'General case' 0 N--CA 1.447 -0.597 0 CA-C-N 119.247 0.93 . . . . 0.0 113.171 -169.857 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 2.0 mptp? -139.79 -32.22 0.64 Allowed 'General case' 0 CA--C 1.532 0.262 0 CA-C-N 113.67 -1.604 . . . . 0.0 110.711 168.086 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 2.8 mp0 -52.67 112.14 0.78 Allowed 'General case' 0 N--CA 1.451 -0.413 0 C-N-CA 125.259 1.424 . . . . 0.0 107.946 -173.687 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 9.4 t -56.81 -34.54 67.79 Favored 'General case' 0 N--CA 1.445 -0.72 0 N-CA-C 113.498 0.925 . . . . 0.0 113.498 -168.075 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -65.39 -39.63 92.48 Favored 'General case' 0 CA--C 1.534 0.331 0 CA-C-N 120.143 1.338 . . . . 0.0 112.551 177.446 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -69.06 -48.16 63.47 Favored 'General case' 0 C--N 1.335 -0.047 0 O-C-N 121.399 -0.813 . . . . 0.0 108.91 176.221 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 33' ' ' ILE . . . . . . . . . . . . . 8.1 mm -56.65 -41.17 73.43 Favored 'Isoleucine or valine' 0 CA--C 1.542 0.654 0 C-N-CA 124.091 0.956 . . . . 0.0 111.236 178.881 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 3.2 m-80 -56.02 -48.03 76.71 Favored 'General case' 0 N--CA 1.463 0.199 0 O-C-N 120.825 -1.172 . . . . 0.0 111.137 172.22 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 36.8 mt-30 -62.87 -36.6 83.82 Favored 'General case' 0 CA--C 1.533 0.311 0 C-N-CA 120.235 -0.586 . . . . 0.0 110.743 176.133 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 42.0 mt -56.29 -50.36 71.93 Favored 'Isoleucine or valine' 0 CA--C 1.537 0.449 0 CA-C-N 118.714 0.688 . . . . 0.0 110.542 170.641 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 4.1 mm? -53.07 -47.03 68.81 Favored 'General case' 0 CA--C 1.537 0.464 0 CA-C-N 120.068 1.304 . . . . 0.0 110.105 172.715 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -49.54 -51.07 28.77 Favored Glycine 0 CA--C 1.532 1.137 0 C-N-CA 123.938 0.78 . . . . 0.0 112.055 176.148 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 1.6 tmt_? -56.43 -62.77 1.49 Allowed 'General case' 0 N--CA 1.449 -0.481 0 O-C-N 121.836 -0.802 . . . . 0.0 109.168 173.34 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 57.3 mtt180 -56.85 -24.28 50.22 Favored 'General case' 0 N--CA 1.456 -0.141 0 C-N-CA 123.766 0.827 . . . . 0.0 112.283 -171.737 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 41' ' ' TRP . . . . . . . . . . . . . 64.1 t-105 -49.49 -40.45 37.41 Favored 'General case' 0 N--CA 1.454 -0.264 0 CA-C-N 118.845 0.748 . . . . 0.0 111.174 172.865 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 42' ' ' HIS . . . . . . . . . . . . . 71.0 m80 -60.7 -19.63 59.1 Favored 'General case' 0 N--CA 1.453 -0.284 0 C-N-CA 123.702 0.801 . . . . 0.0 112.587 -176.974 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -79.25 -18.41 52.85 Favored 'General case' 0 CA--C 1.534 0.362 0 CA-C-N 118.072 0.396 . . . . 0.0 111.5 177.182 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 31.0 mt -70.54 124.82 25.15 Favored 'General case' 0 N--CA 1.453 -0.294 0 CA-C-N 118.662 0.664 . . . . 0.0 110.362 -179.628 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 78.6 p -56.96 160.86 3.29 Favored 'General case' 0 CA--C 1.531 0.237 0 N-CA-C 109.53 -0.544 . . . . 0.0 109.53 169.139 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 61.9 ttp85 -45.68 -44.87 13.82 Favored 'General case' 0 CA--C 1.536 0.425 0 C-N-CA 123.147 0.579 . . . . 0.0 110.773 173.883 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 58.4 mp0 -65.46 -50.82 63.94 Favored 'General case' 0 N--CA 1.45 -0.442 0 C-N-CA 123.766 0.827 . . . . 0.0 111.126 179.989 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 33.0 mt-10 -55.97 -43.17 77.31 Favored 'General case' 0 CA--C 1.529 0.149 0 C-N-CA 120.889 -0.324 . . . . 0.0 110.801 176.715 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 75.1 mt-30 -56.77 -59.79 4.5 Favored 'General case' 0 N--CA 1.454 -0.225 0 N-CA-C 108.917 -0.771 . . . . 0.0 108.917 174.17 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -47.65 -42.93 25.65 Favored 'General case' 0 CA--C 1.531 0.227 0 C-N-CA 123.754 0.821 . . . . 0.0 112.042 -178.149 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 9.8 pttt -45.77 -43.06 12.78 Favored 'General case' 0 CA--C 1.533 0.316 0 C-N-CA 123.03 0.532 . . . . 0.0 111.241 177.158 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 52' ' ' TYR . . . . . . . . . . . . . 40.9 m-85 -62.31 -35.02 77.76 Favored 'General case' 0 N--CA 1.454 -0.272 0 N-CA-C 112.801 0.667 . . . . 0.0 112.801 -178.348 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 53' ' ' TYR . . . . . . . . . . . . . 30.6 m-85 -70.74 -36.95 73.4 Favored 'General case' 0 N--CA 1.451 -0.399 0 N-CA-C 107.77 -1.196 . . . . 0.0 107.77 -176.002 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 33.5 mm-40 -62.44 -59.08 5.48 Favored 'General case' 0 CA--C 1.533 0.314 0 N-CA-C 109.903 -0.406 . . . . 0.0 109.903 169.71 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 6.4 mp -45.16 -50.14 11.57 Favored 'General case' 0 C--O 1.226 -0.182 0 C-N-CA 124.095 0.958 . . . . 0.0 113.251 177.017 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -50.31 -44.85 54.27 Favored 'General case' 0 CA--C 1.536 0.429 0 CA-C-O 121.24 0.543 . . . . 0.0 110.017 176.752 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 45.6 mtt85 -71.79 -36.22 70.25 Favored 'General case' 0 CA--C 1.532 0.253 0 C-N-CA 122.787 0.435 . . . . 0.0 111.412 178.668 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 31.9 mmtp -58.57 -47.66 83.5 Favored 'General case' 0 CA--C 1.533 0.316 0 CA-C-N 119.658 1.117 . . . . 0.0 110.245 172.548 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 33.6 mm-40 -56.25 -47.81 77.78 Favored 'General case' 0 CA--C 1.53 0.176 0 C-N-CA 123.107 0.563 . . . . 0.0 109.961 173.743 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 60' ' ' ARG . . . . . . . . . . . . . 44.8 ttt-85 -52.36 -54.11 35.99 Favored 'General case' 0 CA--C 1.538 0.481 0 C-N-CA 123.031 0.532 . . . . 0.0 111.242 175.825 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 61' ' ' GLN . . . . . . . . . . . . . 32.9 mt-30 -58.18 -50.75 72.43 Favored 'General case' 0 CA--C 1.529 0.167 0 C-N-CA 124.09 0.956 . . . . 0.0 110.135 -179.589 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 46.7 tp -50.27 -50.15 51.09 Favored 'General case' 0 CA--C 1.528 0.128 0 N-CA-C 109.316 -0.624 . . . . 0.0 109.316 174.568 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 63' ' ' HIS . . . . . . . . . . . . . 4.2 t-80 -52.91 -39.47 62.78 Favored 'General case' 0 N--CA 1.453 -0.323 0 C-N-CA 124.543 1.137 . . . . 0.0 111.988 -178.838 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 64' ' ' MET . . . . . . . . . . . . . 74.5 mmm -58.05 -35.73 71.75 Favored 'General case' 0 CA--C 1.531 0.241 0 CA-C-N 118.091 0.405 . . . . 0.0 111.064 176.09 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 65' ' ' GLN . . . . . . . . . . . . . 18.7 mt-30 -79.06 -45.17 20.67 Favored 'General case' 0 N--CA 1.455 -0.194 0 N-CA-C 108.993 -0.743 . . . . 0.0 108.993 -179.183 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 25.5 mt -52.7 -46.23 67.22 Favored 'General case' 0 CA--C 1.531 0.243 0 C-N-CA 122.62 0.368 . . . . 0.0 110.179 176.255 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 67' ' ' TYR . . . . . . . . . . . . . 95.0 m-85 -136.64 96.86 11.76 Favored Pre-proline 0 N--CA 1.452 -0.366 0 C-N-CA 123.84 0.856 . . . . 0.0 110.326 -176.157 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 68' ' ' PRO . . . . . . . . . . . . . 50.6 Cg_exo -54.46 -56.55 2.39 Favored 'Trans proline' 0 N--CA 1.453 -0.874 0 C-N-CA 122.621 2.214 . . . . 0.0 108.376 169.134 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . -80.0 54.79 4.5 Favored Glycine 0 C--N 1.337 0.593 0 N-CA-C 110.315 -1.114 . . . . 0.0 110.315 169.571 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 70' ' ' TRP . . . . . . . . . . . . . 2.0 t90 -61.36 110.97 1.58 Allowed 'General case' 0 N--CA 1.449 -0.497 0 N-CA-C 105.87 -1.9 . . . . 0.0 105.87 168.893 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 24.1 m -119.92 56.19 0.96 Allowed 'General case' 0 CA--C 1.54 0.563 0 C-N-CA 123.909 0.884 . . . . 0.0 111.553 -170.775 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -39.61 -45.19 1.59 Allowed 'General case' 0 N--CA 1.479 1.023 0 C-N-CA 124.455 1.102 . . . . 0.0 112.951 -176.02 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 73' ' ' ARG . . . . . 0.562 ' CD ' ' H ' ' A' ' 73' ' ' ARG . 0.0 OUTLIER -53.89 -39.3 65.62 Favored 'General case' 0 N--CA 1.437 -1.105 0 C-N-CA 126.582 1.953 . . . . 0.0 109.79 -169.788 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 74' ' ' ASP . . . . . . . . . . . . . 27.3 t70 -53.13 -31.05 40.28 Favored 'General case' 0 CA--C 1.531 0.235 0 C-N-CA 123.599 0.76 . . . . 0.0 112.017 176.655 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 75' ' ' ASN . . . . . . . . . . . . . 9.4 m120 -100.74 3.11 41.97 Favored 'General case' 0 N--CA 1.455 -0.194 0 C-N-CA 124.207 1.003 . . . . 0.0 111.951 -174.608 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 76' ' ' TYR . . . . . . . . . . . . . 66.7 t80 -78.55 67.15 4.25 Favored 'General case' 0 CA--C 1.533 0.318 0 CA-C-N 119.35 0.977 . . . . 0.0 109.907 -177.297 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 146.67 71.48 0.01 OUTLIER Glycine 0 CA--C 1.526 0.772 0 N-CA-C 109.251 -1.54 . . . . 0.0 109.251 -174.796 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 44.6 mmtm -137.11 -56.41 0.71 Allowed 'General case' 0 CA--C 1.53 0.183 0 C-N-CA 125.099 1.359 . . . . 0.0 109.933 179.58 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 72.1 mttt -75.84 137.97 40.81 Favored 'General case' 0 N--CA 1.454 -0.24 0 N-CA-C 108.233 -1.025 . . . . 0.0 108.233 173.142 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 60.5 mttp -76.17 150.33 37.16 Favored 'General case' 0 CA--C 1.532 0.271 0 N-CA-C 107.043 -1.466 . . . . 0.0 107.043 168.898 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 46.8 tttp -128.88 157.62 41.05 Favored 'General case' 0 CA--C 1.532 0.251 0 C-N-CA 124.328 1.051 . . . . 0.0 109.812 -169.923 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 82' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -127.44 -175.97 3.61 Favored 'General case' 0 CA--C 1.538 0.507 0 C-N-CA 128.525 2.73 . . . . 0.0 108.664 -177.116 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . 22.2 mttp 63.97 -65.07 0.13 Allowed 'General case' 0 CA--C 1.534 0.333 0 C-N-CA 127.068 2.147 . . . . 0.0 116.658 168.783 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 84' ' ' ARG . . . . . . . . . . . . . 7.6 mpt_? 56.23 -91.4 0.03 OUTLIER 'General case' 0 CA--C 1.533 0.301 0 C-N-CA 124.71 1.204 . . . . 0.0 109.925 -169.46 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 70.8 mt-10 -110.36 4.08 20.37 Favored 'General case' 0 C--N 1.338 0.098 0 C-N-CA 124.599 1.16 . . . . 0.0 113.216 -178.024 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 53.6 mtmt . . . . . 0 C--N 1.329 -0.293 0 N-CA-C 109.047 -0.723 . . . . 0.0 109.047 175.938 . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' B' B ' 1' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.53 2.426 2 O4'-C1'-N19 112.007 5.259 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 2' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.536 3.098 0 P-O3'-C3' 123.73 3.358 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' B' B ' 3' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.417 -2.612 0 P-O3'-C3' 122.851 2.626 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' B' B ' 4' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.412 -3.081 0 O4'-C4'-C3' 108.469 2.869 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' B' B ' 5' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.406 -3.66 0 P-O3'-C3' 122.878 2.649 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' B' B ' 6' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.405 -3.716 0 C4'-C3'-C2' 100.119 -3.081 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' B' B ' 7' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.418 -2.569 0 C4'-C3'-C2' 99.965 -3.235 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' B' B ' 8' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.409 -3.38 0 O4'-C4'-C3' 108.475 2.875 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' B' B ' 9' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.418 -2.504 0 P-O3'-C3' 123.208 2.923 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' B' B ' 10' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.536 3.108 0 P-O3'-C3' 122.702 2.502 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' B' B ' 11' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.42 -2.386 2 O4'-C1'-N19 112.928 6.41 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 12' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.408 -3.473 1 O4'-C4'-C3' 110.232 4.632 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 13' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.411 -3.179 1 O4'-C1'-N19 111.255 4.318 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 14' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.533 2.728 0 O4'-C1'-N19 110.595 3.494 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' B' B ' 15' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.412 -3.075 0 O4'-C1'-N19 110.128 2.91 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' C' C ' 1' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.416 -2.77 1 O4'-C1'-N19 112.379 5.724 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' C' C ' 2' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.418 -2.565 0 O4'-C1'-N19 110.522 3.403 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' C' C ' 3' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.415 -2.785 1 O4'-C1'-N19 114.518 8.398 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' C' C ' 4' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.535 2.945 0 O4'-C1'-N19 110.779 3.724 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' C' C ' 5' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.415 -2.793 0 P-O3'-C3' 122.932 2.693 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' C' C ' 6' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.416 -2.719 1 O4'-C1'-N19 111.298 4.372 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' C' C ' 7' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.416 -2.691 0 O4'-C4'-C3' 109.418 3.818 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' C' C ' 8' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.408 -3.461 1 C4'-C3'-C2' 98.881 -4.319 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' C' C ' 9' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.411 -3.157 0 C5'-C4'-C3' 110.994 -2.471 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' C' C ' 10' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.416 -2.699 1 O4'-C1'-N19 112.005 5.256 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' C' C ' 11' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.532 2.686 1 O4'-C1'-N19 111.714 4.893 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' C' C ' 12' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.529 2.292 0 O3'-P-O5' 98.472 -2.909 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' C' C ' 13' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.533 2.767 0 O4'-C4'-C3' 108.144 2.544 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' C' C ' 14' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.411 -3.21 0 O4'-C1'-N19 110.471 3.339 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' C' C ' 15' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.416 -2.743 1 O4'-C1'-N19 111.191 4.239 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 14.4 tpt . . . . . 0 N--CA 1.453 -0.315 0 N-CA-C 108.882 -0.784 . . . . 0.0 108.882 . . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' A' A ' 2' ' ' HIS . . . . . . . . . . . . . 91.4 m-70 -76.26 94.56 3.58 Favored 'General case' 0 N--CA 1.453 -0.323 0 CA-C-N 115.853 -0.612 . . . . 0.0 109.855 -178.876 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . 94.9 mt -78.95 88.69 1.24 Allowed 'Isoleucine or valine' 0 N--CA 1.455 -0.18 0 N-CA-C 104.661 -2.348 . . . . 0.0 104.661 169.242 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 4.7 mmmm -39.4 126.2 1.76 Allowed 'General case' 0 N--CA 1.447 -0.584 0 C-N-CA 128.31 2.644 . . . . 0.0 111.125 -174.008 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 5' ' ' LYS . . . . . 0.537 ' HE2' " C1'" ' C' ' 8' ' ' ' DA' . 0.0 OUTLIER -57.85 175.89 0.26 Allowed Pre-proline 0 CA--C 1.546 0.803 0 C-N-CA 126.265 1.826 . . . . 0.0 109.073 169.789 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 31.9 Cg_exo -69.7 111.39 2.78 Favored 'Trans proline' 0 CA--C 1.541 0.852 0 C-N-CA 121.553 1.502 . . . . 0.0 110.702 169.555 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 6.6 mt -56.66 117.49 3.95 Favored 'General case' 0 C--N 1.343 0.313 0 CA-C-N 119.174 0.897 . . . . 0.0 109.402 169.567 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 6.3 p30 -80.62 178.4 8.37 Favored 'General case' 0 N--CA 1.449 -0.515 0 CA-C-O 122.074 0.94 . . . . 0.0 111.958 179.073 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -38.88 -64.1 0.47 Allowed 'General case' 0 N--CA 1.448 -0.571 0 C-N-CA 126.846 2.058 . . . . 0.0 114.063 178.601 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 10' ' ' PHE . . . . . . . . . . . . . 5.5 m-85 -69.74 -26.37 64.29 Favored 'General case' 0 N--CA 1.455 -0.224 0 O-C-N 121.499 -0.751 . . . . 0.0 111.11 -169.635 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 11' ' ' MET . . . . . . . . . . . . . 43.5 mmm -62.88 -46.67 86.79 Favored 'General case' 0 N--CA 1.453 -0.286 0 N-CA-C 108.317 -0.994 . . . . 0.0 108.317 176.346 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 47.4 mt -63.93 -43.77 94.89 Favored 'General case' 0 C--N 1.332 -0.185 0 O-C-N 121.98 -0.45 . . . . 0.0 109.849 176.798 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 14.8 t80 -54.46 -45.07 73.04 Favored 'General case' 0 C--N 1.34 0.179 0 N-CA-C 109.603 -0.517 . . . . 0.0 109.603 178.734 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 14' ' ' MET . . . . . . . . . . . . . 20.1 ttm -56.17 -61.55 2.31 Favored 'General case' 0 N--CA 1.446 -0.644 0 CA-C-O 118.605 -0.712 . . . . 0.0 109.981 172.653 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 5.3 mtpm? -47.34 -41.29 19.17 Favored 'General case' 0 CA--C 1.535 0.4 0 CA-C-N 119.402 1.001 . . . . 0.0 111.96 -177.179 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 46.9 mt-10 -71.88 -69.6 0.38 Allowed 'General case' 0 CA--C 1.538 0.497 0 C-N-CA 123.106 0.562 . . . . 0.0 112.34 177.832 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 17' ' ' MET . . . . . . . . . . . . . 7.6 mtp -79.9 -26.97 40.03 Favored 'General case' 0 CA--C 1.523 -0.069 0 N-CA-C 114.581 1.326 . . . . 0.0 114.581 -169.047 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 6.8 tmm_? -58.91 -41.87 88.29 Favored 'General case' 0 C--N 1.327 -0.396 0 O-C-N 121.304 -0.873 . . . . 0.0 111.186 -171.774 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -51.79 -47.89 64.04 Favored 'General case' 0 CA--C 1.533 0.288 0 O-C-N 122.137 -0.352 . . . . 0.0 110.452 172.598 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 20' ' ' ASN . . . . . . . . . . . . . 4.4 t30 -59.63 -51.07 71.37 Favored 'General case' 0 C--O 1.224 -0.271 0 CA-C-O 119.111 -0.471 . . . . 0.0 109.874 176.023 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 73.2 t -50.64 -51.12 20.53 Favored 'Isoleucine or valine' 0 N--CA 1.461 0.114 0 CA-C-N 118.968 0.803 . . . . 0.0 110.859 178.152 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 46.9 t -61.89 -36.87 76.4 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.398 0 C-N-CA 122.82 0.448 . . . . 0.0 109.932 -177.703 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -65.26 -46.66 79.62 Favored 'General case' 0 CA--C 1.539 0.525 0 O-C-N 121.871 -0.518 . . . . 0.0 112.185 173.347 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 27.6 mt-10 -69.18 -52.76 24.73 Favored 'General case' 0 CA--C 1.531 0.226 0 CA-C-O 121.112 0.482 . . . . 0.0 111.484 -176.219 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 54.5 p -85.35 175.32 8.96 Favored 'General case' 0 N--CA 1.453 -0.32 0 C-N-CA 124.139 0.975 . . . . 0.0 110.774 -169.921 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 4.9 p -83.91 -10.84 57.68 Favored 'General case' 0 N--CA 1.45 -0.444 0 C-N-CA 123.892 0.877 . . . . 0.0 111.442 170.589 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -89.55 156.67 18.46 Favored 'General case' 0 N--CA 1.45 -0.463 0 CA-C-O 122.162 0.982 . . . . 0.0 113.007 -169.71 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 8.1 mptt -136.34 -44.62 0.62 Allowed 'General case' 0 N--CA 1.449 -0.483 0 CA-C-N 113.774 -1.557 . . . . 0.0 109.392 174.593 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 2.5 mp0 -39.25 104.9 0.04 OUTLIER 'General case' 0 C--O 1.237 0.404 0 C-N-CA 127.239 2.216 . . . . 0.0 109.658 -175.067 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 8.8 t -55.1 -37.86 67.38 Favored 'General case' 0 N--CA 1.448 -0.534 0 N-CA-C 112.962 0.727 . . . . 0.0 112.962 -168.044 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -63.43 -33.97 76.72 Favored 'General case' 0 CA--C 1.535 0.371 0 CA-C-N 119.503 1.047 . . . . 0.0 112.603 179.31 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -76.04 -49.46 17.49 Favored 'General case' 0 CA--C 1.531 0.233 0 CA-C-O 121.856 0.836 . . . . 0.0 109.416 175.478 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 33' ' ' ILE . . . . . . . . . . . . . 6.2 mm -54.34 -35.8 31.72 Favored 'Isoleucine or valine' 0 CA--C 1.547 0.839 0 C-N-CA 124.91 1.284 . . . . 0.0 111.574 177.828 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 3.4 m-80 -57.88 -44.95 87.02 Favored 'General case' 0 N--CA 1.462 0.156 0 C-N-CA 124.426 1.09 . . . . 0.0 112.089 169.818 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 42.5 mt-30 -68.03 -37.8 81.8 Favored 'General case' 0 N--CA 1.453 -0.315 0 O-C-N 121.808 -0.558 . . . . 0.0 109.881 178.298 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 21.7 mt -52.71 -53.36 21.07 Favored 'Isoleucine or valine' 0 C--N 1.341 0.237 0 N-CA-C 109.382 -0.599 . . . . 0.0 109.382 169.556 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 10.5 mt -57.28 -41.92 80.67 Favored 'General case' 0 CA--C 1.534 0.343 0 CA-C-N 118.983 0.81 . . . . 0.0 111.516 177.01 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -48.57 -51.25 22.92 Favored Glycine 0 CA--C 1.53 1.03 0 C-N-CA 123.955 0.788 . . . . 0.0 111.386 172.933 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 1.1 tmt_? -57.96 -62.81 1.54 Allowed 'General case' 0 N--CA 1.449 -0.5 0 O-C-N 121.901 -0.764 . . . . 0.0 109.68 171.993 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 81.5 mtt180 -57.63 -22.54 46.08 Favored 'General case' 0 C--O 1.231 0.122 0 C-N-CA 123.67 0.788 . . . . 0.0 112.78 -169.705 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 41' ' ' TRP . . . . . . . . . . . . . 65.6 t-105 -47.67 -42.11 23.99 Favored 'General case' 0 N--CA 1.452 -0.325 0 CA-C-N 118.866 0.757 . . . . 0.0 111.272 170.733 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 42' ' ' HIS . . . . . . . . . . . . . 74.2 m80 -60.98 -18.6 58.27 Favored 'General case' 0 N--CA 1.453 -0.289 0 C-N-CA 123.777 0.831 . . . . 0.0 112.734 -176.076 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -79.07 -18.47 53.35 Favored 'General case' 0 CA--C 1.534 0.335 0 CA-C-N 118.04 0.382 . . . . 0.0 111.578 176.718 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 36.1 mt -69.34 125.26 26.14 Favored 'General case' 0 N--CA 1.453 -0.28 0 CA-C-N 118.658 0.663 . . . . 0.0 110.472 -179.803 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 82.4 p -57.6 160.59 4.19 Favored 'General case' 0 CA--C 1.532 0.253 0 N-CA-C 109.455 -0.572 . . . . 0.0 109.455 169.349 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 41.8 ttm180 -48.87 -41.79 34.51 Favored 'General case' 0 CA--C 1.534 0.364 0 O-C-N 122.023 -0.423 . . . . 0.0 110.801 175.878 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 2.5 mp0 -63.42 -52.32 62.06 Favored 'General case' 0 N--CA 1.453 -0.308 0 C-N-CA 123.986 0.914 . . . . 0.0 111.033 178.387 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 34.2 mt-10 -56.59 -43.41 80.07 Favored 'General case' 0 CA--C 1.529 0.142 0 CA-C-O 119.641 -0.219 . . . . 0.0 110.668 177.361 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 73.7 mt-30 -56.72 -58.82 6.46 Favored 'General case' 0 N--CA 1.454 -0.256 0 N-CA-C 109.058 -0.719 . . . . 0.0 109.058 174.369 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -46.94 -43.62 19.23 Favored 'General case' 0 C--O 1.235 0.335 0 C-N-CA 124.064 0.946 . . . . 0.0 112.063 -179.119 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 8.1 pttt -46.48 -42.17 15.1 Favored 'General case' 0 CA--C 1.532 0.285 0 C-N-CA 123.254 0.622 . . . . 0.0 111.327 176.514 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 52' ' ' TYR . . . . . . . . . . . . . 44.0 m-85 -65.34 -34.78 79.13 Favored 'General case' 0 CA--C 1.515 -0.398 0 O-C-N 121.471 -0.768 . . . . 0.0 112.931 -179.63 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 53' ' ' TYR . . . . . . . . . . . . . 48.0 m-85 -72.98 -40.17 65.51 Favored 'General case' 0 N--CA 1.45 -0.427 0 N-CA-C 107.469 -1.308 . . . . 0.0 107.469 -177.928 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 80.3 mm-40 -54.12 -62.39 1.68 Allowed 'General case' 0 CA--C 1.536 0.411 0 N-CA-C 109.327 -0.62 . . . . 0.0 109.327 169.591 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 5.3 mp -47.94 -51.57 22.99 Favored 'General case' 0 C--O 1.226 -0.181 0 C-N-CA 124.49 1.116 . . . . 0.0 113.456 178.048 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -53.24 -46.11 69.02 Favored 'General case' 0 C--N 1.329 -0.298 0 N-CA-C 109.497 -0.557 . . . . 0.0 109.497 177.89 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 87.0 mtm180 -66.41 -33.35 75.52 Favored 'General case' 0 CA--C 1.536 0.426 0 O-C-N 121.863 -0.523 . . . . 0.0 112.113 175.961 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 70.3 mmtt -60.25 -49.2 78.55 Favored 'General case' 0 CA--C 1.53 0.208 0 O-C-N 120.705 -1.247 . . . . 0.0 109.984 171.554 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 23.0 mm-40 -55.23 -49.31 72.32 Favored 'General case' 0 CA--C 1.535 0.377 0 C-N-CA 123.087 0.555 . . . . 0.0 110.269 175.377 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 60' ' ' ARG . . . . . . . . . . . . . 65.3 ttt-85 -51.92 -52.84 47.14 Favored 'General case' 0 CA--C 1.533 0.323 0 C-N-CA 123.925 0.89 . . . . 0.0 110.952 176.988 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 61' ' ' GLN . . . . . . . . . . . . . 32.1 mt-30 -62.0 -49.76 74.79 Favored 'General case' 0 CA--C 1.53 0.208 0 O-C-N 121.975 -0.453 . . . . 0.0 110.779 178.855 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 42.1 tp -48.41 -47.42 37.8 Favored 'General case' 0 CA--C 1.526 0.057 0 C-N-CA 123.85 0.86 . . . . 0.0 109.766 177.372 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 63' ' ' HIS . . . . . . . . . . . . . 1.9 t-80 -48.35 -40.91 27.01 Favored 'General case' 0 CA--C 1.532 0.258 0 C-N-CA 123.452 0.701 . . . . 0.0 112.269 177.588 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 64' ' ' MET . . . . . . . . . . . . . 70.8 mtp -65.86 -29.9 70.42 Favored 'General case' 0 CA--C 1.531 0.247 0 CA-C-N 118.087 0.403 . . . . 0.0 110.89 179.923 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 65' ' ' GLN . . . . . . . . . . . . . 17.4 mt-30 -78.96 -46.08 19.06 Favored 'General case' 0 N--CA 1.452 -0.328 0 N-CA-C 108.464 -0.939 . . . . 0.0 108.464 179.385 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 52.5 mt -60.58 -49.2 78.49 Favored 'General case' 0 CA--C 1.533 0.291 0 C-N-CA 122.721 0.408 . . . . 0.0 111.092 179.1 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 67' ' ' TYR . . . . . . . . . . . . . 84.9 m-85 -134.86 78.49 54.45 Favored Pre-proline 0 CA--C 1.532 0.284 0 C-N-CA 124.109 0.963 . . . . 0.0 110.588 -174.484 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 68' ' ' PRO . . . . . . . . . . . . . 33.2 Cg_endo -59.48 -22.45 66.35 Favored 'Trans proline' 0 N--CA 1.458 -0.569 0 C-N-CA 123.086 2.524 . . . . 0.0 113.501 -175.36 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . -125.3 31.08 4.34 Favored Glycine 0 C--N 1.338 0.667 0 CA-C-O 119.299 -0.723 . . . . 0.0 112.894 173.995 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 70' ' ' TRP . . . . . . . . . . . . . 13.3 t90 -69.36 120.67 15.53 Favored 'General case' 0 N--CA 1.457 -0.124 0 N-CA-C 106.228 -1.768 . . . . 0.0 106.228 168.268 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 69.4 m -56.34 145.89 25.7 Favored 'General case' 0 CA--C 1.5 -0.966 0 N-CA-C 112.352 0.501 . . . . 0.0 112.352 173.828 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -56.88 133.05 54.23 Favored 'General case' 0 N--CA 1.433 -1.314 0 N-CA-C 100.341 -3.948 . . . . 0.0 100.341 165.258 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 73' ' ' ARG . . . . . 0.448 ' CB ' " H4'" ' B' ' 12' ' ' ' DG' 0.276 0.0 OUTLIER 2.44 81.67 0.0 OUTLIER 'General case' 0 C--N 1.313 -0.981 0 C-N-CA 130.654 3.582 . . . . 0.0 118.634 -159.841 . . . . . . . . 4 4 . 1 . 012 nuclear orig full ' A' A ' 74' ' ' ASP . . . . . . . . . . . . . 19.5 p-10 -57.17 -40.52 77.49 Favored 'General case' 0 CA--C 1.537 0.453 0 CA-C-N 113.425 -1.716 . . . . 0.0 108.054 166.236 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 75' ' ' ASN . . . . . . . . . . . . . 29.2 m120 -79.57 12.21 2.65 Favored 'General case' 0 CA--C 1.533 0.32 0 C-N-CA 125.04 1.336 . . . . 0.0 112.192 -177.074 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 76' ' ' TYR . . . . . . . . . . . . . 16.4 t80 -59.21 124.64 20.65 Favored 'General case' 0 N--CA 1.455 -0.18 0 CA-C-N 120.184 1.356 . . . . 0.0 111.068 -178.955 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 57.99 27.36 59.57 Favored Glycine 0 CA--C 1.53 1.015 0 CA-C-O 118.464 -1.187 . . . . 0.0 113.162 -175.504 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 11.4 mptt -85.87 -26.41 25.66 Favored 'General case' 0 C--N 1.341 0.236 0 CA-C-N 119.459 1.63 . . . . 0.0 110.517 169.99 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 40.7 mttm -62.58 132.38 52.19 Favored 'General case' 0 CA--C 1.534 0.35 0 N-CA-C 106.939 -1.504 . . . . 0.0 106.939 168.941 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -83.9 56.26 3.61 Favored 'General case' 0 N--CA 1.463 0.207 0 O-C-N 121.274 -0.891 . . . . 0.0 109.291 -172.898 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 19.7 ptmt -62.23 120.71 11.47 Favored 'General case' 0 N--CA 1.449 -0.522 0 CA-C-N 115.753 -0.658 . . . . 0.0 111.791 -169.339 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 82' ' ' ARG . . . . . . . . . . . . . 64.2 mtt85 -44.88 -46.68 10.99 Favored 'General case' 0 C--N 1.343 0.283 0 C-N-CA 124.03 0.932 . . . . 0.0 111.543 -179.011 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . 66.4 mttm -47.13 -47.91 23.3 Favored 'General case' 0 CA--C 1.535 0.397 0 C-N-CA 124.131 0.973 . . . . 0.0 112.096 176.651 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 84' ' ' ARG . . . . . . . . . . . . . 1.5 tmm_? -83.96 67.95 9.82 Favored 'General case' 0 C--O 1.226 -0.16 0 N-CA-C 107.283 -1.377 . . . . 0.0 107.283 175.857 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 47.1 mt-10 25.32 58.61 0.05 Allowed 'General case' 0 CA--C 1.536 0.44 0 C-N-CA 127.604 2.362 . . . . 0.0 112.543 -175.328 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 39.1 mtpt . . . . . 0 C--O 1.234 0.283 0 C-N-CA 123.721 0.808 . . . . 0.0 110.988 -169.971 . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' B' B ' 1' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.529 2.192 1 O4'-C1'-N19 111.613 4.767 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 2' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.417 -2.633 0 O4'-C1'-N19 110.666 3.582 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' B' B ' 3' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.533 2.717 0 P-O3'-C3' 123.879 3.482 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' B' B ' 4' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.416 -2.711 0 O4'-C4'-C3' 108.523 2.923 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' B' B ' 5' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.409 -3.367 0 P-O3'-C3' 122.372 2.226 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' B' B ' 6' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.41 -3.256 0 P-O3'-C3' 121.818 1.765 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' B' B ' 7' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.416 -2.744 0 C4'-C3'-C2' 99.996 -3.204 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' B' B ' 8' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.407 -3.556 0 C3'-C2'-C1' 106.704 2.86 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' B' B ' 9' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.416 -2.751 0 P-O3'-C3' 123.517 3.181 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' B' B ' 10' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.417 -2.646 0 P-O3'-C3' 122.722 2.518 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' B' B ' 11' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.422 -2.19 2 O4'-C1'-N19 115.175 9.219 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 12' ' ' ' DG' . . . . . 0.448 " H4'" ' CB ' ' A' ' 73' ' ' ARG . . . . . . . . 0 O4'--C4' 1.413 -3.024 2 P-O3'-C3' 126.441 5.617 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' B' B ' 13' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.41 -3.23 1 O4'-C1'-N19 112.23 5.537 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 14' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.533 2.746 0 O4'-C1'-N19 110.39 3.238 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' B' B ' 15' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.411 -3.188 0 O4'-C1'-N19 110.044 2.805 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' C' C ' 1' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.415 -2.82 1 O4'-C1'-N19 112.262 5.578 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' C' C ' 2' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.533 2.772 0 O4'-C1'-N19 110.381 3.226 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' C' C ' 3' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.415 -2.807 2 O4'-C1'-N19 114.448 8.31 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' C' C ' 4' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.533 2.741 0 O4'-C4'-C3' 108.083 2.483 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' C' C ' 5' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.412 -3.059 1 O4'-C1'-N19 112.425 5.781 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' C' C ' 6' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.532 2.62 0 O4'-C1'-C2' 101.989 -3.737 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' C' C ' 7' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.411 -3.17 0 O4'-C1'-N19 110.165 2.956 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' C' C ' 8' ' ' ' DA' . . . . . 0.537 " C1'" ' HE2' ' A' ' 5' ' ' LYS . . . . . . . . 0 C5'--C4' 1.537 3.219 0 O4'-C1'-N19 109.957 2.696 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' C' C ' 9' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.411 -3.152 0 C5'-C4'-C3' 109.299 -3.601 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' C' C ' 10' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.412 -3.048 1 O4'-C1'-N19 111.521 4.652 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' C' C ' 11' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.415 -2.84 0 O4'-C1'-C2' 103.393 -2.461 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' C' C ' 12' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.533 2.769 0 O3'-P-O5' 98.81 -2.731 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' C' C ' 13' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.414 -2.874 1 O4'-C1'-N19 111.908 5.135 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' C' C ' 14' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.412 -3.125 0 O4'-C1'-C2' 102.976 -2.84 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' C' C ' 15' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.416 -2.728 0 O4'-C1'-N19 110.37 3.212 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 6.1 p30 . . . . . 0 N--CA 1.449 -0.5 0 CA-C-O 121.824 0.821 . . . . 0.0 111.159 . . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 9' ' ' ALA . . . . . 0.4 ' HB1' ' HB3' ' A' ' 52' ' ' TYR . . . -38.95 -63.39 0.53 Allowed 'General case' 0 N--CA 1.45 -0.431 0 C-N-CA 126.789 2.035 . . . . 0.0 113.683 -178.89 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 10' ' ' PHE . . . . . . . . . . . . . 5.3 m-85 -68.3 -23.54 64.75 Favored 'General case' 0 N--CA 1.455 -0.223 0 O-C-N 121.487 -0.758 . . . . 0.0 111.333 -169.507 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 11' ' ' MET . . . . . . . . . . . . . 58.2 mmm -69.29 -38.57 78.38 Favored 'General case' 0 N--CA 1.451 -0.377 0 N-CA-C 109.16 -0.682 . . . . 0.0 109.16 179.209 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 70.1 mt -68.31 -44.08 76.22 Favored 'General case' 0 CA--C 1.519 -0.239 0 O-C-N 121.762 -0.586 . . . . 0.0 110.031 172.515 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 12.1 t80 -55.46 -44.57 76.53 Favored 'General case' 0 C--N 1.339 0.125 0 C-N-CA 119.858 -0.737 . . . . 0.0 109.815 179.346 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 14' ' ' MET . . . . . . . . . . . . . 32.5 ttm -54.2 -62.74 1.46 Allowed 'General case' 0 N--CA 1.449 -0.489 0 C-N-CA 123.494 0.718 . . . . 0.0 110.144 169.909 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 15.9 mmtt -45.1 -43.5 9.72 Favored 'General case' 0 CA--C 1.537 0.451 0 CA-C-N 118.728 0.695 . . . . 0.0 112.173 -177.511 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 47.1 mt-10 -71.44 -66.09 0.67 Allowed 'General case' 0 CA--C 1.538 0.494 0 C-N-CA 123.343 0.657 . . . . 0.0 112.061 178.182 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 17' ' ' MET . . . . . . . . . . . . . 6.5 mtp -79.83 -32.18 40.59 Favored 'General case' 0 C--O 1.226 -0.149 0 N-CA-C 114.1 1.148 . . . . 0.0 114.1 -169.013 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 7.1 tmm_? -54.95 -43.21 73.2 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 118.829 0.74 . . . . 0.0 111.139 -172.916 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -52.8 -49.43 65.64 Favored 'General case' 0 CA--C 1.534 0.329 0 O-C-N 122.054 -0.404 . . . . 0.0 110.704 173.078 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 20' ' ' ASN . . . . . . . . . . . . . 2.7 t30 -59.94 -48.51 81.39 Favored 'General case' 0 C--O 1.224 -0.272 0 C-N-CA 122.608 0.363 . . . . 0.0 110.08 176.902 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 70.5 t -52.71 -51.45 35.53 Favored 'Isoleucine or valine' 0 C--N 1.333 -0.112 0 CA-C-N 118.776 0.716 . . . . 0.0 110.328 177.493 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 44.8 t -63.05 -38.0 80.87 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.374 0 C-N-CA 122.892 0.477 . . . . 0.0 110.184 -177.098 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -65.29 -45.39 84.58 Favored 'General case' 0 CA--C 1.536 0.424 0 O-C-N 121.958 -0.464 . . . . 0.0 111.911 175.062 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 25.6 mm-40 -73.5 -53.44 10.6 Favored 'General case' 0 CA--C 1.531 0.221 0 C-N-CA 124.205 1.002 . . . . 0.0 111.307 -173.724 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 51.4 p -82.87 177.52 8.61 Favored 'General case' 0 N--CA 1.452 -0.353 0 C-N-CA 123.804 0.842 . . . . 0.0 110.651 -172.498 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 5.0 p -84.09 -10.46 57.8 Favored 'General case' 0 N--CA 1.448 -0.54 0 C-N-CA 123.912 0.885 . . . . 0.0 111.538 170.417 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -90.23 155.94 18.65 Favored 'General case' 0 N--CA 1.451 -0.409 0 CA-C-O 122.196 0.998 . . . . 0.0 112.989 -169.722 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 7.9 mptt -137.08 -42.39 0.57 Allowed 'General case' 0 N--CA 1.45 -0.461 0 CA-C-N 113.683 -1.599 . . . . 0.0 109.14 173.966 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 2.8 mp0 -39.26 106.29 0.05 Allowed 'General case' 0 C--O 1.235 0.335 0 C-N-CA 127.331 2.252 . . . . 0.0 110.125 -177.253 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 10.8 t -53.58 -47.6 69.98 Favored 'General case' 0 C--O 1.22 -0.47 0 CA-C-N 116.116 -0.493 . . . . 0.0 112.006 -168.625 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -56.8 -38.48 72.61 Favored 'General case' 0 CA--C 1.535 0.369 0 CA-C-N 119.985 1.266 . . . . 0.0 113.161 -178.3 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -71.07 -50.94 28.44 Favored 'General case' 0 CA--C 1.531 0.219 0 CA-C-O 121.798 0.809 . . . . 0.0 109.498 175.642 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 33' ' ' ILE . . . . . . . . . . . . . 6.7 mm -53.33 -34.94 23.37 Favored 'Isoleucine or valine' 0 CA--C 1.546 0.792 0 C-N-CA 124.814 1.246 . . . . 0.0 112.059 178.847 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 82.3 m-20 -74.98 -36.11 62.03 Favored 'General case' 0 C--N 1.329 -0.286 0 O-C-N 120.568 -1.332 . . . . 0.0 109.8 -179.075 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 39.1 mt-30 -64.5 -37.88 89.07 Favored 'General case' 0 CA--C 1.533 0.292 0 O-C-N 121.708 -0.62 . . . . 0.0 109.351 169.278 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 22.0 mt -55.01 -49.88 67.69 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.327 0 CA-C-O 117.979 -1.01 . . . . 0.0 109.651 169.522 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 4.5 mm? -53.07 -45.16 68.01 Favored 'General case' 0 N--CA 1.469 0.49 0 CA-C-N 120.682 1.583 . . . . 0.0 110.566 174.5 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -47.62 -54.94 10.05 Favored Glycine 0 CA--C 1.533 1.172 0 C-N-CA 123.699 0.666 . . . . 0.0 112.036 172.361 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -55.58 -52.82 62.46 Favored 'General case' 0 N--CA 1.45 -0.435 0 O-C-N 121.441 -1.035 . . . . 0.0 110.257 174.261 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 4.8 mmp_? -59.29 -28.56 66.87 Favored 'General case' 0 N--CA 1.454 -0.272 0 C-N-CA 123.513 0.725 . . . . 0.0 110.208 -171.821 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 41' ' ' TRP . . . . . . . . . . . . . 56.7 t-105 -52.51 -38.52 59.76 Favored 'General case' 0 N--CA 1.452 -0.335 0 O-C-N 121.897 -0.502 . . . . 0.0 111.224 175.312 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 42' ' ' HIS . . . . . . . . . . . . . 51.7 m80 -61.3 -19.69 62.06 Favored 'General case' 0 N--CA 1.453 -0.292 0 C-N-CA 123.649 0.78 . . . . 0.0 112.076 -177.189 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -79.44 -19.16 50.6 Favored 'General case' 0 CA--C 1.534 0.364 0 C-N-CA 122.701 0.4 . . . . 0.0 112.043 176.486 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 26.8 mt -73.96 122.35 22.45 Favored 'General case' 0 N--CA 1.454 -0.255 0 CA-C-N 118.796 0.725 . . . . 0.0 111.077 -174.787 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 79.4 p -59.1 158.93 7.97 Favored 'General case' 0 CA--C 1.532 0.265 0 N-CA-C 109.047 -0.723 . . . . 0.0 109.047 168.99 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 41.6 ptt180 -50.75 -36.85 38.72 Favored 'General case' 0 CA--C 1.536 0.411 0 O-C-N 121.787 -0.57 . . . . 0.0 111.797 179.141 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 59.1 mp0 -67.0 -49.94 63.78 Favored 'General case' 0 N--CA 1.453 -0.322 0 C-N-CA 123.292 0.637 . . . . 0.0 110.756 177.559 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 36.8 mt-10 -56.2 -43.2 78.24 Favored 'General case' 0 C--O 1.227 -0.124 0 O-C-N 122.256 -0.277 . . . . 0.0 110.458 175.694 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 73.3 mt-30 -56.65 -59.2 5.36 Favored 'General case' 0 N--CA 1.455 -0.197 0 N-CA-C 109.094 -0.706 . . . . 0.0 109.094 174.334 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -46.93 -43.61 19.17 Favored 'General case' 0 C--O 1.235 0.301 0 C-N-CA 123.734 0.813 . . . . 0.0 112.239 -179.439 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -47.59 -40.14 18.51 Favored 'General case' 0 CA--C 1.533 0.3 0 C-N-CA 122.948 0.499 . . . . 0.0 111.524 177.29 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 52' ' ' TYR . . . . . 0.4 ' HB3' ' HB1' ' A' ' 9' ' ' ALA . 38.6 m-85 -64.73 -35.4 80.95 Favored 'General case' 0 CA--C 1.514 -0.413 0 O-C-N 121.502 -0.748 . . . . 0.0 112.904 179.505 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 53' ' ' TYR . . . . . . . . . . . . . 41.2 m-85 -72.0 -42.54 66.3 Favored 'General case' 0 N--CA 1.45 -0.44 0 N-CA-C 107.031 -1.47 . . . . 0.0 107.031 -176.515 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 43.1 mt-10 -53.84 -64.16 0.92 Allowed 'General case' 0 CA--C 1.536 0.41 0 C-N-CA 122.714 0.405 . . . . 0.0 110.253 170.045 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 4.6 mp -46.02 -52.52 11.71 Favored 'General case' 0 N--CA 1.462 0.15 0 C-N-CA 124.562 1.145 . . . . 0.0 113.092 176.585 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.369 0 N-CA-C 108.588 -0.893 . . . . 0.0 108.588 176.785 . . . . . . . . 0 0 . 1 . 002 nuclear build core ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 5.0 p30 . . . . . 0 N--CA 1.442 -0.852 0 CA-C-O 122.702 1.239 . . . . 0.0 111.316 . . . . . . . . . 0 0 . 1 . 002 nuclear build core ' A' A ' 9' ' ' ALA . . . . . 0.482 ' CB ' ' HB3' ' A' ' 52' ' ' TYR . . . -38.84 -56.89 1.3 Allowed 'General case' 0 N--CA 1.442 -0.86 0 C-N-CA 126.824 2.05 . . . . 0.0 113.425 -178.671 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 10' ' ' PHE . . . . . . . . . . . . . 5.0 m-85 -69.59 -26.43 64.45 Favored 'General case' 0 N--CA 1.451 -0.377 0 O-C-N 121.563 -0.711 . . . . 0.0 111.223 -171.253 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 11' ' ' MET . . . . . . . . . . . . . 56.8 mmm -69.84 -42.61 73.37 Favored 'General case' 0 N--CA 1.453 -0.28 0 N-CA-C 108.645 -0.872 . . . . 0.0 108.645 -179.98 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 45.4 mt -63.79 -44.54 93.04 Favored 'General case' 0 N--CA 1.456 -0.166 0 O-C-N 121.842 -0.536 . . . . 0.0 109.587 173.75 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 23.3 t80 -54.37 -46.44 73.03 Favored 'General case' 0 C--N 1.341 0.208 0 N-CA-C 109.549 -0.537 . . . . 0.0 109.549 178.903 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 14' ' ' MET . . . . . . . . . . . . . 31.6 ttm -53.85 -59.96 3.95 Favored 'General case' 0 N--CA 1.448 -0.542 0 C-N-CA 123.253 0.621 . . . . 0.0 110.3 171.33 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 31.6 mttt -48.36 -44.17 34.27 Favored 'General case' 0 CA--C 1.534 0.356 0 CA-C-N 119.205 0.911 . . . . 0.0 112.136 -177.549 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 45.4 mt-10 -69.35 -62.17 1.49 Allowed 'General case' 0 CA--C 1.536 0.432 0 C-N-CA 122.844 0.458 . . . . 0.0 111.883 179.578 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 17' ' ' MET . . . . . . . . . . . . . 6.6 mtp -84.7 -30.27 24.93 Favored 'General case' 0 C--O 1.226 -0.144 0 N-CA-C 114.628 1.344 . . . . 0.0 114.628 -169.08 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 7.1 tmm_? -56.92 -43.91 81.92 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-N 119.112 0.869 . . . . 0.0 111.466 -171.708 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -52.7 -47.25 67.37 Favored 'General case' 0 CA--C 1.534 0.339 0 O-C-N 121.74 -0.6 . . . . 0.0 110.603 172.848 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 20' ' ' ASN . . . . . . . . . . . . . 5.8 t30 -61.9 -45.98 91.39 Favored 'General case' 0 N--CA 1.453 -0.301 0 CA-C-O 119.545 -0.264 . . . . 0.0 110.476 177.503 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 72.5 t -53.79 -51.39 44.69 Favored 'Isoleucine or valine' 0 C--O 1.227 -0.088 0 CA-C-N 118.827 0.74 . . . . 0.0 110.481 175.677 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 51.0 t -60.73 -36.73 72.99 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.38 0 N-CA-C 109.701 -0.481 . . . . 0.0 109.701 -178.33 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -65.02 -46.68 80.33 Favored 'General case' 0 CA--C 1.539 0.532 0 O-C-N 121.879 -0.513 . . . . 0.0 112.267 172.93 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 60.7 mt-10 -66.14 -57.71 7.04 Favored 'General case' 0 CA--C 1.531 0.229 0 CA-C-O 121.632 0.729 . . . . 0.0 111.622 -177.742 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 53.2 p -83.97 173.14 11.42 Favored 'General case' 0 N--CA 1.448 -0.545 0 C-N-CA 125.109 1.364 . . . . 0.0 111.466 -168.695 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 9.6 p -81.73 -9.8 59.54 Favored 'General case' 0 N--CA 1.448 -0.531 0 C-N-CA 123.472 0.709 . . . . 0.0 111.13 169.777 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -87.21 159.43 18.84 Favored 'General case' 0 N--CA 1.45 -0.457 0 CA-C-O 122.535 1.16 . . . . 0.0 112.731 -170.041 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 8.4 mptt -142.07 -45.97 0.34 Allowed 'General case' 0 N--CA 1.447 -0.58 0 CA-C-N 113.176 -1.829 . . . . 0.0 108.783 176.066 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 46.7 mt-10 -39.65 103.97 0.03 OUTLIER 'General case' 0 C--N 1.344 0.353 0 C-N-CA 125.994 1.718 . . . . 0.0 109.68 -174.086 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 21.1 t -50.27 -47.14 55.46 Favored 'General case' 0 C--O 1.219 -0.514 0 O-C-N 123.977 0.798 . . . . 0.0 111.163 -168.852 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -52.02 -45.35 64.57 Favored 'General case' 0 CA--C 1.534 0.351 0 CA-C-N 119.022 0.828 . . . . 0.0 112.957 179.401 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -71.91 -48.69 43.75 Favored 'General case' 0 CA--C 1.533 0.326 0 CA-C-O 122.052 0.93 . . . . 0.0 109.615 179.288 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 33' ' ' ILE . . . . . . . . . . . . . 5.8 mm -51.2 -36.79 17.06 Favored 'Isoleucine or valine' 0 CA--C 1.543 0.697 0 C-N-CA 124.569 1.148 . . . . 0.0 111.542 176.841 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 82.1 m-20 -72.03 -30.95 65.7 Favored 'General case' 0 C--N 1.329 -0.294 0 O-C-N 120.589 -1.319 . . . . 0.0 110.362 -179.619 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 84.8 mt-30 -67.77 -39.71 84.1 Favored 'General case' 0 N--CA 1.454 -0.236 0 O-C-N 121.688 -0.633 . . . . 0.0 109.306 169.474 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 23.0 mt -54.36 -49.25 65.7 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.353 0 CA-C-O 118.606 -0.711 . . . . 0.0 110.095 170.117 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 4.3 mm? -54.31 -48.04 71.76 Favored 'General case' 0 CA--C 1.536 0.408 0 CA-C-N 119.965 1.257 . . . . 0.0 109.896 173.751 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -47.78 -50.28 20.52 Favored Glycine 0 CA--C 1.53 1.016 0 C-N-CA 123.467 0.556 . . . . 0.0 111.871 175.538 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -60.9 -56.87 16.01 Favored 'General case' 0 N--CA 1.446 -0.668 0 O-C-N 121.553 -0.969 . . . . 0.0 110.544 175.221 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 69.2 mtt180 -59.72 -30.13 68.6 Favored 'General case' 0 C--O 1.23 0.065 0 C-N-CA 122.767 0.427 . . . . 0.0 111.348 -169.418 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 41' ' ' TRP . . . . . . . . . . . . . 57.9 t-105 -44.18 -41.83 6.03 Favored 'General case' 0 N--CA 1.453 -0.313 0 C-N-CA 122.868 0.467 . . . . 0.0 112.04 171.004 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 42' ' ' HIS . . . . . . . . . . . . . 66.6 m80 -60.08 -20.35 57.7 Favored 'General case' 0 CA--C 1.534 0.328 0 C-N-CA 123.693 0.797 . . . . 0.0 112.618 -176.121 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -79.54 -18.78 51.09 Favored 'General case' 0 CA--C 1.535 0.379 0 C-N-CA 122.872 0.469 . . . . 0.0 112.068 176.373 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 37.7 mt -67.77 124.57 23.68 Favored 'General case' 0 CA--C 1.531 0.23 0 CA-C-N 118.958 0.799 . . . . 0.0 110.439 -178.206 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 80.3 p -57.51 159.97 4.54 Favored 'General case' 0 CA--C 1.531 0.227 0 N-CA-C 109.894 -0.41 . . . . 0.0 109.894 169.489 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 59.8 ttp180 -43.77 -46.4 7.65 Favored 'General case' 0 CA--C 1.533 0.326 0 C-N-CA 123.721 0.808 . . . . 0.0 110.992 173.02 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 49.5 mp0 -66.14 -48.93 69.21 Favored 'General case' 0 N--CA 1.452 -0.343 0 C-N-CA 123.59 0.756 . . . . 0.0 111.073 -178.681 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 35.2 mt-10 -56.02 -44.81 79.08 Favored 'General case' 0 C--O 1.226 -0.162 0 C-N-CA 120.858 -0.337 . . . . 0.0 110.526 175.764 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 71.6 mt-30 -56.98 -56.13 25.77 Favored 'General case' 0 N--CA 1.454 -0.235 0 N-CA-C 109.519 -0.549 . . . . 0.0 109.519 175.202 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -48.18 -44.16 32.36 Favored 'General case' 0 C--O 1.235 0.305 0 C-N-CA 123.471 0.708 . . . . 0.0 111.761 179.874 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -45.88 -44.02 14.13 Favored 'General case' 0 CA--C 1.53 0.206 0 C-N-CA 123.089 0.556 . . . . 0.0 111.07 176.306 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 52' ' ' TYR . . . . . 0.482 ' HB3' ' CB ' ' A' ' 9' ' ' ALA . 44.5 m-85 -63.74 -35.0 79.13 Favored 'General case' 0 N--CA 1.451 -0.412 0 N-CA-C 112.712 0.634 . . . . 0.0 112.712 -178.68 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 53' ' ' TYR . . . . . . . . . . . . . 83.8 m-85 -73.07 -39.88 65.51 Favored 'General case' 0 N--CA 1.451 -0.419 0 N-CA-C 108.465 -0.939 . . . . 0.0 108.465 -177.643 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 16.4 mm-40 -55.9 -59.04 5.45 Favored 'General case' 0 CA--C 1.534 0.359 0 N-CA-C 109.865 -0.42 . . . . 0.0 109.865 169.814 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 5.1 mp -46.31 -53.73 10.26 Favored 'General case' 0 C--O 1.226 -0.171 0 C-N-CA 123.772 0.829 . . . . 0.0 112.786 174.908 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.532 0.285 0 N-CA-C 109.303 -0.629 . . . . 0.0 109.303 179.363 . . . . . . . . 0 0 . 1 . 003 nuclear build core ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 3.3 p30 . . . . . 0 N--CA 1.45 -0.434 0 CA-C-O 121.319 0.581 . . . . 0.0 110.623 . . . . . . . . . 0 0 . 1 . 003 nuclear build core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -39.01 -62.26 0.65 Allowed 'General case' 0 N--CA 1.447 -0.585 0 C-N-CA 126.133 1.773 . . . . 0.0 113.109 -178.549 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 10' ' ' PHE . . . . . . . . . . . . . 5.5 m-85 -72.24 -25.63 61.7 Favored 'General case' 0 N--CA 1.453 -0.316 0 O-C-N 121.507 -0.746 . . . . 0.0 110.979 -171.007 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 11' ' ' MET . . . . . . . . . . . . . 61.5 mmm -66.82 -38.61 86.78 Favored 'General case' 0 CA--C 1.532 0.267 0 N-CA-C 109.135 -0.691 . . . . 0.0 109.135 176.772 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 68.3 mt -68.58 -45.09 72.96 Favored 'General case' 0 CA--C 1.522 -0.109 0 O-C-N 121.721 -0.612 . . . . 0.0 110.22 172.947 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 19.2 t80 -53.67 -46.06 70.5 Favored 'General case' 0 N--CA 1.465 0.288 0 N-CA-C 109.542 -0.54 . . . . 0.0 109.542 179.458 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 14' ' ' MET . . . . . . . . . . . . . 27.2 ttm -54.29 -64.59 0.78 Allowed 'General case' 0 N--CA 1.445 -0.683 0 C-N-CA 124.145 0.978 . . . . 0.0 110.117 170.189 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 18.1 mttt -44.22 -43.1 7.0 Favored 'General case' 0 CA--C 1.536 0.429 0 CA-C-N 119.775 1.171 . . . . 0.0 112.54 -177.587 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 47.7 mt-10 -72.16 -68.05 0.5 Allowed 'General case' 0 CA--C 1.537 0.478 0 C-N-CA 123.29 0.636 . . . . 0.0 112.043 178.481 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 17' ' ' MET . . . . . . . . . . . . . 15.4 mtp -81.49 -25.66 35.83 Favored 'General case' 0 N--CA 1.457 -0.109 0 N-CA-C 114.857 1.428 . . . . 0.0 114.857 -168.816 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 8.0 tmm_? -55.97 -41.81 75.31 Favored 'General case' 0 C--N 1.324 -0.509 0 CA-C-N 119.11 0.868 . . . . 0.0 111.201 -174.693 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -54.26 -47.94 71.73 Favored 'General case' 0 CA--C 1.532 0.264 0 O-C-N 122.019 -0.426 . . . . 0.0 110.662 172.022 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 20' ' ' ASN . . . . . . . . . . . . . 3.9 t30 -58.9 -50.86 72.44 Favored 'General case' 0 N--CA 1.453 -0.302 0 N-CA-C 109.739 -0.467 . . . . 0.0 109.739 176.423 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 78.3 t -50.2 -53.04 12.87 Favored 'Isoleucine or valine' 0 N--CA 1.46 0.037 0 CA-C-N 118.928 0.785 . . . . 0.0 110.472 177.617 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 55.5 t -59.02 -37.24 66.61 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.336 0 C-N-CA 122.718 0.407 . . . . 0.0 110.577 -178.888 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -66.23 -47.82 72.55 Favored 'General case' 0 CA--C 1.538 0.506 0 O-C-N 121.847 -0.533 . . . . 0.0 112.421 173.681 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 23.9 mt-10 -70.14 -52.44 23.54 Favored 'General case' 0 CA--C 1.53 0.186 0 O-C-N 121.805 -0.559 . . . . 0.0 111.45 -174.717 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 54.7 p -87.93 176.74 7.2 Favored 'General case' 0 N--CA 1.453 -0.322 0 C-N-CA 123.898 0.879 . . . . 0.0 111.077 -169.733 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 3.9 p -81.37 -12.91 58.84 Favored 'General case' 0 N--CA 1.447 -0.604 0 C-N-CA 123.797 0.839 . . . . 0.0 111.13 169.77 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 4.1 mm? -81.79 155.82 25.24 Favored 'General case' 0 N--CA 1.447 -0.616 0 CA-C-N 119.16 0.891 . . . . 0.0 113.17 -169.957 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 1.9 mptp? -141.22 -33.98 0.5 Allowed 'General case' 0 N--CA 1.454 -0.239 0 C-N-CA 125.784 1.634 . . . . 0.0 110.805 168.557 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 2.7 mp0 -52.89 110.6 0.54 Allowed 'General case' 0 N--CA 1.45 -0.47 0 C-N-CA 125.163 1.385 . . . . 0.0 108.067 -172.489 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 12.6 t -49.71 -50.67 43.1 Favored 'General case' 0 C--O 1.22 -0.486 0 O-C-N 123.601 0.563 . . . . 0.0 111.984 -168.38 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -55.18 -40.29 70.54 Favored 'General case' 0 CA--C 1.535 0.389 0 O-C-N 120.988 -1.07 . . . . 0.0 113.202 -178.946 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -69.17 -50.04 51.22 Favored 'General case' 0 CA--C 1.53 0.179 0 O-C-N 121.326 -0.859 . . . . 0.0 109.327 176.088 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 33' ' ' ILE . . . . . . . . . . . . . 8.7 mm -53.1 -34.24 21.07 Favored 'Isoleucine or valine' 0 CA--C 1.543 0.704 0 C-N-CA 125.083 1.353 . . . . 0.0 112.094 177.667 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 82.1 m-20 -76.92 -35.63 57.2 Favored 'General case' 0 C--N 1.33 -0.243 0 C-N-CA 124.586 1.154 . . . . 0.0 109.768 -178.167 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 37.9 mt-30 -66.54 -41.0 89.38 Favored 'General case' 0 CA--C 1.535 0.371 0 O-C-N 121.841 -0.537 . . . . 0.0 110.127 169.645 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 15.3 mt -51.0 -55.02 8.35 Favored 'Isoleucine or valine' 0 CA--C 1.531 0.24 0 N-CA-C 109.002 -0.74 . . . . 0.0 109.002 169.885 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 11.8 mt -56.3 -40.99 75.23 Favored 'General case' 0 CA--C 1.533 0.32 0 CA-C-N 118.804 0.729 . . . . 0.0 111.492 177.877 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -49.14 -51.8 24.45 Favored Glycine 0 CA--C 1.531 1.084 0 N-CA-C 111.183 -0.767 . . . . 0.0 111.183 171.374 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -58.75 -55.0 40.78 Favored 'General case' 0 N--CA 1.447 -0.601 0 O-C-N 121.559 -0.965 . . . . 0.0 110.497 173.304 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 31.0 mtp180 -63.74 -22.72 67.05 Favored 'General case' 0 C--N 1.334 -0.077 0 O-C-N 121.606 -0.684 . . . . 0.0 111.413 -169.607 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 41' ' ' TRP . . . . . . . . . . . . . 63.8 t-105 -50.3 -39.18 44.79 Favored 'General case' 0 N--CA 1.452 -0.344 0 O-C-N 121.607 -0.683 . . . . 0.0 111.259 170.271 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 42' ' ' HIS . . . . . . . . . . . . . 61.3 m80 -61.38 -17.63 54.97 Favored 'General case' 0 CA--C 1.532 0.285 0 C-N-CA 123.522 0.729 . . . . 0.0 112.467 -176.379 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -79.02 -18.95 52.68 Favored 'General case' 0 CA--C 1.534 0.365 0 CA-C-N 118.116 0.417 . . . . 0.0 111.78 176.063 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 22.4 mt -70.82 125.36 26.63 Favored 'General case' 0 CA--C 1.53 0.186 0 CA-C-N 118.803 0.729 . . . . 0.0 110.927 -177.445 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 83.7 p -58.34 160.82 4.85 Favored 'General case' 0 CA--C 1.533 0.3 0 N-CA-C 109.478 -0.564 . . . . 0.0 109.478 169.094 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 83.2 mtt85 -49.79 -40.58 42.05 Favored 'General case' 0 CA--C 1.534 0.341 0 O-C-N 122.022 -0.424 . . . . 0.0 111.026 176.45 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 2.4 mp0 -64.19 -52.24 59.87 Favored 'General case' 0 N--CA 1.453 -0.303 0 C-N-CA 123.935 0.894 . . . . 0.0 110.985 178.37 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 34.4 mt-10 -56.15 -43.82 78.65 Favored 'General case' 0 C--O 1.225 -0.206 0 CA-C-O 119.576 -0.249 . . . . 0.0 110.534 177.099 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 74.2 mt-30 -56.68 -59.0 5.67 Favored 'General case' 0 N--CA 1.453 -0.277 0 N-CA-C 109.23 -0.656 . . . . 0.0 109.23 174.316 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -47.18 -43.31 21.1 Favored 'General case' 0 CA--C 1.531 0.248 0 C-N-CA 124.0 0.92 . . . . 0.0 112.16 -178.182 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 12.9 pttt -47.12 -41.35 17.32 Favored 'General case' 0 CA--C 1.534 0.36 0 C-N-CA 122.684 0.394 . . . . 0.0 111.527 177.757 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 52' ' ' TYR . . . . . . . . . . . . . 46.6 m-85 -63.59 -33.9 76.62 Favored 'General case' 0 CA--C 1.517 -0.294 0 N-CA-C 112.768 0.655 . . . . 0.0 112.768 -179.36 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 53' ' ' TYR . . . . . . . . . . . . . 41.5 m-85 -72.53 -38.94 67.9 Favored 'General case' 0 N--CA 1.451 -0.394 0 N-CA-C 107.701 -1.222 . . . . 0.0 107.701 -176.452 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 43.9 mm-40 -58.51 -62.06 2.13 Favored 'General case' 0 CA--C 1.533 0.294 0 N-CA-C 109.681 -0.488 . . . . 0.0 109.681 169.705 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 5.2 mp -46.11 -51.25 14.28 Favored 'General case' 0 C--O 1.226 -0.177 0 C-N-CA 124.112 0.965 . . . . 0.0 113.349 177.801 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.289 0 C-N-CA 122.608 0.363 . . . . 0.0 110.022 177.308 . . . . . . . . 0 0 . 1 . 004 nuclear build core ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 6.5 p30 . . . . . 0 N--CA 1.444 -0.773 0 CA-C-O 122.367 1.079 . . . . 0.0 111.825 . . . . . . . . . 0 0 . 1 . 004 nuclear build core ' A' A ' 9' ' ' ALA . . . . . 0.405 ' CB ' ' HB3' ' A' ' 52' ' ' TYR . . . -38.89 -64.43 0.45 Allowed 'General case' 0 N--CA 1.446 -0.674 0 C-N-CA 126.859 2.064 . . . . 0.0 113.94 179.601 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 10' ' ' PHE . . . . . . . . . . . . . 5.8 m-85 -70.65 -25.96 63.24 Favored 'General case' 0 N--CA 1.456 -0.174 0 O-C-N 121.354 -0.841 . . . . 0.0 111.781 -169.324 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 11' ' ' MET . . . . . . . . . . . . . 69.3 mmm -63.69 -38.09 89.81 Favored 'General case' 0 CA--C 1.535 0.368 0 N-CA-C 109.082 -0.71 . . . . 0.0 109.082 176.503 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 51.7 mt -72.82 -44.24 61.69 Favored 'General case' 0 CA--C 1.52 -0.191 0 O-C-N 121.914 -0.491 . . . . 0.0 110.023 175.441 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 22.3 t80 -53.78 -47.71 70.49 Favored 'General case' 0 N--CA 1.465 0.286 0 N-CA-C 109.331 -0.618 . . . . 0.0 109.331 179.233 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 14' ' ' MET . . . . . . . . . . . . . 8.5 ttm -52.02 -66.43 0.39 Allowed 'General case' 0 N--CA 1.443 -0.804 0 C-N-CA 124.403 1.081 . . . . 0.0 109.619 169.904 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 16.1 mmtt -43.17 -44.93 5.34 Favored 'General case' 0 CA--C 1.537 0.443 0 CA-C-N 119.937 1.244 . . . . 0.0 112.657 -177.078 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 46.3 mt-10 -70.22 -66.51 0.59 Allowed 'General case' 0 CA--C 1.537 0.451 0 C-N-CA 123.137 0.575 . . . . 0.0 112.085 179.258 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 17' ' ' MET . . . . . . . . . . . . . 12.3 mtp -79.87 -27.55 40.06 Favored 'General case' 0 C--O 1.228 -0.077 0 N-CA-C 114.322 1.23 . . . . 0.0 114.322 -169.064 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 3.0 tmm_? -58.09 -36.05 72.3 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 121.432 -0.792 . . . . 0.0 111.449 -173.16 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -55.0 -49.41 71.58 Favored 'General case' 0 CA--C 1.533 0.324 0 O-C-N 121.733 -0.604 . . . . 0.0 110.582 170.283 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 20' ' ' ASN . . . . . . . . . . . . . 33.7 t30 -61.47 -46.39 90.26 Favored 'General case' 0 C--O 1.223 -0.327 0 N-CA-C 110.029 -0.36 . . . . 0.0 110.029 178.001 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 70.1 t -51.26 -54.24 12.11 Favored 'Isoleucine or valine' 0 CA--C 1.528 0.111 0 CA-C-N 118.493 0.588 . . . . 0.0 110.416 174.565 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 45.5 t -62.69 -36.33 74.74 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.385 0 C-N-CA 122.861 0.465 . . . . 0.0 110.473 -175.226 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -66.18 -47.26 74.53 Favored 'General case' 0 CA--C 1.536 0.409 0 O-C-N 122.016 -0.428 . . . . 0.0 111.822 174.114 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 9.9 mm-40 -70.29 -55.24 9.69 Favored 'General case' 0 CA--C 1.529 0.169 0 C-N-CA 124.578 1.151 . . . . 0.0 111.303 -174.006 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 54.3 p -83.63 171.72 13.0 Favored 'General case' 0 N--CA 1.452 -0.354 0 C-N-CA 123.996 0.918 . . . . 0.0 110.324 -172.913 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 8.6 p -78.8 -15.26 58.62 Favored 'General case' 0 N--CA 1.448 -0.562 0 C-N-CA 123.155 0.582 . . . . 0.0 111.435 170.848 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -84.4 156.97 21.57 Favored 'General case' 0 N--CA 1.449 -0.521 0 CA-C-O 122.025 0.917 . . . . 0.0 112.886 -169.453 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 1.5 mptp? -138.71 -40.23 0.5 Allowed 'General case' 0 N--CA 1.453 -0.319 0 C-N-CA 125.623 1.569 . . . . 0.0 109.846 172.613 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 2.8 mp0 -38.98 101.07 0.02 OUTLIER 'General case' 0 C--O 1.236 0.362 0 C-N-CA 127.222 2.209 . . . . 0.0 109.701 -177.173 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 7.7 t -50.48 -41.85 53.7 Favored 'General case' 0 N--CA 1.451 -0.383 0 N-CA-C 113.473 0.916 . . . . 0.0 113.473 -168.123 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -64.14 -33.88 76.78 Favored 'General case' 0 CA--C 1.535 0.4 0 CA-C-N 119.474 1.034 . . . . 0.0 112.865 -179.668 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -74.29 -48.61 27.38 Favored 'General case' 0 CA--C 1.529 0.157 0 O-C-N 121.292 -0.88 . . . . 0.0 109.155 174.812 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 33' ' ' ILE . . . . . . . . . . . . . 5.6 mm -54.02 -38.2 36.89 Favored 'Isoleucine or valine' 0 CA--C 1.544 0.739 0 C-N-CA 124.421 1.089 . . . . 0.0 111.516 178.441 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 4.6 m-80 -55.67 -43.55 76.46 Favored 'General case' 0 N--CA 1.463 0.191 0 O-C-N 121.121 -0.987 . . . . 0.0 111.939 171.23 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 41.8 mt-30 -69.27 -38.74 78.54 Favored 'General case' 0 N--CA 1.454 -0.235 0 O-C-N 121.741 -0.6 . . . . 0.0 110.127 178.855 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 23.3 mt -52.52 -50.62 39.0 Favored 'Isoleucine or valine' 0 C--N 1.342 0.247 0 N-CA-C 109.344 -0.613 . . . . 0.0 109.344 169.653 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 11.0 mt -60.31 -40.98 92.47 Favored 'General case' 0 CA--C 1.533 0.312 0 O-C-N 121.683 -0.635 . . . . 0.0 110.773 179.304 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -48.76 -52.36 20.87 Favored Glycine 0 CA--C 1.53 0.984 0 N-CA-C 111.114 -0.794 . . . . 0.0 111.114 170.288 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -57.27 -54.95 41.03 Favored 'General case' 0 N--CA 1.448 -0.572 0 O-C-N 121.511 -0.994 . . . . 0.0 110.456 173.217 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 91.7 mtt180 -62.02 -24.31 66.98 Favored 'General case' 0 C--O 1.23 0.074 0 O-C-N 121.763 -0.585 . . . . 0.0 111.329 -169.932 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 41' ' ' TRP . . . . . . . . . . . . . 64.7 t-105 -49.48 -39.64 34.44 Favored 'General case' 0 N--CA 1.453 -0.315 0 CA-C-N 118.712 0.687 . . . . 0.0 111.472 171.385 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 42' ' ' HIS . . . . . . . . . . . . . 65.9 m80 -61.5 -17.98 57.07 Favored 'General case' 0 N--CA 1.453 -0.296 0 C-N-CA 123.753 0.821 . . . . 0.0 112.563 -176.096 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -79.31 -18.61 52.28 Favored 'General case' 0 CA--C 1.535 0.377 0 CA-C-N 118.032 0.378 . . . . 0.0 111.909 176.1 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 21.5 mt -71.55 126.27 29.22 Favored 'General case' 0 CA--C 1.53 0.195 0 CA-C-N 118.805 0.73 . . . . 0.0 111.219 -175.943 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 81.6 p -58.29 161.22 4.47 Favored 'General case' 0 CA--C 1.531 0.244 0 N-CA-C 109.742 -0.466 . . . . 0.0 109.742 169.19 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 3.1 tmt_? -46.48 -47.29 19.29 Favored 'General case' 0 CA--C 1.534 0.339 0 C-N-CA 123.251 0.621 . . . . 0.0 109.977 174.438 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 2.7 mp0 -60.78 -52.69 64.02 Favored 'General case' 0 N--CA 1.453 -0.284 0 C-N-CA 123.87 0.868 . . . . 0.0 111.413 179.359 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 33.6 mt-10 -55.94 -43.44 77.42 Favored 'General case' 0 C--O 1.226 -0.16 0 CA-C-O 119.718 -0.182 . . . . 0.0 110.841 177.83 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 74.2 mt-30 -57.42 -58.85 6.44 Favored 'General case' 0 N--CA 1.454 -0.229 0 N-CA-C 109.13 -0.692 . . . . 0.0 109.13 174.857 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -48.49 -42.13 31.91 Favored 'General case' 0 C--O 1.234 0.284 0 C-N-CA 123.824 0.85 . . . . 0.0 112.203 -178.229 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 10.5 pttt -47.24 -40.36 16.28 Favored 'General case' 0 CA--C 1.533 0.289 0 C-N-CA 122.83 0.452 . . . . 0.0 111.406 177.026 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 52' ' ' TYR . . . . . 0.405 ' HB3' ' CB ' ' A' ' 9' ' ' ALA . 38.6 m-85 -64.32 -33.61 76.25 Favored 'General case' 0 CA--C 1.517 -0.322 0 O-C-N 121.396 -0.815 . . . . 0.0 113.152 -179.477 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 53' ' ' TYR . . . . . . . . . . . . . 31.4 m-85 -73.35 -40.16 64.64 Favored 'General case' 0 N--CA 1.451 -0.405 0 N-CA-C 107.151 -1.425 . . . . 0.0 107.151 -176.465 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 44.3 mt-10 -56.47 -60.46 3.49 Favored 'General case' 0 CA--C 1.535 0.393 0 CA-C-N 115.898 -0.592 . . . . 0.0 109.749 169.696 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 5.8 mp -46.95 -51.04 17.92 Favored 'General case' 0 C--O 1.226 -0.152 0 C-N-CA 124.531 1.132 . . . . 0.0 113.571 175.716 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.233 0.218 0 N-CA-C 109.017 -0.735 . . . . 0.0 109.017 177.567 . . . . . . . . 0 0 . 1 . 005 nuclear build core ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 4.2 p30 . . . . . 0 N--CA 1.444 -0.728 0 CA-C-O 122.415 1.102 . . . . 0.0 110.88 . . . . . . . . . 0 0 . 1 . 005 nuclear build core ' A' A ' 9' ' ' ALA . . . . . 0.441 ' CB ' ' HB3' ' A' ' 52' ' ' TYR . . . -38.75 -58.22 1.1 Allowed 'General case' 0 N--CA 1.444 -0.728 0 C-N-CA 126.295 1.838 . . . . 0.0 113.307 -178.729 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 10' ' ' PHE . . . . . . . . . . . . . 5.2 m-85 -71.33 -27.16 63.18 Favored 'General case' 0 N--CA 1.451 -0.394 0 O-C-N 121.53 -0.731 . . . . 0.0 111.055 -170.839 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 11' ' ' MET . . . . . . . . . . . . . 64.6 mmm -68.19 -43.52 77.93 Favored 'General case' 0 N--CA 1.453 -0.309 0 N-CA-C 108.387 -0.968 . . . . 0.0 108.387 178.705 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 67.3 mt -63.09 -44.79 94.76 Favored 'General case' 0 C--N 1.332 -0.18 0 O-C-N 121.482 -0.761 . . . . 0.0 110.16 173.747 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 33.8 t80 -52.79 -46.8 67.77 Favored 'General case' 0 C--O 1.232 0.16 0 N-CA-C 109.724 -0.473 . . . . 0.0 109.724 178.935 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 14' ' ' MET . . . . . . . . . . . . . 28.8 ttm -52.95 -63.64 1.08 Allowed 'General case' 0 N--CA 1.448 -0.556 0 C-N-CA 123.743 0.817 . . . . 0.0 110.124 171.575 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 4.1 mtpm? -48.31 -42.67 31.68 Favored 'General case' 0 CA--C 1.535 0.4 0 CA-C-N 119.096 0.862 . . . . 0.0 111.921 -176.155 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 48.9 mt-10 -70.43 -69.86 0.33 Allowed 'General case' 0 CA--C 1.536 0.434 0 C-N-CA 123.139 0.576 . . . . 0.0 112.025 179.957 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 17' ' ' MET . . . . . . . . . . . . . 13.4 mtp -79.91 -22.32 42.89 Favored 'General case' 0 C--O 1.23 0.077 0 N-CA-C 114.448 1.277 . . . . 0.0 114.448 -169.465 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 21.2 ttp85 -57.23 -38.32 73.61 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 119.163 0.892 . . . . 0.0 112.185 -171.585 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -52.4 -46.92 66.48 Favored 'General case' 0 CA--C 1.533 0.308 0 O-C-N 121.369 -0.832 . . . . 0.0 110.688 173.271 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 20' ' ' ASN . . . . . . . . . . . . . 12.4 t30 -62.34 -49.88 73.83 Favored 'General case' 0 N--CA 1.451 -0.382 0 N-CA-C 109.732 -0.47 . . . . 0.0 109.732 177.308 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 21' ' ' VAL . . . . . 0.421 HG13 HG21 ' A' ' 36' ' ' ILE . 43.8 t -49.0 -54.6 5.01 Favored 'Isoleucine or valine' 0 N--CA 1.461 0.099 0 CA-C-N 117.962 0.346 . . . . 0.0 110.918 176.177 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 43.1 t -56.3 -49.66 75.49 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.469 0 N-CA-C 108.085 -1.08 . . . . 0.0 108.085 -175.809 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -53.83 -52.76 59.34 Favored 'General case' 0 CA--C 1.537 0.467 0 N-CA-C 112.175 0.435 . . . . 0.0 112.175 175.159 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 41.1 mt-10 -62.03 -54.92 34.74 Favored 'General case' 0 CA--C 1.532 0.268 0 CA-C-O 121.434 0.635 . . . . 0.0 111.933 -177.013 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 87.3 p -79.71 -25.1 41.27 Favored 'General case' 0 CA--C 1.514 -0.412 0 N-CA-C 115.416 1.636 . . . . 0.0 115.416 -167.963 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 17.6 p 64.71 6.63 3.36 Favored 'General case' 0 C--N 1.32 -0.714 0 C-N-CA 127.03 2.132 . . . . 0.0 112.226 -168.814 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -79.43 159.13 27.16 Favored 'General case' 0 C--N 1.343 0.323 0 CA-C-N 118.668 0.667 . . . . 0.0 109.618 169.117 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 8.3 mptt -132.8 -44.44 0.88 Allowed 'General case' 0 N--CA 1.448 -0.526 0 C-N-CA 124.223 1.009 . . . . 0.0 109.294 176.411 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 2.7 mp0 -38.95 102.32 0.02 OUTLIER 'General case' 0 N--CA 1.452 -0.337 0 C-N-CA 127.584 2.354 . . . . 0.0 109.285 -174.728 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 9.3 t -52.62 -38.26 59.89 Favored 'General case' 0 N--CA 1.449 -0.518 0 N-CA-C 113.179 0.807 . . . . 0.0 113.179 -168.042 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -63.45 -37.73 88.41 Favored 'General case' 0 CA--C 1.535 0.375 0 CA-C-N 119.603 1.092 . . . . 0.0 112.504 178.939 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -69.43 -49.21 57.26 Favored 'General case' 0 N--CA 1.462 0.174 0 CA-C-O 122.447 1.118 . . . . 0.0 109.021 175.444 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 33' ' ' ILE . . . . . . . . . . . . . 4.6 mm -59.63 -35.72 61.16 Favored 'Isoleucine or valine' 0 CA--C 1.542 0.66 0 C-N-CA 124.725 1.21 . . . . 0.0 111.543 -177.356 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 3.8 m-80 -58.24 -45.91 86.92 Favored 'General case' 0 N--CA 1.462 0.141 0 C-N-CA 124.283 1.033 . . . . 0.0 111.351 169.816 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 40.1 mt-30 -66.22 -40.63 90.42 Favored 'General case' 0 N--CA 1.454 -0.245 0 O-C-N 121.874 -0.516 . . . . 0.0 110.441 178.142 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 36' ' ' ILE . . . . . 0.421 HG21 HG13 ' A' ' 21' ' ' VAL . 45.1 mt -51.21 -54.64 10.35 Favored 'Isoleucine or valine' 0 C--N 1.341 0.217 0 N-CA-C 109.627 -0.509 . . . . 0.0 109.627 170.605 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 16.2 mt -55.72 -44.58 77.63 Favored 'General case' 0 CA--C 1.534 0.361 0 CA-C-N 118.574 0.624 . . . . 0.0 111.433 176.601 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -49.65 -48.71 35.48 Favored Glycine 0 CA--C 1.529 0.939 0 N-CA-C 111.232 -0.747 . . . . 0.0 111.232 176.08 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -60.17 -62.66 1.71 Allowed 'General case' 0 N--CA 1.448 -0.549 0 O-C-N 122.217 -0.578 . . . . 0.0 110.272 172.28 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 51.1 mtt180 -54.72 -32.45 59.68 Favored 'General case' 0 C--N 1.338 0.091 0 C-N-CA 123.716 0.806 . . . . 0.0 112.893 -169.397 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 41' ' ' TRP . . . . . . . . . . . . . 55.8 t-105 -40.59 -43.37 1.88 Allowed 'General case' 0 CA--C 1.531 0.236 0 C-N-CA 123.382 0.673 . . . . 0.0 112.247 172.803 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 42' ' ' HIS . . . . . . . . . . . . . 75.6 m80 -59.1 -19.88 48.44 Favored 'General case' 0 CA--C 1.533 0.323 0 N-CA-C 112.873 0.694 . . . . 0.0 112.873 -174.713 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -79.1 -19.24 51.69 Favored 'General case' 0 CA--C 1.534 0.343 0 C-N-CA 123.071 0.548 . . . . 0.0 111.9 177.299 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 40.3 mt -62.87 128.54 36.36 Favored 'General case' 0 C--O 1.234 0.265 0 CA-C-N 118.943 0.792 . . . . 0.0 109.993 178.75 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 80.2 p -58.69 155.4 12.73 Favored 'General case' 0 N--CA 1.453 -0.277 0 N-CA-C 108.95 -0.759 . . . . 0.0 108.95 169.811 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -50.53 -35.68 30.67 Favored 'General case' 0 CA--C 1.534 0.33 0 O-C-N 121.731 -0.606 . . . . 0.0 110.957 175.45 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 50.1 mp0 -67.37 -50.05 61.39 Favored 'General case' 0 N--CA 1.452 -0.343 0 C-N-CA 123.563 0.745 . . . . 0.0 110.882 176.262 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 43.4 mt-10 -56.19 -43.91 78.92 Favored 'General case' 0 CA--C 1.531 0.22 0 O-C-N 122.007 -0.433 . . . . 0.0 110.581 175.189 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 71.8 mt-30 -56.78 -55.37 35.16 Favored 'General case' 0 N--CA 1.454 -0.231 0 N-CA-C 109.323 -0.621 . . . . 0.0 109.323 174.992 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -48.41 -44.75 35.26 Favored 'General case' 0 CA--C 1.534 0.355 0 C-N-CA 123.006 0.522 . . . . 0.0 111.66 178.778 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 5.5 pttt -45.28 -44.82 11.66 Favored 'General case' 0 CA--C 1.53 0.204 0 C-N-CA 123.435 0.694 . . . . 0.0 111.164 174.871 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 52' ' ' TYR . . . . . 0.441 ' HB3' ' CB ' ' A' ' 9' ' ' ALA . 40.0 m-85 -64.2 -34.81 78.94 Favored 'General case' 0 CA--C 1.514 -0.416 0 N-CA-C 112.832 0.678 . . . . 0.0 112.832 -179.028 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 53' ' ' TYR . . . . . . . . . . . . . 78.4 m-85 -74.19 -39.41 63.19 Favored 'General case' 0 N--CA 1.452 -0.361 0 N-CA-C 108.802 -0.814 . . . . 0.0 108.802 -177.999 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 42.4 mt-10 -54.76 -60.66 3.06 Favored 'General case' 0 CA--C 1.536 0.435 0 N-CA-C 109.416 -0.587 . . . . 0.0 109.416 169.62 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 5.6 mp -47.71 -50.86 23.93 Favored 'General case' 0 C--O 1.225 -0.208 0 C-N-CA 124.108 0.963 . . . . 0.0 113.399 175.405 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.531 0.236 0 N-CA-C 109.645 -0.502 . . . . 0.0 109.645 178.48 . . . . . . . . 0 0 . 1 . 006 nuclear build core ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 5.9 p30 . . . . . 0 N--CA 1.446 -0.673 0 CA-C-O 122.287 1.042 . . . . 0.0 111.825 . . . . . . . . . 0 0 . 1 . 006 nuclear build core ' A' A ' 9' ' ' ALA . . . . . 0.418 ' CB ' ' HB3' ' A' ' 52' ' ' TYR . . . -38.55 -62.9 0.55 Allowed 'General case' 0 N--CA 1.447 -0.58 0 C-N-CA 126.714 2.006 . . . . 0.0 113.408 179.644 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 10' ' ' PHE . . . . . . . . . . . . . 5.4 m-85 -71.34 -25.88 62.58 Favored 'General case' 0 N--CA 1.453 -0.284 0 O-C-N 121.456 -0.777 . . . . 0.0 111.155 -170.554 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 11' ' ' MET . . . . . . . . . . . . . 65.2 mmm -67.74 -41.3 83.6 Favored 'General case' 0 N--CA 1.454 -0.267 0 N-CA-C 108.755 -0.832 . . . . 0.0 108.755 177.231 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 59.7 mt -64.73 -44.43 90.19 Favored 'General case' 0 C--O 1.231 0.091 0 O-C-N 121.661 -0.649 . . . . 0.0 110.062 173.107 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 27.3 t80 -52.43 -46.04 66.22 Favored 'General case' 0 N--CA 1.462 0.174 0 N-CA-C 109.353 -0.61 . . . . 0.0 109.353 178.158 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 14' ' ' MET . . . . . . . . . . . . . 30.2 ttm -55.51 -63.96 1.0 Allowed 'General case' 0 N--CA 1.445 -0.723 0 CA-C-O 118.459 -0.781 . . . . 0.0 110.31 171.816 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 1.5 mtpm? -48.3 -42.1 30.02 Favored 'General case' 0 CA--C 1.534 0.342 0 CA-C-N 120.015 1.28 . . . . 0.0 112.191 -175.539 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 49.3 mt-10 -70.03 -66.75 0.55 Allowed 'General case' 0 CA--C 1.535 0.392 0 C-N-CA 123.169 0.588 . . . . 0.0 111.947 179.225 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 17' ' ' MET . . . . . . . . . . . . . 14.5 mtp -86.42 -23.83 25.92 Favored 'General case' 0 C--O 1.226 -0.171 0 N-CA-C 114.92 1.452 . . . . 0.0 114.92 -168.849 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 18' ' ' ARG . . . . . 0.426 ' HG2' ' CG2' ' A' ' 33' ' ' ILE . 7.6 tmm_? -55.45 -42.26 74.0 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-N 119.608 1.095 . . . . 0.0 111.362 -175.851 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -53.88 -46.68 71.4 Favored 'General case' 0 CA--C 1.533 0.324 0 O-C-N 122.026 -0.421 . . . . 0.0 110.634 172.045 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 20' ' ' ASN . . . . . . . . . . . . . 9.9 t30 -61.99 -47.36 85.18 Favored 'General case' 0 C--O 1.222 -0.389 0 N-CA-C 109.905 -0.406 . . . . 0.0 109.905 177.904 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 73.8 t -51.55 -53.55 15.89 Favored 'Isoleucine or valine' 0 N--CA 1.46 0.055 0 CA-C-N 118.856 0.753 . . . . 0.0 110.499 175.539 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 55.0 t -59.01 -37.28 66.75 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.369 0 C-N-CA 122.679 0.392 . . . . 0.0 110.412 -178.735 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -65.51 -47.55 75.58 Favored 'General case' 0 CA--C 1.539 0.523 0 O-C-N 121.806 -0.559 . . . . 0.0 112.367 173.528 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 85.3 mt-10 -67.82 -55.72 11.9 Favored 'General case' 0 CA--C 1.53 0.199 0 CA-C-O 121.415 0.626 . . . . 0.0 111.465 -176.166 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 53.5 p -86.98 176.61 7.56 Favored 'General case' 0 N--CA 1.449 -0.503 0 C-N-CA 124.56 1.144 . . . . 0.0 111.582 -168.881 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 4.3 p -82.75 -10.4 58.91 Favored 'General case' 0 N--CA 1.445 -0.676 0 C-N-CA 123.784 0.834 . . . . 0.0 110.716 169.552 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 4.1 mm? -80.91 157.19 25.68 Favored 'General case' 0 N--CA 1.446 -0.642 0 CA-C-O 122.213 1.006 . . . . 0.0 112.784 -171.036 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 2.0 mptp? -144.77 -33.75 0.37 Allowed 'General case' 0 N--CA 1.454 -0.267 0 CA-C-N 113.162 -1.835 . . . . 0.0 110.973 169.465 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 42.3 mt-10 -53.95 113.75 1.34 Allowed 'General case' 0 C--N 1.343 0.287 0 N-CA-C 108.287 -1.005 . . . . 0.0 108.287 -172.346 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 18.1 t -52.79 -46.28 67.54 Favored 'General case' 0 N--CA 1.45 -0.441 0 O-C-N 123.577 0.548 . . . . 0.0 110.966 -169.098 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -56.26 -38.53 71.28 Favored 'General case' 0 CA--C 1.533 0.32 0 O-C-N 121.088 -1.007 . . . . 0.0 113.588 179.731 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -72.97 -50.61 22.29 Favored 'General case' 0 CA--C 1.528 0.113 0 O-C-N 121.397 -0.814 . . . . 0.0 109.207 176.429 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 33' ' ' ILE . . . . . 0.426 ' CG2' ' HG2' ' A' ' 18' ' ' ARG . 8.5 mm -52.29 -35.07 19.13 Favored 'Isoleucine or valine' 0 CA--C 1.543 0.692 0 C-N-CA 125.36 1.464 . . . . 0.0 112.078 178.541 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 81.9 m-20 -75.94 -33.6 59.83 Favored 'General case' 0 C--N 1.332 -0.177 0 C-N-CA 124.445 1.098 . . . . 0.0 110.123 -178.86 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 40.7 mt-30 -69.15 -40.71 78.03 Favored 'General case' 0 CA--C 1.532 0.272 0 O-C-N 121.898 -0.501 . . . . 0.0 109.986 169.793 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 17.5 mt -50.88 -53.42 13.89 Favored 'Isoleucine or valine' 0 C--N 1.342 0.26 0 N-CA-C 108.892 -0.781 . . . . 0.0 108.892 169.964 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 14.2 mt -57.45 -44.13 84.51 Favored 'General case' 0 CA--C 1.535 0.375 0 O-C-N 121.408 -0.807 . . . . 0.0 111.187 177.3 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -46.57 -48.44 17.05 Favored Glycine 0 CA--C 1.532 1.119 0 N-CA-C 111.535 -0.626 . . . . 0.0 111.535 172.172 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 3.7 tmm_? -62.88 -58.96 5.58 Favored 'General case' 0 N--CA 1.446 -0.669 0 O-C-N 121.945 -0.738 . . . . 0.0 110.912 173.371 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 19.5 mtp180 -58.64 -28.95 66.15 Favored 'General case' 0 N--CA 1.461 0.077 0 C-N-CA 123.678 0.791 . . . . 0.0 112.2 -168.923 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 41' ' ' TRP . . . . . . . . . . . . . 63.8 t-105 -41.97 -42.82 2.92 Favored 'General case' 0 N--CA 1.451 -0.384 0 C-N-CA 123.265 0.626 . . . . 0.0 112.222 169.682 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 42' ' ' HIS . . . . . . . . . . . . . 73.4 m80 -59.16 -20.92 58.0 Favored 'General case' 0 CA--C 1.533 0.327 0 C-N-CA 124.083 0.953 . . . . 0.0 112.817 -176.358 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -79.12 -18.76 52.64 Favored 'General case' 0 CA--C 1.533 0.293 0 CA-C-N 118.247 0.476 . . . . 0.0 111.62 177.227 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 34.2 mt -67.15 125.95 27.66 Favored 'General case' 0 N--CA 1.454 -0.254 0 CA-C-N 118.725 0.693 . . . . 0.0 110.022 178.926 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 79.6 p -57.69 159.84 4.89 Favored 'General case' 0 CA--C 1.531 0.24 0 N-CA-C 109.4 -0.593 . . . . 0.0 109.4 169.203 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 4.1 mmp_? -49.13 -38.86 26.44 Favored 'General case' 0 CA--C 1.531 0.246 0 O-C-N 122.019 -0.425 . . . . 0.0 111.589 175.695 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 51.7 mp0 -67.57 -50.7 57.2 Favored 'General case' 0 N--CA 1.45 -0.428 0 C-N-CA 123.652 0.781 . . . . 0.0 110.821 178.717 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 33.7 mt-10 -55.67 -43.64 76.52 Favored 'General case' 0 C--O 1.226 -0.174 0 O-C-N 122.268 -0.27 . . . . 0.0 110.607 175.602 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 69.6 mt-30 -57.05 -58.94 5.96 Favored 'General case' 0 N--CA 1.454 -0.25 0 N-CA-C 109.088 -0.708 . . . . 0.0 109.088 174.567 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -47.32 -43.01 22.4 Favored 'General case' 0 C--O 1.235 0.297 0 C-N-CA 123.8 0.84 . . . . 0.0 112.111 -178.91 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -46.54 -42.17 15.37 Favored 'General case' 0 CA--C 1.533 0.289 0 C-N-CA 122.904 0.482 . . . . 0.0 111.276 176.974 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 52' ' ' TYR . . . . . 0.418 ' HB3' ' CB ' ' A' ' 9' ' ' ALA . 44.1 m-85 -63.66 -35.49 80.7 Favored 'General case' 0 N--CA 1.453 -0.306 0 N-CA-C 112.949 0.722 . . . . 0.0 112.949 -179.217 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 53' ' ' TYR . . . . . . . . . . . . . 40.1 m-85 -71.46 -40.0 70.58 Favored 'General case' 0 N--CA 1.452 -0.338 0 N-CA-C 107.547 -1.279 . . . . 0.0 107.547 -176.488 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 79.3 mm-40 -57.61 -60.97 2.86 Favored 'General case' 0 CA--C 1.533 0.299 0 N-CA-C 109.905 -0.406 . . . . 0.0 109.905 169.536 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 6.1 mp -45.48 -50.16 12.95 Favored 'General case' 0 C--O 1.224 -0.257 0 C-N-CA 124.401 1.08 . . . . 0.0 113.38 177.211 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.536 0.41 0 CA-C-O 121.227 0.537 . . . . 0.0 109.852 177.504 . . . . . . . . 0 0 . 1 . 007 nuclear build core ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 5.7 p30 . . . . . 0 N--CA 1.446 -0.66 0 CA-C-O 122.089 0.947 . . . . 0.0 112.023 . . . . . . . . . 0 0 . 1 . 007 nuclear build core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -38.89 -63.34 0.53 Allowed 'General case' 0 N--CA 1.449 -0.484 0 C-N-CA 126.956 2.102 . . . . 0.0 113.712 178.57 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 10' ' ' PHE . . . . . . . . . . . . . 5.3 m-85 -71.69 -22.6 61.63 Favored 'General case' 0 N--CA 1.451 -0.378 0 O-C-N 121.361 -0.837 . . . . 0.0 111.538 -169.651 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 11' ' ' MET . . . . . . . . . . . . . 54.5 mmm -66.55 -45.23 80.06 Favored 'General case' 0 N--CA 1.455 -0.195 0 N-CA-C 108.44 -0.948 . . . . 0.0 108.44 176.693 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 11.0 mt -61.43 -47.23 86.68 Favored 'General case' 0 CA--C 1.531 0.212 0 N-CA-C 109.382 -0.599 . . . . 0.0 109.382 174.859 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 45.5 t80 -52.4 -49.42 64.51 Favored 'General case' 0 N--CA 1.467 0.4 0 N-CA-C 109.939 -0.393 . . . . 0.0 109.939 179.871 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 14' ' ' MET . . . . . . . . . . . . . 18.4 ttm -53.16 -60.53 3.17 Favored 'General case' 0 N--CA 1.445 -0.695 0 C-N-CA 123.895 0.878 . . . . 0.0 109.935 172.553 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 35.8 mttm -47.57 -44.75 26.46 Favored 'General case' 0 CA--C 1.535 0.379 0 CA-C-N 119.514 1.052 . . . . 0.0 112.036 -178.199 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 45.1 mt-10 -69.48 -68.93 0.37 Allowed 'General case' 0 CA--C 1.537 0.444 0 C-N-CA 122.716 0.406 . . . . 0.0 111.986 179.893 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 17' ' ' MET . . . . . . . . . . . . . 10.0 mtp -79.96 -22.27 42.8 Favored 'General case' 0 N--CA 1.457 -0.087 0 N-CA-C 114.558 1.318 . . . . 0.0 114.558 -169.251 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 24.2 ttp85 -58.87 -39.45 81.39 Favored 'General case' 0 N--CA 1.452 -0.333 0 CA-C-N 119.41 1.005 . . . . 0.0 111.566 -175.303 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -53.35 -46.95 69.73 Favored 'General case' 0 CA--C 1.53 0.189 0 O-C-N 121.754 -0.591 . . . . 0.0 110.205 173.897 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 20' ' ' ASN . . . . . . . . . . . . . 10.2 t30 -59.65 -52.96 63.3 Favored 'General case' 0 C--O 1.222 -0.385 0 CA-C-O 119.047 -0.501 . . . . 0.0 109.756 175.56 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 52.1 t -47.36 -54.5 2.89 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.254 0 CA-C-N 118.848 0.749 . . . . 0.0 111.114 177.08 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 55.6 t -62.43 -36.36 74.42 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.445 0 C-N-CA 123.447 0.699 . . . . 0.0 110.156 -176.314 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -65.31 -47.24 77.28 Favored 'General case' 0 CA--C 1.537 0.464 0 O-C-N 121.863 -0.523 . . . . 0.0 112.33 172.93 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 19.7 mt-10 -69.24 -53.49 19.59 Favored 'General case' 0 CA--C 1.53 0.191 0 O-C-N 121.921 -0.487 . . . . 0.0 111.143 -176.117 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 54.6 p -83.22 172.36 12.68 Favored 'General case' 0 N--CA 1.451 -0.4 0 C-N-CA 124.059 0.944 . . . . 0.0 110.366 -172.098 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 4.2 p -81.89 -12.59 58.36 Favored 'General case' 0 N--CA 1.45 -0.446 0 C-N-CA 123.424 0.69 . . . . 0.0 111.265 170.322 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -86.06 159.89 19.45 Favored 'General case' 0 N--CA 1.45 -0.473 0 CA-C-O 122.134 0.969 . . . . 0.0 113.287 -169.44 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 1.5 mptp? -141.7 -39.47 0.38 Allowed 'General case' 0 CA--C 1.531 0.222 0 C-N-CA 125.957 1.703 . . . . 0.0 109.971 174.991 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 3.0 mp0 -39.37 106.63 0.06 Allowed 'General case' 0 C--O 1.238 0.482 0 C-N-CA 126.963 2.105 . . . . 0.0 110.911 -179.402 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 24.3 t -76.76 73.88 3.41 Favored 'General case' 0 N--CA 1.452 -0.356 0 CA-C-O 121.744 0.783 . . . . 0.0 109.096 -173.782 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -168.92 -50.44 0.02 OUTLIER 'General case' 0 C--N 1.327 -0.391 0 N-CA-C 105.654 -1.98 . . . . 0.0 105.654 170.119 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -63.08 -47.58 82.3 Favored 'General case' 0 N--CA 1.453 -0.315 0 N-CA-C 107.58 -1.267 . . . . 0.0 107.58 168.115 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 33' ' ' ILE . . . . . . . . . . . . . 8.0 mm -57.31 -39.36 67.36 Favored 'Isoleucine or valine' 0 CA--C 1.538 0.49 0 C-N-CA 123.455 0.702 . . . . 0.0 111.609 174.216 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 81.4 m-20 -71.46 -35.58 70.92 Favored 'General case' 0 N--CA 1.463 0.182 0 O-C-N 121.202 -0.936 . . . . 0.0 110.882 -178.963 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 32.1 mt-30 -65.04 -41.5 95.14 Favored 'General case' 0 CA--C 1.534 0.364 0 O-C-N 121.686 -0.634 . . . . 0.0 111.066 169.75 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 16.1 mt -50.2 -53.84 10.31 Favored 'Isoleucine or valine' 0 C--N 1.343 0.29 0 N-CA-C 109.121 -0.696 . . . . 0.0 109.121 170.799 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 17.1 mt -56.38 -45.71 80.41 Favored 'General case' 0 CA--C 1.535 0.385 0 CA-C-N 118.678 0.672 . . . . 0.0 111.375 176.515 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -46.0 -48.74 14.17 Favored Glycine 0 CA--C 1.53 1.022 0 N-CA-C 111.552 -0.619 . . . . 0.0 111.552 174.19 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -63.26 -60.9 2.79 Favored 'General case' 0 N--CA 1.448 -0.559 0 C-N-CA 123.349 0.659 . . . . 0.0 110.762 173.326 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 83.8 mtt180 -56.24 -30.91 63.01 Favored 'General case' 0 N--CA 1.462 0.138 0 C-N-CA 124.02 0.928 . . . . 0.0 112.59 -169.454 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 41' ' ' TRP . . . . . . . . . . . . . 59.5 t-105 -39.69 -43.63 1.41 Allowed 'General case' 0 N--CA 1.453 -0.307 0 C-N-CA 123.444 0.698 . . . . 0.0 112.391 171.176 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 42' ' ' HIS . . . . . . . . . . . . . 75.9 m80 -59.77 -18.44 43.32 Favored 'General case' 0 CA--C 1.533 0.298 0 N-CA-C 113.056 0.762 . . . . 0.0 113.056 -174.422 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -79.15 -18.8 52.48 Favored 'General case' 0 CA--C 1.535 0.374 0 C-N-CA 123.008 0.523 . . . . 0.0 111.909 176.5 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 26.3 mt -63.82 130.7 45.24 Favored 'General case' 0 C--O 1.233 0.216 0 CA-C-N 119.023 0.829 . . . . 0.0 110.123 177.881 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 83.6 p -59.19 156.91 11.39 Favored 'General case' 0 CA--C 1.529 0.146 0 N-CA-C 108.875 -0.787 . . . . 0.0 108.875 169.507 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 4.2 mmp_? -53.32 -32.22 47.93 Favored 'General case' 0 CA--C 1.535 0.369 0 O-C-N 121.581 -0.7 . . . . 0.0 111.556 177.195 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 46.8 mp0 -69.93 -50.38 42.65 Favored 'General case' 0 N--CA 1.453 -0.285 0 C-N-CA 123.672 0.789 . . . . 0.0 110.648 176.626 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 42.0 mt-10 -55.39 -44.55 76.21 Favored 'General case' 0 CA--C 1.529 0.17 0 O-C-N 122.17 -0.331 . . . . 0.0 110.359 175.024 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 75.2 mt-30 -55.33 -59.59 4.58 Favored 'General case' 0 N--CA 1.452 -0.333 0 N-CA-C 108.976 -0.75 . . . . 0.0 108.976 173.902 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -45.77 -44.5 13.97 Favored 'General case' 0 CA--C 1.533 0.323 0 C-N-CA 123.895 0.878 . . . . 0.0 112.193 -179.253 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 6.6 pttt -44.46 -43.21 7.64 Favored 'General case' 0 CA--C 1.531 0.239 0 C-N-CA 123.173 0.589 . . . . 0.0 111.354 176.594 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 52' ' ' TYR . . . . . . . . . . . . . 49.2 m-85 -66.12 -36.5 83.33 Favored 'General case' 0 N--CA 1.452 -0.367 0 N-CA-C 112.94 0.719 . . . . 0.0 112.94 -178.062 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 53' ' ' TYR . . . . . . . . . . . . . 36.7 m-85 -69.28 -42.46 75.46 Favored 'General case' 0 N--CA 1.453 -0.305 0 N-CA-C 107.153 -1.425 . . . . 0.0 107.153 -178.349 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 42.8 mt-10 -54.15 -58.39 7.55 Favored 'General case' 0 CA--C 1.535 0.366 0 CA-C-N 116.147 -0.479 . . . . 0.0 109.805 169.837 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 1.3 mt -51.8 -57.93 7.91 Favored 'General case' 0 N--CA 1.464 0.225 0 C-N-CA 123.643 0.777 . . . . 0.0 111.194 -177.861 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.453 -0.324 0 C-N-CA 124.223 1.009 . . . . 0.0 109.852 175.797 . . . . . . . . 0 0 . 1 . 008 nuclear build core ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 91.0 m-20 . . . . . 0 N--CA 1.443 -0.797 0 CA-C-O 121.988 0.899 . . . . 0.0 110.51 . . . . . . . . . 0 0 . 1 . 008 nuclear build core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -37.94 -66.17 0.28 Allowed 'General case' 0 N--CA 1.452 -0.352 0 C-N-CA 125.6 1.56 . . . . 0.0 115.045 -168.222 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 10' ' ' PHE . . . . . . . . . . . . . 4.3 m-85 -67.18 -19.29 65.55 Favored 'General case' 0 N--CA 1.453 -0.292 0 O-C-N 121.355 -0.841 . . . . 0.0 112.356 -169.693 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 11' ' ' MET . . . . . . . . . . . . . 48.2 mmm -69.6 -33.92 73.36 Favored 'General case' 0 N--CA 1.455 -0.22 0 CA-C-N 118.716 0.689 . . . . 0.0 109.325 177.814 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 65.5 mt -76.48 -41.81 45.79 Favored 'General case' 0 CA--C 1.515 -0.378 0 N-CA-C 109.462 -0.57 . . . . 0.0 109.462 174.476 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 29.6 t80 -53.1 -47.82 68.28 Favored 'General case' 0 C--N 1.339 0.109 0 N-CA-C 109.086 -0.709 . . . . 0.0 109.086 177.06 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 14' ' ' MET . . . . . . . . . . . . . 28.6 ttm -53.55 -66.04 0.46 Allowed 'General case' 0 N--CA 1.444 -0.736 0 C-N-CA 124.282 1.033 . . . . 0.0 110.237 170.202 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 14.0 mmtt -43.55 -44.29 6.03 Favored 'General case' 0 CA--C 1.537 0.453 0 CA-C-N 119.484 1.038 . . . . 0.0 112.516 -176.695 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 48.0 mt-10 -71.18 -65.21 0.77 Allowed 'General case' 0 CA--C 1.536 0.424 0 C-N-CA 123.507 0.723 . . . . 0.0 111.97 179.252 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 17' ' ' MET . . . . . . . . . . . . . 12.3 mtp -81.44 -28.95 33.98 Favored 'General case' 0 C--O 1.227 -0.083 0 N-CA-C 114.489 1.292 . . . . 0.0 114.489 -168.984 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 7.7 tmm_? -55.31 -41.43 72.36 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 121.476 -0.765 . . . . 0.0 112.23 -169.424 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -55.42 -46.11 76.7 Favored 'General case' 0 CA--C 1.534 0.35 0 O-C-N 121.425 -0.797 . . . . 0.0 111.176 172.215 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 20' ' ' ASN . . . . . . . . . . . . . 7.7 t30 -63.3 -46.22 87.76 Favored 'General case' 0 N--CA 1.453 -0.296 0 N-CA-C 109.573 -0.528 . . . . 0.0 109.573 178.27 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 64.3 t -51.69 -54.4 12.82 Favored 'Isoleucine or valine' 0 CA--C 1.521 -0.155 0 CA-C-N 118.168 0.44 . . . . 0.0 110.404 175.031 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 41.7 t -52.99 -50.22 45.61 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.374 0 N-CA-C 108.718 -0.845 . . . . 0.0 108.718 -178.203 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -54.4 -51.88 63.47 Favored 'General case' 0 CA--C 1.538 0.492 0 N-CA-C 112.265 0.468 . . . . 0.0 112.265 176.019 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 50.8 mt-10 -63.13 -57.53 10.27 Favored 'General case' 0 CA--C 1.533 0.312 0 CA-C-O 121.626 0.727 . . . . 0.0 112.179 -177.311 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 85.9 p -79.59 -22.11 44.15 Favored 'General case' 0 CA--C 1.514 -0.423 0 N-CA-C 115.718 1.747 . . . . 0.0 115.718 -167.609 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 17.6 p 64.11 7.47 3.44 Favored 'General case' 0 C--N 1.319 -0.736 0 C-N-CA 126.753 2.021 . . . . 0.0 112.42 -169.039 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -78.5 161.85 26.77 Favored 'General case' 0 CA--C 1.516 -0.328 0 CA-C-N 119.01 0.823 . . . . 0.0 109.473 169.242 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 1.1 mptp? -136.58 -43.64 0.6 Allowed 'General case' 0 N--CA 1.449 -0.521 0 CA-C-N 115.093 -0.958 . . . . 0.0 109.782 174.717 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 2.7 mp0 -38.88 103.13 0.03 OUTLIER 'General case' 0 C--O 1.236 0.348 0 C-N-CA 127.203 2.201 . . . . 0.0 109.229 -174.83 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 8.0 t -53.77 -37.0 62.99 Favored 'General case' 0 N--CA 1.447 -0.624 0 N-CA-C 113.89 1.07 . . . . 0.0 113.89 -167.623 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -64.81 -37.43 87.6 Favored 'General case' 0 CA--C 1.535 0.391 0 CA-C-N 119.682 1.128 . . . . 0.0 112.362 178.109 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -68.47 -49.29 60.87 Favored 'General case' 0 CA--C 1.527 0.089 0 CA-C-O 122.196 0.998 . . . . 0.0 108.832 175.642 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 33' ' ' ILE . . . . . . . . . . . . . 7.5 mm -58.22 -37.37 62.29 Favored 'Isoleucine or valine' 0 CA--C 1.545 0.786 0 C-N-CA 124.885 1.274 . . . . 0.0 111.553 -179.612 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 3.8 m-80 -58.96 -46.96 86.77 Favored 'General case' 0 N--CA 1.462 0.157 0 C-N-CA 124.134 0.974 . . . . 0.0 111.195 170.737 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 38.1 mt-30 -64.51 -40.37 95.51 Favored 'General case' 0 CA--C 1.533 0.294 0 O-C-N 121.81 -0.556 . . . . 0.0 110.932 177.605 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 19.7 mt -51.12 -54.81 9.45 Favored 'Isoleucine or valine' 0 C--N 1.34 0.194 0 N-CA-C 109.57 -0.53 . . . . 0.0 109.57 170.207 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 15.2 mt -55.75 -42.9 76.11 Favored 'General case' 0 CA--C 1.535 0.396 0 CA-C-N 118.577 0.626 . . . . 0.0 111.087 177.712 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -47.24 -52.28 13.4 Favored Glycine 0 CA--C 1.529 0.911 0 N-CA-C 111.077 -0.809 . . . . 0.0 111.077 172.096 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -60.51 -56.68 18.44 Favored 'General case' 0 N--CA 1.447 -0.62 0 O-C-N 121.779 -0.836 . . . . 0.0 110.972 174.434 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 61.4 mtt180 -58.56 -32.05 68.55 Favored 'General case' 0 CA--C 1.52 -0.175 0 O-C-N 121.832 -0.543 . . . . 0.0 111.89 -169.086 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 41' ' ' TRP . . . . . . . . . . . . . 63.0 t-105 -45.19 -40.13 6.94 Favored 'General case' 0 N--CA 1.451 -0.375 0 N-CA-C 112.457 0.54 . . . . 0.0 112.457 171.857 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 42' ' ' HIS . . . . . . . . . . . . . 64.7 m80 -59.85 -18.94 48.11 Favored 'General case' 0 CA--C 1.532 0.274 0 C-N-CA 123.481 0.712 . . . . 0.0 112.648 -177.009 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -79.33 -19.68 49.71 Favored 'General case' 0 CA--C 1.535 0.389 0 C-N-CA 123.018 0.527 . . . . 0.0 111.898 176.054 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 16.3 mt -70.0 127.12 31.76 Favored 'General case' 0 N--CA 1.455 -0.216 0 CA-C-N 118.91 0.777 . . . . 0.0 110.906 -177.873 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 79.4 p -58.15 155.09 11.79 Favored 'General case' 0 CA--C 1.533 0.291 0 N-CA-C 108.255 -1.017 . . . . 0.0 108.255 168.486 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -55.57 -27.04 46.84 Favored 'General case' 0 CA--C 1.538 0.493 0 CA-C-N 119.279 0.945 . . . . 0.0 111.32 178.886 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 39.6 mp0 -68.94 -52.62 27.26 Favored 'General case' 0 CA--C 1.532 0.268 0 C-N-CA 123.65 0.78 . . . . 0.0 110.801 174.397 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 27.3 mt-10 -53.83 -42.84 68.91 Favored 'General case' 0 C--O 1.224 -0.24 0 O-C-N 122.194 -0.316 . . . . 0.0 110.391 173.787 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 75.0 mt-30 -58.08 -58.9 6.39 Favored 'General case' 0 N--CA 1.451 -0.42 0 N-CA-C 109.359 -0.608 . . . . 0.0 109.359 174.287 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -44.6 -43.68 8.34 Favored 'General case' 0 C--O 1.234 0.263 0 C-N-CA 125.148 1.379 . . . . 0.0 112.303 -177.767 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 4.0 pttp -47.9 -41.06 23.53 Favored 'General case' 0 CA--C 1.535 0.397 0 CA-C-N 117.668 0.213 . . . . 0.0 111.549 178.228 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 52' ' ' TYR . . . . . . . . . . . . . 57.2 m-85 -61.79 -35.76 79.11 Favored 'General case' 0 N--CA 1.453 -0.297 0 O-C-N 121.49 -0.756 . . . . 0.0 112.803 -179.886 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 53' ' ' TYR . . . . . . . . . . . . . 35.3 m-85 -72.59 -33.07 66.46 Favored 'General case' 0 N--CA 1.452 -0.346 0 N-CA-C 108.064 -1.087 . . . . 0.0 108.064 -175.204 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 41.7 mt-10 -65.9 -62.46 1.48 Allowed 'General case' 0 CA--C 1.534 0.336 0 C-N-CA 123.289 0.636 . . . . 0.0 109.507 169.714 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 5.8 mp -43.01 -51.98 5.45 Favored 'General case' 0 N--CA 1.464 0.241 0 C-N-CA 124.717 1.207 . . . . 0.0 112.568 177.11 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.538 0.499 0 C-N-CA 123.494 0.717 . . . . 0.0 110.061 176.636 . . . . . . . . 0 0 . 1 . 009 nuclear build core ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 12.3 p-10 . . . . . 0 N--CA 1.449 -0.485 0 CA-C-O 121.873 0.844 . . . . 0.0 111.251 . . . . . . . . . 0 0 . 1 . 009 nuclear build core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -38.72 -69.09 0.13 Allowed 'General case' 0 N--CA 1.454 -0.239 0 C-N-CA 125.977 1.711 . . . . 0.0 113.946 -169.0 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 10' ' ' PHE . . . . . . . . . . . . . 4.3 m-85 -68.52 -20.49 64.57 Favored 'General case' 0 N--CA 1.452 -0.357 0 O-C-N 121.699 -0.626 . . . . 0.0 111.489 -170.436 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 11' ' ' MET . . . . . . . . . . . . . 78.0 mmm -75.49 -38.47 59.49 Favored 'General case' 0 N--CA 1.45 -0.447 0 N-CA-C 108.953 -0.758 . . . . 0.0 108.953 178.69 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 65.7 mt -63.91 -44.99 91.27 Favored 'General case' 0 N--CA 1.461 0.101 0 O-C-N 121.655 -0.653 . . . . 0.0 109.288 169.831 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 20.4 t80 -54.24 -46.54 72.59 Favored 'General case' 0 CA--C 1.529 0.145 0 N-CA-C 109.586 -0.524 . . . . 0.0 109.586 178.614 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 14' ' ' MET . . . . . . . . . . . . . 32.0 ttm -53.45 -62.51 1.61 Allowed 'General case' 0 N--CA 1.45 -0.454 0 C-N-CA 123.407 0.683 . . . . 0.0 110.119 170.723 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 18.9 mttt -46.37 -43.96 16.6 Favored 'General case' 0 CA--C 1.536 0.416 0 CA-C-N 118.804 0.729 . . . . 0.0 111.976 -176.852 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 47.2 mt-10 -71.0 -66.19 0.64 Allowed 'General case' 0 CA--C 1.537 0.457 0 C-N-CA 123.132 0.573 . . . . 0.0 111.882 178.71 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 17' ' ' MET . . . . . . . . . . . . . 9.2 mtp -81.42 -29.26 33.95 Favored 'General case' 0 C--O 1.227 -0.102 0 N-CA-C 114.635 1.346 . . . . 0.0 114.635 -169.002 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 7.2 tmm_? -55.33 -43.85 75.33 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 119.338 0.972 . . . . 0.0 111.114 -173.636 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -52.77 -47.88 67.2 Favored 'General case' 0 CA--C 1.533 0.319 0 O-C-N 121.99 -0.444 . . . . 0.0 110.762 172.685 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 20' ' ' ASN . . . . . . . . . . . . . 3.1 t30 -60.56 -50.43 73.56 Favored 'General case' 0 C--O 1.223 -0.306 0 N-CA-C 109.657 -0.498 . . . . 0.0 109.657 177.066 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 78.5 t -50.46 -51.25 19.32 Favored 'Isoleucine or valine' 0 N--CA 1.46 0.066 0 CA-C-N 118.893 0.77 . . . . 0.0 110.438 178.053 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 49.9 t -61.27 -37.18 76.99 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.374 0 C-N-CA 122.699 0.4 . . . . 0.0 110.038 -178.275 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -66.11 -46.3 78.08 Favored 'General case' 0 CA--C 1.538 0.482 0 O-C-N 121.762 -0.586 . . . . 0.0 112.306 173.908 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 28.9 mt-10 -69.97 -53.44 17.76 Favored 'General case' 0 CA--C 1.53 0.193 0 C-N-CA 123.085 0.554 . . . . 0.0 111.272 -175.662 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 53.3 p -84.2 175.86 9.16 Favored 'General case' 0 N--CA 1.451 -0.394 0 C-N-CA 124.005 0.922 . . . . 0.0 110.649 -169.867 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 4.3 p -83.39 -9.35 59.09 Favored 'General case' 0 N--CA 1.447 -0.585 0 C-N-CA 123.621 0.768 . . . . 0.0 111.24 169.9 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -90.55 155.7 18.69 Favored 'General case' 0 N--CA 1.448 -0.556 0 CA-C-O 122.264 1.03 . . . . 0.0 112.863 -169.694 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 7.9 mptt -137.64 -41.83 0.55 Allowed 'General case' 0 N--CA 1.45 -0.468 0 CA-C-N 113.573 -1.648 . . . . 0.0 109.081 173.729 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 2.9 mp0 -39.07 107.13 0.06 Allowed 'General case' 0 C--O 1.236 0.382 0 C-N-CA 127.257 2.223 . . . . 0.0 110.215 -177.888 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 12.1 t -54.49 -47.59 72.85 Favored 'General case' 0 N--CA 1.448 -0.56 0 CA-C-O 119.014 -0.517 . . . . 0.0 112.227 -168.583 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -55.86 -40.35 72.77 Favored 'General case' 0 CA--C 1.535 0.384 0 CA-C-N 120.192 1.36 . . . . 0.0 112.922 -178.278 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -70.17 -51.03 34.43 Favored 'General case' 0 CA--C 1.53 0.192 0 CA-C-O 121.708 0.765 . . . . 0.0 109.746 176.462 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 33' ' ' ILE . . . . . . . . . . . . . 6.8 mm -52.86 -37.63 26.22 Favored 'Isoleucine or valine' 0 CA--C 1.545 0.783 0 C-N-CA 124.582 1.153 . . . . 0.0 111.833 178.702 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 80.5 m-20 -71.39 -36.96 71.57 Favored 'General case' 0 C--N 1.328 -0.34 0 O-C-N 120.551 -1.343 . . . . 0.0 109.713 -179.039 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 38.5 mt-30 -65.38 -37.22 86.34 Favored 'General case' 0 CA--C 1.533 0.322 0 O-C-N 121.797 -0.564 . . . . 0.0 110.036 169.594 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 18.3 mt -54.84 -48.6 73.74 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.316 0 CA-C-N 119.089 0.858 . . . . 0.0 110.39 169.927 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 4.2 mm? -54.54 -50.1 68.71 Favored 'General case' 0 CA--C 1.538 0.505 0 CA-C-N 120.008 1.277 . . . . 0.0 109.584 173.607 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -47.61 -48.18 23.01 Favored Glycine 0 CA--C 1.533 1.157 0 C-N-CA 123.483 0.564 . . . . 0.0 112.296 176.994 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -61.83 -63.84 1.13 Allowed 'General case' 0 N--CA 1.448 -0.543 0 C-N-CA 123.803 0.841 . . . . 0.0 109.998 175.074 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 83.0 mtt180 -55.52 -30.36 60.56 Favored 'General case' 0 C--O 1.231 0.094 0 C-N-CA 123.971 0.908 . . . . 0.0 112.084 -169.616 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 41' ' ' TRP . . . . . . . . . . . . . 60.6 t-105 -40.67 -43.53 1.96 Allowed 'General case' 0 N--CA 1.454 -0.255 0 C-N-CA 123.295 0.638 . . . . 0.0 112.476 171.267 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 42' ' ' HIS . . . . . . . . . . . . . 73.9 m80 -59.53 -20.75 57.8 Favored 'General case' 0 CA--C 1.533 0.303 0 N-CA-C 112.841 0.682 . . . . 0.0 112.841 -174.952 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -79.29 -18.26 53.01 Favored 'General case' 0 CA--C 1.534 0.349 0 C-N-CA 122.998 0.519 . . . . 0.0 111.953 177.073 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 28.4 mt -66.28 125.81 26.76 Favored 'General case' 0 CA--C 1.532 0.287 0 CA-C-N 118.882 0.765 . . . . 0.0 110.295 -179.363 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 80.0 p -56.65 160.79 3.1 Favored 'General case' 0 CA--C 1.531 0.232 0 N-CA-C 109.993 -0.373 . . . . 0.0 109.993 169.464 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 59.7 ttp180 -44.11 -46.12 8.48 Favored 'General case' 0 CA--C 1.535 0.369 0 C-N-CA 123.589 0.756 . . . . 0.0 111.027 172.822 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 48.8 mp0 -67.27 -49.57 63.8 Favored 'General case' 0 N--CA 1.452 -0.361 0 C-N-CA 123.616 0.767 . . . . 0.0 111.095 -178.761 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 33.9 mt-10 -55.36 -43.21 74.87 Favored 'General case' 0 C--O 1.224 -0.283 0 O-C-N 122.265 -0.272 . . . . 0.0 110.623 176.079 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 72.3 mt-30 -58.49 -58.88 6.57 Favored 'General case' 0 N--CA 1.455 -0.225 0 N-CA-C 109.1 -0.704 . . . . 0.0 109.1 174.219 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -45.61 -43.76 12.52 Favored 'General case' 0 C--O 1.235 0.327 0 C-N-CA 124.268 1.027 . . . . 0.0 112.325 -178.366 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 1.7 pttp -47.64 -40.91 20.89 Favored 'General case' 0 CA--C 1.533 0.31 0 C-N-CA 122.644 0.378 . . . . 0.0 111.437 178.018 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 52' ' ' TYR . . . . . . . . . . . . . 48.4 m-85 -65.31 -33.26 75.56 Favored 'General case' 0 N--CA 1.453 -0.307 0 N-CA-C 113.013 0.746 . . . . 0.0 113.013 -179.445 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 53' ' ' TYR . . . . . . . . . . . . . 40.7 m-85 -73.51 -42.78 61.36 Favored 'General case' 0 N--CA 1.45 -0.443 0 N-CA-C 107.277 -1.379 . . . . 0.0 107.277 -177.343 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 42.8 mt-10 -53.95 -61.53 2.24 Favored 'General case' 0 CA--C 1.535 0.373 0 CA-C-N 116.15 -0.477 . . . . 0.0 109.985 170.031 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 5.1 mp -48.58 -51.07 29.7 Favored 'General case' 0 C--O 1.224 -0.237 0 C-N-CA 124.247 1.019 . . . . 0.0 113.294 176.559 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.533 0.303 0 CA-C-N 118.542 0.61 . . . . 0.0 109.824 177.914 . . . . . . . . 0 0 . 1 . 010 nuclear build core ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 5.5 p30 . . . . . 0 N--CA 1.446 -0.659 0 CA-C-O 122.284 1.04 . . . . 0.0 111.521 . . . . . . . . . 0 0 . 1 . 010 nuclear build core ' A' A ' 9' ' ' ALA . . . . . 0.424 ' CB ' ' HB3' ' A' ' 52' ' ' TYR . . . -38.79 -62.33 0.63 Allowed 'General case' 0 N--CA 1.448 -0.564 0 C-N-CA 127.028 2.131 . . . . 0.0 113.986 -179.565 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 10' ' ' PHE . . . . . . . . . . . . . 5.4 m-85 -69.22 -25.41 64.29 Favored 'General case' 0 N--CA 1.455 -0.195 0 O-C-N 121.337 -0.852 . . . . 0.0 111.567 -169.278 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 11' ' ' MET . . . . . . . . . . . . . 60.6 mmm -65.83 -36.52 83.7 Favored 'General case' 0 CA--C 1.532 0.268 0 N-CA-C 109.134 -0.691 . . . . 0.0 109.134 177.612 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 57.4 mt -72.48 -43.77 63.23 Favored 'General case' 0 CA--C 1.521 -0.158 0 O-C-N 121.851 -0.531 . . . . 0.0 109.902 174.523 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 19.4 t80 -53.94 -47.28 71.43 Favored 'General case' 0 C--N 1.34 0.195 0 N-CA-C 109.3 -0.63 . . . . 0.0 109.3 178.861 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 14' ' ' MET . . . . . . . . . . . . . 16.1 ttm -54.13 -63.02 1.28 Allowed 'General case' 0 N--CA 1.444 -0.726 0 C-N-CA 124.124 0.97 . . . . 0.0 110.313 170.041 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 15.7 mmtt -43.93 -43.64 6.61 Favored 'General case' 0 CA--C 1.537 0.469 0 CA-C-N 120.2 1.364 . . . . 0.0 112.453 -178.029 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 45.7 mt-10 -71.31 -64.57 0.89 Allowed 'General case' 0 CA--C 1.538 0.505 0 C-N-CA 123.074 0.549 . . . . 0.0 112.106 178.496 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 17' ' ' MET . . . . . . . . . . . . . 4.1 mtp -79.87 -31.84 40.4 Favored 'General case' 0 C--O 1.224 -0.279 0 N-CA-C 114.074 1.138 . . . . 0.0 114.074 -169.057 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 7.4 tmm_? -56.63 -44.36 81.15 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 121.445 -0.784 . . . . 0.0 111.704 -170.051 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -53.53 -46.67 70.22 Favored 'General case' 0 CA--C 1.532 0.26 0 O-C-N 121.819 -0.551 . . . . 0.0 110.395 172.887 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 20' ' ' ASN . . . . . . . . . . . . . 47.8 t30 -59.15 -53.74 54.88 Favored 'General case' 0 C--O 1.221 -0.416 0 N-CA-C 109.235 -0.654 . . . . 0.0 109.235 176.961 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 71.9 t -47.22 -51.41 6.06 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.315 0 CA-C-N 118.898 0.772 . . . . 0.0 111.242 175.907 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 42.3 t -61.81 -36.23 72.49 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.37 0 C-N-CA 122.441 0.296 . . . . 0.0 110.342 -177.651 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -68.29 -42.81 78.94 Favored 'General case' 0 CA--C 1.54 0.574 0 O-C-N 121.885 -0.509 . . . . 0.0 112.154 173.315 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 47.5 mt-10 -67.51 -55.21 14.42 Favored 'General case' 0 CA--C 1.531 0.216 0 C-N-CA 124.546 1.139 . . . . 0.0 111.175 -176.769 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 56.0 p -89.53 175.99 7.07 Favored 'General case' 0 N--CA 1.45 -0.46 0 C-N-CA 125.013 1.325 . . . . 0.0 110.795 -169.406 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 4.4 p -81.22 -15.47 55.55 Favored 'General case' 0 N--CA 1.448 -0.542 0 C-N-CA 123.727 0.811 . . . . 0.0 111.141 169.973 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -83.17 162.57 21.22 Favored 'General case' 0 N--CA 1.447 -0.582 0 CA-C-O 122.418 1.104 . . . . 0.0 113.308 -169.643 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 1.2 mptp? -145.27 -44.11 0.22 Allowed 'General case' 0 N--CA 1.45 -0.458 0 CA-C-N 113.193 -1.821 . . . . 0.0 109.528 176.209 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 44.9 mt-10 -39.88 105.11 0.04 OUTLIER 'General case' 0 C--N 1.343 0.295 0 C-N-CA 125.733 1.613 . . . . 0.0 109.738 -176.181 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 22.4 t -51.55 -47.55 63.38 Favored 'General case' 0 C--O 1.22 -0.458 0 O-C-N 123.67 0.607 . . . . 0.0 110.655 -169.076 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -54.21 -37.78 64.94 Favored 'General case' 0 CA--C 1.535 0.38 0 N-CA-C 113.452 0.908 . . . . 0.0 113.452 -179.961 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -75.74 -51.35 12.87 Favored 'General case' 0 CA--C 1.531 0.237 0 CA-C-N 119.052 0.842 . . . . 0.0 109.707 176.553 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 33' ' ' ILE . . . . . . . . . . . . . 6.5 mm -50.81 -34.93 13.6 Favored 'Isoleucine or valine' 0 CA--C 1.545 0.75 0 C-N-CA 125.251 1.42 . . . . 0.0 111.91 178.024 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 84.0 m-20 -73.85 -31.86 63.39 Favored 'General case' 0 C--N 1.331 -0.221 0 C-N-CA 124.769 1.227 . . . . 0.0 110.659 179.728 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 43.8 mt-30 -70.75 -39.28 73.38 Favored 'General case' 0 CA--C 1.533 0.315 0 O-C-N 121.865 -0.522 . . . . 0.0 109.751 170.564 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 6.3 mt -51.51 -53.65 15.28 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.381 0 N-CA-C 108.765 -0.828 . . . . 0.0 108.765 169.507 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 10.1 mt -58.53 -41.54 85.76 Favored 'General case' 0 CA--C 1.534 0.34 0 O-C-N 121.8 -0.563 . . . . 0.0 111.413 178.528 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -48.46 -52.27 19.62 Favored Glycine 0 CA--C 1.529 0.914 0 C-N-CA 123.786 0.707 . . . . 0.0 111.435 171.492 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -58.33 -54.8 42.87 Favored 'General case' 0 N--CA 1.447 -0.583 0 O-C-N 121.568 -0.96 . . . . 0.0 110.14 173.315 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 79.9 mtt180 -60.83 -23.91 65.46 Favored 'General case' 0 C--O 1.232 0.138 0 O-C-N 122.026 -0.421 . . . . 0.0 111.73 -169.957 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 41' ' ' TRP . . . . . . . . . . . . . 65.1 t-105 -48.28 -41.93 29.35 Favored 'General case' 0 N--CA 1.451 -0.416 0 CA-C-N 118.569 0.622 . . . . 0.0 111.288 171.297 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 42' ' ' HIS . . . . . . . . . . . . . 71.6 m80 -61.09 -19.96 62.06 Favored 'General case' 0 CA--C 1.532 0.267 0 C-N-CA 123.846 0.858 . . . . 0.0 112.34 -175.465 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -78.99 -20.04 50.1 Favored 'General case' 0 CA--C 1.534 0.36 0 C-N-CA 122.55 0.34 . . . . 0.0 111.585 176.67 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 28.1 mt -66.77 125.73 26.79 Favored 'General case' 0 C--O 1.235 0.309 0 CA-C-N 118.885 0.766 . . . . 0.0 110.498 -179.597 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 86.1 p -59.03 154.8 14.82 Favored 'General case' 0 CA--C 1.531 0.235 0 N-CA-C 108.103 -1.073 . . . . 0.0 108.103 168.809 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -54.4 -33.12 58.71 Favored 'General case' 0 CA--C 1.537 0.445 0 O-C-N 121.816 -0.553 . . . . 0.0 110.994 -177.611 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 2.4 mp0 -63.56 -52.53 60.64 Favored 'General case' 0 CA--C 1.532 0.267 0 C-N-CA 123.883 0.873 . . . . 0.0 110.934 174.26 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 37.2 mt-10 -56.4 -42.87 78.68 Favored 'General case' 0 C--O 1.224 -0.244 0 N-CA-C 110.275 -0.268 . . . . 0.0 110.275 176.063 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 74.9 mt-30 -55.24 -59.88 4.17 Favored 'General case' 0 N--CA 1.454 -0.233 0 N-CA-C 109.19 -0.671 . . . . 0.0 109.19 174.158 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -47.36 -43.19 22.96 Favored 'General case' 0 CA--C 1.533 0.307 0 C-N-CA 123.96 0.904 . . . . 0.0 112.21 -178.865 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 10.0 pttt -46.56 -41.88 15.04 Favored 'General case' 0 CA--C 1.534 0.355 0 C-N-CA 122.744 0.418 . . . . 0.0 111.554 176.948 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 52' ' ' TYR . . . . . 0.424 ' HB3' ' CB ' ' A' ' 9' ' ' ALA . 44.6 m-85 -63.74 -34.02 76.96 Favored 'General case' 0 CA--C 1.517 -0.327 0 N-CA-C 112.911 0.708 . . . . 0.0 112.911 -179.127 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 53' ' ' TYR . . . . . . . . . . . . . 29.8 m-85 -72.25 -42.86 65.17 Favored 'General case' 0 N--CA 1.449 -0.482 0 N-CA-C 107.073 -1.454 . . . . 0.0 107.073 -176.475 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 42.2 mt-10 -53.79 -61.33 2.37 Favored 'General case' 0 CA--C 1.534 0.352 0 CA-C-N 116.372 -0.376 . . . . 0.0 110.009 169.91 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 5.2 mp -45.99 -54.19 8.78 Favored 'General case' 0 C--O 1.225 -0.22 0 C-N-CA 124.263 1.025 . . . . 0.0 112.891 176.542 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.534 0.331 0 CA-C-O 121.12 0.486 . . . . 0.0 109.774 179.039 . . . . . . . . 0 0 . 1 . 011 nuclear build core ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 4.6 p30 . . . . . 0 N--CA 1.443 -0.794 0 CA-C-O 122.453 1.12 . . . . 0.0 111.691 . . . . . . . . . 0 0 . 1 . 011 nuclear build core ' A' A ' 9' ' ' ALA . . . . . 0.439 ' CB ' ' HB3' ' A' ' 52' ' ' TYR . . . -38.53 -62.91 0.55 Allowed 'General case' 0 N--CA 1.445 -0.681 0 C-N-CA 126.784 2.034 . . . . 0.0 113.567 -179.624 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 10' ' ' PHE . . . . . . . . . . . . . 5.6 m-85 -70.85 -27.07 63.57 Favored 'General case' 0 N--CA 1.452 -0.345 0 O-C-N 121.599 -0.688 . . . . 0.0 110.952 -170.219 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 11' ' ' MET . . . . . . . . . . . . . 69.7 mmm -66.24 -44.67 83.1 Favored 'General case' 0 N--CA 1.452 -0.343 0 N-CA-C 108.643 -0.873 . . . . 0.0 108.643 177.816 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 64.2 mt -61.96 -45.15 94.93 Favored 'General case' 0 C--N 1.334 -0.083 0 O-C-N 121.794 -0.566 . . . . 0.0 110.126 174.177 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 12.8 t80 -54.23 -44.95 72.17 Favored 'General case' 0 CA--C 1.53 0.201 0 C-N-CA 120.512 -0.475 . . . . 0.0 109.921 178.64 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 14' ' ' MET . . . . . . . . . . . . . 24.5 ttm -54.87 -60.38 3.44 Favored 'General case' 0 N--CA 1.451 -0.39 0 C-N-CA 123.318 0.647 . . . . 0.0 110.288 171.469 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 4.9 mtpm? -48.96 -43.94 40.31 Favored 'General case' 0 CA--C 1.534 0.345 0 CA-C-N 119.183 0.901 . . . . 0.0 111.701 -176.715 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 48.2 mt-10 -68.4 -63.62 1.02 Allowed 'General case' 0 CA--C 1.536 0.409 0 C-N-CA 123.017 0.527 . . . . 0.0 111.811 179.498 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 17' ' ' MET . . . . . . . . . . . . . 8.9 mtp -83.29 -28.44 29.11 Favored 'General case' 0 C--O 1.226 -0.132 0 N-CA-C 114.584 1.327 . . . . 0.0 114.584 -169.072 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 18' ' ' ARG . . . . . 0.402 ' HG2' ' CG2' ' A' ' 33' ' ' ILE . 7.1 tmm_? -57.71 -41.96 82.82 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 118.978 0.808 . . . . 0.0 111.747 -169.944 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -54.71 -47.82 73.24 Favored 'General case' 0 CA--C 1.533 0.296 0 O-C-N 122.054 -0.403 . . . . 0.0 110.557 172.505 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 20' ' ' ASN . . . . . . . . . . . . . 1.7 t30 -58.21 -50.47 73.43 Favored 'General case' 0 C--O 1.222 -0.358 0 N-CA-C 109.505 -0.554 . . . . 0.0 109.505 175.655 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 74.3 t -51.67 -52.81 19.55 Favored 'Isoleucine or valine' 0 C--N 1.334 -0.101 0 CA-C-N 119.04 0.837 . . . . 0.0 110.572 178.975 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 55.2 t -58.77 -36.75 62.32 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.473 0 C-N-CA 122.883 0.473 . . . . 0.0 110.501 -178.882 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -67.32 -47.56 70.16 Favored 'General case' 0 CA--C 1.539 0.546 0 N-CA-C 112.524 0.565 . . . . 0.0 112.524 173.278 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 32.6 mt-10 -68.71 -52.32 32.02 Favored 'General case' 0 CA--C 1.53 0.194 0 C-N-CA 123.396 0.679 . . . . 0.0 111.397 -174.887 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 55.9 p -89.49 177.05 6.66 Favored 'General case' 0 N--CA 1.451 -0.418 0 C-N-CA 124.086 0.954 . . . . 0.0 110.974 -169.594 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 3.7 p -81.4 -12.24 59.02 Favored 'General case' 0 N--CA 1.445 -0.682 0 C-N-CA 123.754 0.822 . . . . 0.0 110.989 169.731 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 4.1 mm? -82.75 153.23 25.38 Favored 'General case' 0 N--CA 1.447 -0.597 0 CA-C-N 119.247 0.93 . . . . 0.0 113.171 -169.857 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 2.0 mptp? -139.79 -32.22 0.64 Allowed 'General case' 0 CA--C 1.532 0.262 0 CA-C-N 113.67 -1.604 . . . . 0.0 110.711 168.086 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 2.8 mp0 -52.67 112.14 0.78 Allowed 'General case' 0 N--CA 1.451 -0.413 0 C-N-CA 125.259 1.424 . . . . 0.0 107.946 -173.687 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 9.4 t -56.81 -34.54 67.79 Favored 'General case' 0 N--CA 1.445 -0.72 0 N-CA-C 113.498 0.925 . . . . 0.0 113.498 -168.075 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -65.39 -39.63 92.48 Favored 'General case' 0 CA--C 1.534 0.331 0 CA-C-N 120.143 1.338 . . . . 0.0 112.551 177.446 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -69.06 -48.16 63.47 Favored 'General case' 0 C--N 1.335 -0.047 0 O-C-N 121.399 -0.813 . . . . 0.0 108.91 176.221 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 33' ' ' ILE . . . . . 0.402 ' CG2' ' HG2' ' A' ' 18' ' ' ARG . 8.1 mm -56.65 -41.17 73.43 Favored 'Isoleucine or valine' 0 CA--C 1.542 0.654 0 C-N-CA 124.091 0.956 . . . . 0.0 111.236 178.881 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 3.2 m-80 -56.02 -48.03 76.71 Favored 'General case' 0 N--CA 1.463 0.199 0 O-C-N 120.825 -1.172 . . . . 0.0 111.137 172.22 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 36.8 mt-30 -62.87 -36.6 83.82 Favored 'General case' 0 CA--C 1.533 0.311 0 C-N-CA 120.235 -0.586 . . . . 0.0 110.743 176.133 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 42.0 mt -56.29 -50.36 71.93 Favored 'Isoleucine or valine' 0 CA--C 1.537 0.449 0 CA-C-N 118.714 0.688 . . . . 0.0 110.542 170.641 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 4.1 mm? -53.07 -47.03 68.81 Favored 'General case' 0 CA--C 1.537 0.464 0 CA-C-N 120.068 1.304 . . . . 0.0 110.105 172.715 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -49.54 -51.07 28.77 Favored Glycine 0 CA--C 1.532 1.137 0 C-N-CA 123.938 0.78 . . . . 0.0 112.055 176.148 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 1.6 tmt_? -56.43 -62.77 1.49 Allowed 'General case' 0 N--CA 1.449 -0.481 0 O-C-N 121.836 -0.802 . . . . 0.0 109.168 173.34 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 57.3 mtt180 -56.85 -24.28 50.22 Favored 'General case' 0 N--CA 1.456 -0.141 0 C-N-CA 123.766 0.827 . . . . 0.0 112.283 -171.737 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 41' ' ' TRP . . . . . . . . . . . . . 64.1 t-105 -49.49 -40.45 37.41 Favored 'General case' 0 N--CA 1.454 -0.264 0 CA-C-N 118.845 0.748 . . . . 0.0 111.174 172.865 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 42' ' ' HIS . . . . . . . . . . . . . 71.0 m80 -60.7 -19.63 59.1 Favored 'General case' 0 N--CA 1.453 -0.284 0 C-N-CA 123.702 0.801 . . . . 0.0 112.587 -176.974 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -79.25 -18.41 52.85 Favored 'General case' 0 CA--C 1.534 0.362 0 CA-C-N 118.072 0.396 . . . . 0.0 111.5 177.182 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 31.0 mt -70.54 124.82 25.15 Favored 'General case' 0 N--CA 1.453 -0.294 0 CA-C-N 118.662 0.664 . . . . 0.0 110.362 -179.628 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 78.6 p -56.96 160.86 3.29 Favored 'General case' 0 CA--C 1.531 0.237 0 N-CA-C 109.53 -0.544 . . . . 0.0 109.53 169.139 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 61.9 ttp85 -45.68 -44.87 13.82 Favored 'General case' 0 CA--C 1.536 0.425 0 C-N-CA 123.147 0.579 . . . . 0.0 110.773 173.883 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 58.4 mp0 -65.46 -50.82 63.94 Favored 'General case' 0 N--CA 1.45 -0.442 0 C-N-CA 123.766 0.827 . . . . 0.0 111.126 179.989 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 33.0 mt-10 -55.97 -43.17 77.31 Favored 'General case' 0 CA--C 1.529 0.149 0 C-N-CA 120.889 -0.324 . . . . 0.0 110.801 176.715 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 75.1 mt-30 -56.77 -59.79 4.5 Favored 'General case' 0 N--CA 1.454 -0.225 0 N-CA-C 108.917 -0.771 . . . . 0.0 108.917 174.17 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -47.65 -42.93 25.65 Favored 'General case' 0 CA--C 1.531 0.227 0 C-N-CA 123.754 0.821 . . . . 0.0 112.042 -178.149 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 9.8 pttt -45.77 -43.06 12.78 Favored 'General case' 0 CA--C 1.533 0.316 0 C-N-CA 123.03 0.532 . . . . 0.0 111.241 177.158 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 52' ' ' TYR . . . . . 0.439 ' HB3' ' CB ' ' A' ' 9' ' ' ALA . 40.9 m-85 -62.31 -35.02 77.76 Favored 'General case' 0 N--CA 1.454 -0.272 0 N-CA-C 112.801 0.667 . . . . 0.0 112.801 -178.348 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 53' ' ' TYR . . . . . . . . . . . . . 30.6 m-85 -70.74 -36.95 73.4 Favored 'General case' 0 N--CA 1.451 -0.399 0 N-CA-C 107.77 -1.196 . . . . 0.0 107.77 -176.002 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 33.5 mm-40 -62.44 -59.08 5.48 Favored 'General case' 0 CA--C 1.533 0.314 0 N-CA-C 109.903 -0.406 . . . . 0.0 109.903 169.71 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 6.4 mp -45.16 -50.14 11.57 Favored 'General case' 0 C--O 1.226 -0.182 0 C-N-CA 124.095 0.958 . . . . 0.0 113.251 177.017 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.536 0.429 0 CA-C-O 121.24 0.543 . . . . 0.0 110.017 176.752 . . . . . . . . 0 0 . 1 . 012 nuclear build core ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 6.3 p30 . . . . . 0 N--CA 1.449 -0.515 0 CA-C-O 122.074 0.94 . . . . 0.0 111.958 . . . . . . . . . 0 0 . 1 . 012 nuclear build core ' A' A ' 9' ' ' ALA . . . . . 0.431 ' CB ' ' HB3' ' A' ' 52' ' ' TYR . . . -38.88 -64.1 0.47 Allowed 'General case' 0 N--CA 1.448 -0.571 0 C-N-CA 126.846 2.058 . . . . 0.0 114.063 178.601 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 10' ' ' PHE . . . . . . . . . . . . . 5.5 m-85 -69.74 -26.37 64.29 Favored 'General case' 0 N--CA 1.455 -0.224 0 O-C-N 121.499 -0.751 . . . . 0.0 111.11 -169.635 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 11' ' ' MET . . . . . . . . . . . . . 43.5 mmm -62.88 -46.67 86.79 Favored 'General case' 0 N--CA 1.453 -0.286 0 N-CA-C 108.317 -0.994 . . . . 0.0 108.317 176.346 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 47.4 mt -63.93 -43.77 94.89 Favored 'General case' 0 C--N 1.332 -0.185 0 O-C-N 121.98 -0.45 . . . . 0.0 109.849 176.798 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 14.8 t80 -54.46 -45.07 73.04 Favored 'General case' 0 C--N 1.34 0.179 0 N-CA-C 109.603 -0.517 . . . . 0.0 109.603 178.734 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 14' ' ' MET . . . . . . . . . . . . . 20.1 ttm -56.17 -61.55 2.31 Favored 'General case' 0 N--CA 1.446 -0.644 0 CA-C-O 118.605 -0.712 . . . . 0.0 109.981 172.653 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 5.3 mtpm? -47.34 -41.29 19.17 Favored 'General case' 0 CA--C 1.535 0.4 0 CA-C-N 119.402 1.001 . . . . 0.0 111.96 -177.179 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 46.9 mt-10 -71.88 -69.6 0.38 Allowed 'General case' 0 CA--C 1.538 0.497 0 C-N-CA 123.106 0.562 . . . . 0.0 112.34 177.832 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 17' ' ' MET . . . . . . . . . . . . . 7.6 mtp -79.9 -26.97 40.03 Favored 'General case' 0 CA--C 1.523 -0.069 0 N-CA-C 114.581 1.326 . . . . 0.0 114.581 -169.047 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 6.8 tmm_? -58.91 -41.87 88.29 Favored 'General case' 0 C--N 1.327 -0.396 0 O-C-N 121.304 -0.873 . . . . 0.0 111.186 -171.774 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -51.79 -47.89 64.04 Favored 'General case' 0 CA--C 1.533 0.288 0 O-C-N 122.137 -0.352 . . . . 0.0 110.452 172.598 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 20' ' ' ASN . . . . . . . . . . . . . 4.4 t30 -59.63 -51.07 71.37 Favored 'General case' 0 C--O 1.224 -0.271 0 CA-C-O 119.111 -0.471 . . . . 0.0 109.874 176.023 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 73.2 t -50.64 -51.12 20.53 Favored 'Isoleucine or valine' 0 N--CA 1.461 0.114 0 CA-C-N 118.968 0.803 . . . . 0.0 110.859 178.152 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 46.9 t -61.89 -36.87 76.4 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.398 0 C-N-CA 122.82 0.448 . . . . 0.0 109.932 -177.703 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -65.26 -46.66 79.62 Favored 'General case' 0 CA--C 1.539 0.525 0 O-C-N 121.871 -0.518 . . . . 0.0 112.185 173.347 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 27.6 mt-10 -69.18 -52.76 24.73 Favored 'General case' 0 CA--C 1.531 0.226 0 CA-C-O 121.112 0.482 . . . . 0.0 111.484 -176.219 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 54.5 p -85.35 175.32 8.96 Favored 'General case' 0 N--CA 1.453 -0.32 0 C-N-CA 124.139 0.975 . . . . 0.0 110.774 -169.921 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 4.9 p -83.91 -10.84 57.68 Favored 'General case' 0 N--CA 1.45 -0.444 0 C-N-CA 123.892 0.877 . . . . 0.0 111.442 170.589 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -89.55 156.67 18.46 Favored 'General case' 0 N--CA 1.45 -0.463 0 CA-C-O 122.162 0.982 . . . . 0.0 113.007 -169.71 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 8.1 mptt -136.34 -44.62 0.62 Allowed 'General case' 0 N--CA 1.449 -0.483 0 CA-C-N 113.774 -1.557 . . . . 0.0 109.392 174.593 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 2.5 mp0 -39.25 104.9 0.04 OUTLIER 'General case' 0 C--O 1.237 0.404 0 C-N-CA 127.239 2.216 . . . . 0.0 109.658 -175.067 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 8.8 t -55.1 -37.86 67.38 Favored 'General case' 0 N--CA 1.448 -0.534 0 N-CA-C 112.962 0.727 . . . . 0.0 112.962 -168.044 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -63.43 -33.97 76.72 Favored 'General case' 0 CA--C 1.535 0.371 0 CA-C-N 119.503 1.047 . . . . 0.0 112.603 179.31 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -76.04 -49.46 17.49 Favored 'General case' 0 CA--C 1.531 0.233 0 CA-C-O 121.856 0.836 . . . . 0.0 109.416 175.478 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 33' ' ' ILE . . . . . . . . . . . . . 6.2 mm -54.34 -35.8 31.72 Favored 'Isoleucine or valine' 0 CA--C 1.547 0.839 0 C-N-CA 124.91 1.284 . . . . 0.0 111.574 177.828 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 3.4 m-80 -57.88 -44.95 87.02 Favored 'General case' 0 N--CA 1.462 0.156 0 C-N-CA 124.426 1.09 . . . . 0.0 112.089 169.818 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 42.5 mt-30 -68.03 -37.8 81.8 Favored 'General case' 0 N--CA 1.453 -0.315 0 O-C-N 121.808 -0.558 . . . . 0.0 109.881 178.298 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 21.7 mt -52.71 -53.36 21.07 Favored 'Isoleucine or valine' 0 C--N 1.341 0.237 0 N-CA-C 109.382 -0.599 . . . . 0.0 109.382 169.556 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 10.5 mt -57.28 -41.92 80.67 Favored 'General case' 0 CA--C 1.534 0.343 0 CA-C-N 118.983 0.81 . . . . 0.0 111.516 177.01 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -48.57 -51.25 22.92 Favored Glycine 0 CA--C 1.53 1.03 0 C-N-CA 123.955 0.788 . . . . 0.0 111.386 172.933 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 1.1 tmt_? -57.96 -62.81 1.54 Allowed 'General case' 0 N--CA 1.449 -0.5 0 O-C-N 121.901 -0.764 . . . . 0.0 109.68 171.993 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 81.5 mtt180 -57.63 -22.54 46.08 Favored 'General case' 0 C--O 1.231 0.122 0 C-N-CA 123.67 0.788 . . . . 0.0 112.78 -169.705 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 41' ' ' TRP . . . . . . . . . . . . . 65.6 t-105 -47.67 -42.11 23.99 Favored 'General case' 0 N--CA 1.452 -0.325 0 CA-C-N 118.866 0.757 . . . . 0.0 111.272 170.733 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 42' ' ' HIS . . . . . . . . . . . . . 74.2 m80 -60.98 -18.6 58.27 Favored 'General case' 0 N--CA 1.453 -0.289 0 C-N-CA 123.777 0.831 . . . . 0.0 112.734 -176.076 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -79.07 -18.47 53.35 Favored 'General case' 0 CA--C 1.534 0.335 0 CA-C-N 118.04 0.382 . . . . 0.0 111.578 176.718 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 36.1 mt -69.34 125.26 26.14 Favored 'General case' 0 N--CA 1.453 -0.28 0 CA-C-N 118.658 0.663 . . . . 0.0 110.472 -179.803 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 82.4 p -57.6 160.59 4.19 Favored 'General case' 0 CA--C 1.532 0.253 0 N-CA-C 109.455 -0.572 . . . . 0.0 109.455 169.349 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 41.8 ttm180 -48.87 -41.79 34.51 Favored 'General case' 0 CA--C 1.534 0.364 0 O-C-N 122.023 -0.423 . . . . 0.0 110.801 175.878 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 2.5 mp0 -63.42 -52.32 62.06 Favored 'General case' 0 N--CA 1.453 -0.308 0 C-N-CA 123.986 0.914 . . . . 0.0 111.033 178.387 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 34.2 mt-10 -56.59 -43.41 80.07 Favored 'General case' 0 CA--C 1.529 0.142 0 CA-C-O 119.641 -0.219 . . . . 0.0 110.668 177.361 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 73.7 mt-30 -56.72 -58.82 6.46 Favored 'General case' 0 N--CA 1.454 -0.256 0 N-CA-C 109.058 -0.719 . . . . 0.0 109.058 174.369 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -46.94 -43.62 19.23 Favored 'General case' 0 C--O 1.235 0.335 0 C-N-CA 124.064 0.946 . . . . 0.0 112.063 -179.119 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 8.1 pttt -46.48 -42.17 15.1 Favored 'General case' 0 CA--C 1.532 0.285 0 C-N-CA 123.254 0.622 . . . . 0.0 111.327 176.514 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 52' ' ' TYR . . . . . 0.431 ' HB3' ' CB ' ' A' ' 9' ' ' ALA . 44.0 m-85 -65.34 -34.78 79.13 Favored 'General case' 0 CA--C 1.515 -0.398 0 O-C-N 121.471 -0.768 . . . . 0.0 112.931 -179.63 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 53' ' ' TYR . . . . . . . . . . . . . 48.0 m-85 -72.98 -40.17 65.51 Favored 'General case' 0 N--CA 1.45 -0.427 0 N-CA-C 107.469 -1.308 . . . . 0.0 107.469 -177.928 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 80.3 mm-40 -54.12 -62.39 1.68 Allowed 'General case' 0 CA--C 1.536 0.411 0 N-CA-C 109.327 -0.62 . . . . 0.0 109.327 169.591 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 5.3 mp -47.94 -51.57 22.99 Favored 'General case' 0 C--O 1.226 -0.181 0 C-N-CA 124.49 1.116 . . . . 0.0 113.456 178.048 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.298 0 N-CA-C 109.497 -0.557 . . . . 0.0 109.497 177.89 . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 26.9 ptt? . . . . . 0 N--CA 1.451 -0.381 0 N-CA-C 108.428 -0.953 . . . . 0.0 108.428 . . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 2' ' ' HIS . . . . . . . . . . . . . 98.4 m-70 -70.56 85.44 0.62 Allowed 'General case' 0 N--CA 1.452 -0.331 0 N-CA-C 109.158 -0.682 . . . . 0.0 109.158 169.795 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . 57.5 mt -77.79 101.08 3.35 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.319 0 N-CA-C 106.27 -1.752 . . . . 0.0 106.27 -179.383 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -45.75 152.66 0.33 Allowed 'General case' 0 N--CA 1.452 -0.36 0 C-N-CA 127.116 2.166 . . . . 0.0 111.475 -178.515 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 11.0 mptt -55.99 147.0 46.37 Favored Pre-proline 0 CA--C 1.537 0.446 0 N-CA-C 108.64 -0.874 . . . . 0.0 108.64 171.929 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 61.0 Cg_endo -66.85 96.26 0.37 Allowed 'Trans proline' 0 N--CA 1.45 -1.069 0 C-N-CA 121.94 1.76 . . . . 0.0 109.628 171.941 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 9.7 mp -39.12 143.19 0.18 Allowed 'General case' 0 N--CA 1.465 0.324 0 C-N-CA 126.806 2.042 . . . . 0.0 112.428 176.715 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 6.1 p30 -98.87 179.34 4.67 Favored 'General case' 0 N--CA 1.449 -0.5 0 C-N-CA 124.535 1.134 . . . . 0.0 111.159 177.558 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 9' ' ' ALA . . . . . 0.4 ' HB1' ' HB3' ' A' ' 52' ' ' TYR . . . -38.95 -63.39 0.53 Allowed 'General case' 0 N--CA 1.45 -0.431 0 C-N-CA 126.789 2.035 . . . . 0.0 113.683 -178.89 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 10' ' ' PHE . . . . . . . . . . . . . 5.3 m-85 -68.3 -23.54 64.75 Favored 'General case' 0 N--CA 1.455 -0.223 0 O-C-N 121.487 -0.758 . . . . 0.0 111.333 -169.507 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 11' ' ' MET . . . . . . . . . . . . . 58.2 mmm -69.29 -38.57 78.38 Favored 'General case' 0 N--CA 1.451 -0.377 0 N-CA-C 109.16 -0.682 . . . . 0.0 109.16 179.209 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 70.1 mt -68.31 -44.08 76.22 Favored 'General case' 0 CA--C 1.519 -0.239 0 O-C-N 121.762 -0.586 . . . . 0.0 110.031 172.515 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 12.1 t80 -55.46 -44.57 76.53 Favored 'General case' 0 C--N 1.339 0.125 0 C-N-CA 119.858 -0.737 . . . . 0.0 109.815 179.346 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 14' ' ' MET . . . . . . . . . . . . . 32.5 ttm -54.2 -62.74 1.46 Allowed 'General case' 0 N--CA 1.449 -0.489 0 C-N-CA 123.494 0.718 . . . . 0.0 110.144 169.909 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 15.9 mmtt -45.1 -43.5 9.72 Favored 'General case' 0 CA--C 1.537 0.451 0 CA-C-N 118.728 0.695 . . . . 0.0 112.173 -177.511 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 47.1 mt-10 -71.44 -66.09 0.67 Allowed 'General case' 0 CA--C 1.538 0.494 0 C-N-CA 123.343 0.657 . . . . 0.0 112.061 178.182 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 17' ' ' MET . . . . . . . . . . . . . 6.5 mtp -79.83 -32.18 40.59 Favored 'General case' 0 C--O 1.226 -0.149 0 N-CA-C 114.1 1.148 . . . . 0.0 114.1 -169.013 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 7.1 tmm_? -54.95 -43.21 73.2 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 118.829 0.74 . . . . 0.0 111.139 -172.916 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -52.8 -49.43 65.64 Favored 'General case' 0 CA--C 1.534 0.329 0 O-C-N 122.054 -0.404 . . . . 0.0 110.704 173.078 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 20' ' ' ASN . . . . . . . . . . . . . 2.7 t30 -59.94 -48.51 81.39 Favored 'General case' 0 C--O 1.224 -0.272 0 C-N-CA 122.608 0.363 . . . . 0.0 110.08 176.902 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 70.5 t -52.71 -51.45 35.53 Favored 'Isoleucine or valine' 0 C--N 1.333 -0.112 0 CA-C-N 118.776 0.716 . . . . 0.0 110.328 177.493 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 44.8 t -63.05 -38.0 80.87 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.374 0 C-N-CA 122.892 0.477 . . . . 0.0 110.184 -177.098 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -65.29 -45.39 84.58 Favored 'General case' 0 CA--C 1.536 0.424 0 O-C-N 121.958 -0.464 . . . . 0.0 111.911 175.062 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 25.6 mm-40 -73.5 -53.44 10.6 Favored 'General case' 0 CA--C 1.531 0.221 0 C-N-CA 124.205 1.002 . . . . 0.0 111.307 -173.724 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 51.4 p -82.87 177.52 8.61 Favored 'General case' 0 N--CA 1.452 -0.353 0 C-N-CA 123.804 0.842 . . . . 0.0 110.651 -172.498 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 5.0 p -84.09 -10.46 57.8 Favored 'General case' 0 N--CA 1.448 -0.54 0 C-N-CA 123.912 0.885 . . . . 0.0 111.538 170.417 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -90.23 155.94 18.65 Favored 'General case' 0 N--CA 1.451 -0.409 0 CA-C-O 122.196 0.998 . . . . 0.0 112.989 -169.722 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 7.9 mptt -137.08 -42.39 0.57 Allowed 'General case' 0 N--CA 1.45 -0.461 0 CA-C-N 113.683 -1.599 . . . . 0.0 109.14 173.966 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 2.8 mp0 -39.26 106.29 0.05 Allowed 'General case' 0 C--O 1.235 0.335 0 C-N-CA 127.331 2.252 . . . . 0.0 110.125 -177.253 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 10.8 t -53.58 -47.6 69.98 Favored 'General case' 0 C--O 1.22 -0.47 0 CA-C-N 116.116 -0.493 . . . . 0.0 112.006 -168.625 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -56.8 -38.48 72.61 Favored 'General case' 0 CA--C 1.535 0.369 0 CA-C-N 119.985 1.266 . . . . 0.0 113.161 -178.3 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -71.07 -50.94 28.44 Favored 'General case' 0 CA--C 1.531 0.219 0 CA-C-O 121.798 0.809 . . . . 0.0 109.498 175.642 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 33' ' ' ILE . . . . . . . . . . . . . 6.7 mm -53.33 -34.94 23.37 Favored 'Isoleucine or valine' 0 CA--C 1.546 0.792 0 C-N-CA 124.814 1.246 . . . . 0.0 112.059 178.847 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 82.3 m-20 -74.98 -36.11 62.03 Favored 'General case' 0 C--N 1.329 -0.286 0 O-C-N 120.568 -1.332 . . . . 0.0 109.8 -179.075 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 39.1 mt-30 -64.5 -37.88 89.07 Favored 'General case' 0 CA--C 1.533 0.292 0 O-C-N 121.708 -0.62 . . . . 0.0 109.351 169.278 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 22.0 mt -55.01 -49.88 67.69 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.327 0 CA-C-O 117.979 -1.01 . . . . 0.0 109.651 169.522 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 4.5 mm? -53.07 -45.16 68.01 Favored 'General case' 0 N--CA 1.469 0.49 0 CA-C-N 120.682 1.583 . . . . 0.0 110.566 174.5 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -47.62 -54.94 10.05 Favored Glycine 0 CA--C 1.533 1.172 0 C-N-CA 123.699 0.666 . . . . 0.0 112.036 172.361 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -55.58 -52.82 62.46 Favored 'General case' 0 N--CA 1.45 -0.435 0 O-C-N 121.441 -1.035 . . . . 0.0 110.257 174.261 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 4.8 mmp_? -59.29 -28.56 66.87 Favored 'General case' 0 N--CA 1.454 -0.272 0 C-N-CA 123.513 0.725 . . . . 0.0 110.208 -171.821 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 41' ' ' TRP . . . . . . . . . . . . . 56.7 t-105 -52.51 -38.52 59.76 Favored 'General case' 0 N--CA 1.452 -0.335 0 O-C-N 121.897 -0.502 . . . . 0.0 111.224 175.312 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 42' ' ' HIS . . . . . . . . . . . . . 51.7 m80 -61.3 -19.69 62.06 Favored 'General case' 0 N--CA 1.453 -0.292 0 C-N-CA 123.649 0.78 . . . . 0.0 112.076 -177.189 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -79.44 -19.16 50.6 Favored 'General case' 0 CA--C 1.534 0.364 0 C-N-CA 122.701 0.4 . . . . 0.0 112.043 176.486 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 26.8 mt -73.96 122.35 22.45 Favored 'General case' 0 N--CA 1.454 -0.255 0 CA-C-N 118.796 0.725 . . . . 0.0 111.077 -174.787 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 79.4 p -59.1 158.93 7.97 Favored 'General case' 0 CA--C 1.532 0.265 0 N-CA-C 109.047 -0.723 . . . . 0.0 109.047 168.99 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 41.6 ptt180 -50.75 -36.85 38.72 Favored 'General case' 0 CA--C 1.536 0.411 0 O-C-N 121.787 -0.57 . . . . 0.0 111.797 179.141 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 59.1 mp0 -67.0 -49.94 63.78 Favored 'General case' 0 N--CA 1.453 -0.322 0 C-N-CA 123.292 0.637 . . . . 0.0 110.756 177.559 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 36.8 mt-10 -56.2 -43.2 78.24 Favored 'General case' 0 C--O 1.227 -0.124 0 O-C-N 122.256 -0.277 . . . . 0.0 110.458 175.694 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 73.3 mt-30 -56.65 -59.2 5.36 Favored 'General case' 0 N--CA 1.455 -0.197 0 N-CA-C 109.094 -0.706 . . . . 0.0 109.094 174.334 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -46.93 -43.61 19.17 Favored 'General case' 0 C--O 1.235 0.301 0 C-N-CA 123.734 0.813 . . . . 0.0 112.239 -179.439 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -47.59 -40.14 18.51 Favored 'General case' 0 CA--C 1.533 0.3 0 C-N-CA 122.948 0.499 . . . . 0.0 111.524 177.29 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 52' ' ' TYR . . . . . 0.4 ' HB3' ' HB1' ' A' ' 9' ' ' ALA . 38.6 m-85 -64.73 -35.4 80.95 Favored 'General case' 0 CA--C 1.514 -0.413 0 O-C-N 121.502 -0.748 . . . . 0.0 112.904 179.505 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 53' ' ' TYR . . . . . . . . . . . . . 41.2 m-85 -72.0 -42.54 66.3 Favored 'General case' 0 N--CA 1.45 -0.44 0 N-CA-C 107.031 -1.47 . . . . 0.0 107.031 -176.515 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 43.1 mt-10 -53.84 -64.16 0.92 Allowed 'General case' 0 CA--C 1.536 0.41 0 C-N-CA 122.714 0.405 . . . . 0.0 110.253 170.045 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 4.6 mp -46.02 -52.52 11.71 Favored 'General case' 0 N--CA 1.462 0.15 0 C-N-CA 124.562 1.145 . . . . 0.0 113.092 176.585 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -50.13 -51.13 45.79 Favored 'General case' 0 N--CA 1.452 -0.369 0 N-CA-C 108.588 -0.893 . . . . 0.0 108.588 176.785 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 7.5 mmt-85 -64.16 -36.09 82.93 Favored 'General case' 0 CA--C 1.538 0.493 0 N-CA-C 112.075 0.398 . . . . 0.0 112.075 179.147 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 69.4 mmtt -57.72 -51.88 67.73 Favored 'General case' 0 N--CA 1.463 0.206 0 O-C-N 120.966 -1.084 . . . . 0.0 109.927 173.921 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 43.8 mm-40 -57.3 -40.55 78.06 Favored 'General case' 0 CA--C 1.533 0.302 0 CA-C-O 120.774 0.321 . . . . 0.0 110.99 176.287 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 60' ' ' ARG . . . . . . . . . . . . . 2.8 ttm-85 -58.77 -47.9 83.11 Favored 'General case' 0 C--O 1.235 0.313 0 C-N-CA 124.616 1.167 . . . . 0.0 109.484 -179.402 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 61' ' ' GLN . . . . . . . . . . . . . 31.3 mt-30 -65.13 -44.08 89.85 Favored 'General case' 0 N--CA 1.454 -0.229 0 C-N-CA 123.841 0.857 . . . . 0.0 110.555 175.973 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 37.6 tp -53.3 -54.56 34.64 Favored 'General case' 0 C--O 1.223 -0.293 0 CA-C-N 118.783 0.719 . . . . 0.0 109.102 176.133 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 63' ' ' HIS . . . . . . . . . . . . . 0.8 OUTLIER -42.08 -55.59 3.15 Favored 'General case' 0 CA--C 1.535 0.373 0 C-N-CA 124.322 1.049 . . . . 0.0 111.759 169.557 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 64' ' ' MET . . . . . . . . . . . . . 91.7 mmm -60.79 -31.27 70.65 Favored 'General case' 0 CA--C 1.537 0.45 0 N-CA-C 113.241 0.83 . . . . 0.0 113.241 178.3 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 65' ' ' GLN . . . . . . . . . . . . . 15.9 mt-30 -78.34 -53.04 7.72 Favored 'General case' 0 C--N 1.334 -0.095 0 O-C-N 121.222 -0.924 . . . . 0.0 109.129 -176.875 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 71.8 mt -58.17 -40.78 82.3 Favored 'General case' 0 N--CA 1.451 -0.392 0 C-N-CA 124.111 0.964 . . . . 0.0 110.483 176.755 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 67' ' ' TYR . . . . . . . . . . . . . 45.9 m-85 -136.05 83.17 34.52 Favored Pre-proline 0 CA--C 1.537 0.46 0 C-N-CA 123.524 0.73 . . . . 0.0 110.938 -175.59 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 68' ' ' PRO . . . . . . . . . . . . . 83.2 Cg_exo -46.09 103.92 0.06 OUTLIER 'Trans proline' 0 N--CA 1.457 -0.657 0 C-N-CA 124.735 3.623 . . . . 0.0 113.141 177.789 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . 71.52 25.23 75.66 Favored Glycine 0 C--N 1.335 0.521 0 CA-C-O 118.967 -0.907 . . . . 0.0 113.237 176.659 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 70' ' ' TRP . . . . . . . . . . . . . 62.5 t-105 -61.18 113.52 2.63 Favored 'General case' 0 N--CA 1.448 -0.542 0 C-N-CA 118.251 -1.379 . . . . 0.0 109.144 170.097 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 46.3 m -81.72 134.19 35.43 Favored 'General case' 0 N--CA 1.444 -0.746 0 N-CA-C 107.033 -1.469 . . . . 0.0 107.033 -179.523 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 72' ' ' ALA . . . . . 0.428 ' HB2' " H4'" ' B' ' 11' ' ' ' DA' . . . -39.86 -47.32 2.13 Favored 'General case' 0 C--N 1.329 -0.312 0 N-CA-C 117.637 2.458 . . . . 0.0 117.637 -168.77 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 73' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -55.67 73.55 0.0 OUTLIER 'General case' 0 CA--C 1.537 0.45 0 N-CA-C 116.077 1.88 . . . . 0.0 116.077 -170.416 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 74' ' ' ASP . . . . . . . . . . . . . 8.1 p-10 -90.18 -20.33 23.18 Favored 'General case' 0 N--CA 1.455 -0.219 0 C-N-CA 125.503 1.521 . . . . 0.0 111.41 172.158 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 75' ' ' ASN . . . . . . . . . . . . . 48.9 m-80 -152.59 20.93 0.62 Allowed 'General case' 0 CA--C 1.535 0.394 0 C-N-CA 124.381 1.072 . . . . 0.0 111.589 -178.756 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 76' ' ' TYR . . . . . . . . . . . . . 24.0 t80 -58.04 123.58 16.38 Favored 'General case' 0 CA--C 1.533 0.324 0 O-C-N 121.298 -0.876 . . . . 0.0 110.663 -173.856 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 69.78 21.82 76.67 Favored Glycine 0 CA--C 1.531 1.091 0 CA-C-O 118.718 -1.045 . . . . 0.0 114.037 -178.652 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 47.1 mmtm -89.45 -48.3 7.42 Favored 'General case' 0 N--CA 1.463 0.206 0 CA-C-N 119.341 1.57 . . . . 0.0 110.566 173.69 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 17.3 mttm -69.46 139.47 53.97 Favored 'General case' 0 CA--C 1.533 0.289 0 N-CA-C 106.966 -1.494 . . . . 0.0 106.966 168.913 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 66.9 mttm -61.25 -52.32 65.23 Favored 'General case' 0 CA--C 1.533 0.301 0 CA-C-N 118.054 0.388 . . . . 0.0 110.287 175.695 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 15.0 ttpp 71.14 143.36 0.06 Allowed 'General case' 0 CA--C 1.534 0.337 0 C-N-CA 126.75 2.02 . . . . 0.0 112.582 -177.392 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 82' ' ' ARG . . . . . 0.483 ' H ' ' CD ' ' A' ' 82' ' ' ARG . 0.0 OUTLIER -95.4 173.77 7.36 Favored 'General case' 0 CA--C 1.531 0.249 0 C-N-CA 125.519 1.527 . . . . 0.0 108.658 172.454 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . 3.6 mptp? 60.99 -59.67 0.09 Allowed 'General case' 0 CA--C 1.537 0.452 0 C-N-CA 128.694 2.798 . . . . 0.0 111.322 -174.08 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 84' ' ' ARG . . . . . . . . . . . . . 7.7 mtp-105 72.38 -73.96 0.09 Allowed 'General case' 0 N--CA 1.453 -0.296 0 C-N-CA 126.197 1.799 . . . . 0.0 110.48 168.958 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 37.8 mt-10 -81.4 64.65 6.21 Favored 'General case' 0 N--CA 1.451 -0.403 0 C-N-CA 123.745 0.818 . . . . 0.0 108.896 178.101 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 49.6 pttt . . . . . 0 CA--C 1.532 0.288 0 O-C-N 121.861 -0.524 . . . . 0.0 110.897 -174.444 . . . . . . . . 0 0 . 1 . 001 nuclear build full ' B' B ' 1' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.531 2.493 2 O4'-C1'-N19 111.527 4.658 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 2' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.536 3.083 0 P-O3'-C3' 123.499 3.166 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 001 nuclear build full ' B' B ' 3' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.416 -2.723 0 P-O3'-C3' 123.271 2.976 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 001 nuclear build full ' B' B ' 4' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.409 -3.319 0 O4'-C4'-C3' 107.835 2.235 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 001 nuclear build full ' B' B ' 5' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.406 -3.666 0 P-O3'-C3' 122.591 2.409 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 001 nuclear build full ' B' B ' 6' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.406 -3.619 0 C5'-C4'-O4' 113.774 2.734 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 001 nuclear build full ' B' B ' 7' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.416 -2.716 0 C4'-C3'-C2' 100.157 -3.043 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 001 nuclear build full ' B' B ' 8' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.406 -3.665 0 C3'-C2'-C1' 106.645 2.818 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 001 nuclear build full ' B' B ' 9' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.413 -2.987 0 P-O3'-C3' 122.967 2.723 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 001 nuclear build full ' B' B ' 10' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.413 -3.035 0 P-O3'-C3' 123.315 3.013 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 001 nuclear build full ' B' B ' 11' ' ' ' DA' . . . . . 0.428 " H4'" ' HB2' ' A' ' 72' ' ' ALA . . . . . . . . 0 O4'--C4' 1.415 -2.779 2 O4'-C1'-N19 111.912 5.139 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 12' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.534 2.857 0 C4'-C3'-C2' 99.993 -3.207 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 001 nuclear build full ' B' B ' 13' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.416 -2.768 0 N19-C1'-C2' 109.137 -3.165 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 001 nuclear build full ' B' B ' 14' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.414 -2.899 0 O4'-C1'-N19 110.508 3.385 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 001 nuclear build full ' B' B ' 15' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.411 -3.189 0 O4'-C1'-N19 109.973 2.716 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 001 nuclear build full ' C' C ' 1' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.415 -2.783 1 O4'-C1'-N19 112.117 5.397 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 001 nuclear build full ' C' C ' 2' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.532 2.594 0 O4'-C1'-N19 110.197 2.996 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 001 nuclear build full ' C' C ' 3' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.415 -2.85 2 O4'-C1'-N19 115.324 9.405 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 001 nuclear build full ' C' C ' 4' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.534 2.88 0 O4'-C1'-N19 110.024 2.779 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 001 nuclear build full ' C' C ' 5' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.417 -2.625 0 P-O3'-C3' 122.624 2.437 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 001 nuclear build full ' C' C ' 6' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.415 -2.805 0 O4'-C1'-C2' 102.271 -3.481 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 001 nuclear build full ' C' C ' 7' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.408 -3.416 0 O4'-C4'-C3' 109.204 3.604 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 001 nuclear build full ' C' C ' 8' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.406 -3.651 0 C4'-C3'-C2' 99.202 -3.998 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 001 nuclear build full ' C' C ' 9' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.411 -3.182 0 C5'-C4'-C3' 110.904 -2.531 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 001 nuclear build full ' C' C ' 10' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.416 -2.697 1 O4'-C1'-N19 111.692 4.865 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 001 nuclear build full ' C' C ' 11' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.415 -2.832 0 O4'-C1'-C2' 103.393 -2.461 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 001 nuclear build full ' C' C ' 12' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.531 2.515 0 O3'-P-O5' 97.893 -3.214 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 001 nuclear build full ' C' C ' 13' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.416 -2.761 0 O4'-C1'-N19 110.671 3.589 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 001 nuclear build full ' C' C ' 14' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.413 -2.98 0 O4'-C1'-C2' 102.827 -2.976 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 001 nuclear build full ' C' C ' 15' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.417 -2.618 1 O4'-C1'-N19 111.217 4.272 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 89.0 mtp . . . . . 0 N--CA 1.451 -0.386 0 N-CA-C 108.357 -0.979 . . . . 0.0 108.357 . . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 2' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER -124.85 113.17 17.53 Favored 'General case' 0 N--CA 1.454 -0.229 0 C-N-CA 124.267 1.027 . . . . 0.0 108.427 173.594 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . 10.9 mt -79.93 131.09 34.95 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.471 0 C-N-CA 123.915 0.886 . . . . 0.0 109.18 -178.965 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -69.63 121.52 17.29 Favored 'General case' 0 N--CA 1.448 -0.533 0 N-CA-C 109.035 -0.728 . . . . 0.0 109.035 173.446 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 1.7 mptm? -62.35 165.25 9.26 Favored Pre-proline 0 CA--C 1.534 0.348 0 C-N-CA 124.055 0.942 . . . . 0.0 110.976 179.828 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 74.0 Cg_exo -59.67 84.38 0.06 OUTLIER 'Trans proline' 0 N--CA 1.452 -0.936 0 C-N-CA 123.051 2.5 . . . . 0.0 110.34 168.065 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 9.3 mp -39.74 111.4 0.19 Allowed 'General case' 0 C--O 1.231 0.116 0 C-N-CA 124.842 1.257 . . . . 0.0 111.981 174.063 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 5.0 p30 -66.8 172.17 4.59 Favored 'General case' 0 N--CA 1.442 -0.852 0 CA-C-O 122.702 1.239 . . . . 0.0 111.316 175.494 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 9' ' ' ALA . . . . . 0.482 ' CB ' ' HB3' ' A' ' 52' ' ' TYR . . . -38.84 -56.89 1.3 Allowed 'General case' 0 N--CA 1.442 -0.86 0 C-N-CA 126.824 2.05 . . . . 0.0 113.425 -178.671 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 10' ' ' PHE . . . . . . . . . . . . . 5.0 m-85 -69.59 -26.43 64.45 Favored 'General case' 0 N--CA 1.451 -0.377 0 O-C-N 121.563 -0.711 . . . . 0.0 111.223 -171.253 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 11' ' ' MET . . . . . . . . . . . . . 56.8 mmm -69.84 -42.61 73.37 Favored 'General case' 0 N--CA 1.453 -0.28 0 N-CA-C 108.645 -0.872 . . . . 0.0 108.645 -179.98 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 45.4 mt -63.79 -44.54 93.04 Favored 'General case' 0 N--CA 1.456 -0.166 0 O-C-N 121.842 -0.536 . . . . 0.0 109.587 173.75 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 23.3 t80 -54.37 -46.44 73.03 Favored 'General case' 0 C--N 1.341 0.208 0 N-CA-C 109.549 -0.537 . . . . 0.0 109.549 178.903 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 14' ' ' MET . . . . . . . . . . . . . 31.6 ttm -53.85 -59.96 3.95 Favored 'General case' 0 N--CA 1.448 -0.542 0 C-N-CA 123.253 0.621 . . . . 0.0 110.3 171.33 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 31.6 mttt -48.36 -44.17 34.27 Favored 'General case' 0 CA--C 1.534 0.356 0 CA-C-N 119.205 0.911 . . . . 0.0 112.136 -177.549 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 45.4 mt-10 -69.35 -62.17 1.49 Allowed 'General case' 0 CA--C 1.536 0.432 0 C-N-CA 122.844 0.458 . . . . 0.0 111.883 179.578 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 17' ' ' MET . . . . . . . . . . . . . 6.6 mtp -84.7 -30.27 24.93 Favored 'General case' 0 C--O 1.226 -0.144 0 N-CA-C 114.628 1.344 . . . . 0.0 114.628 -169.08 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 7.1 tmm_? -56.92 -43.91 81.92 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-N 119.112 0.869 . . . . 0.0 111.466 -171.708 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -52.7 -47.25 67.37 Favored 'General case' 0 CA--C 1.534 0.339 0 O-C-N 121.74 -0.6 . . . . 0.0 110.603 172.848 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 20' ' ' ASN . . . . . . . . . . . . . 5.8 t30 -61.9 -45.98 91.39 Favored 'General case' 0 N--CA 1.453 -0.301 0 CA-C-O 119.545 -0.264 . . . . 0.0 110.476 177.503 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 72.5 t -53.79 -51.39 44.69 Favored 'Isoleucine or valine' 0 C--O 1.227 -0.088 0 CA-C-N 118.827 0.74 . . . . 0.0 110.481 175.677 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 51.0 t -60.73 -36.73 72.99 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.38 0 N-CA-C 109.701 -0.481 . . . . 0.0 109.701 -178.33 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -65.02 -46.68 80.33 Favored 'General case' 0 CA--C 1.539 0.532 0 O-C-N 121.879 -0.513 . . . . 0.0 112.267 172.93 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 60.7 mt-10 -66.14 -57.71 7.04 Favored 'General case' 0 CA--C 1.531 0.229 0 CA-C-O 121.632 0.729 . . . . 0.0 111.622 -177.742 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 53.2 p -83.97 173.14 11.42 Favored 'General case' 0 N--CA 1.448 -0.545 0 C-N-CA 125.109 1.364 . . . . 0.0 111.466 -168.695 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 9.6 p -81.73 -9.8 59.54 Favored 'General case' 0 N--CA 1.448 -0.531 0 C-N-CA 123.472 0.709 . . . . 0.0 111.13 169.777 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -87.21 159.43 18.84 Favored 'General case' 0 N--CA 1.45 -0.457 0 CA-C-O 122.535 1.16 . . . . 0.0 112.731 -170.041 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 8.4 mptt -142.07 -45.97 0.34 Allowed 'General case' 0 N--CA 1.447 -0.58 0 CA-C-N 113.176 -1.829 . . . . 0.0 108.783 176.066 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 46.7 mt-10 -39.65 103.97 0.03 OUTLIER 'General case' 0 C--N 1.344 0.353 0 C-N-CA 125.994 1.718 . . . . 0.0 109.68 -174.086 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 21.1 t -50.27 -47.14 55.46 Favored 'General case' 0 C--O 1.219 -0.514 0 O-C-N 123.977 0.798 . . . . 0.0 111.163 -168.852 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -52.02 -45.35 64.57 Favored 'General case' 0 CA--C 1.534 0.351 0 CA-C-N 119.022 0.828 . . . . 0.0 112.957 179.401 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -71.91 -48.69 43.75 Favored 'General case' 0 CA--C 1.533 0.326 0 CA-C-O 122.052 0.93 . . . . 0.0 109.615 179.288 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 33' ' ' ILE . . . . . . . . . . . . . 5.8 mm -51.2 -36.79 17.06 Favored 'Isoleucine or valine' 0 CA--C 1.543 0.697 0 C-N-CA 124.569 1.148 . . . . 0.0 111.542 176.841 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 82.1 m-20 -72.03 -30.95 65.7 Favored 'General case' 0 C--N 1.329 -0.294 0 O-C-N 120.589 -1.319 . . . . 0.0 110.362 -179.619 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 84.8 mt-30 -67.77 -39.71 84.1 Favored 'General case' 0 N--CA 1.454 -0.236 0 O-C-N 121.688 -0.633 . . . . 0.0 109.306 169.474 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 23.0 mt -54.36 -49.25 65.7 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.353 0 CA-C-O 118.606 -0.711 . . . . 0.0 110.095 170.117 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 4.3 mm? -54.31 -48.04 71.76 Favored 'General case' 0 CA--C 1.536 0.408 0 CA-C-N 119.965 1.257 . . . . 0.0 109.896 173.751 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -47.78 -50.28 20.52 Favored Glycine 0 CA--C 1.53 1.016 0 C-N-CA 123.467 0.556 . . . . 0.0 111.871 175.538 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -60.9 -56.87 16.01 Favored 'General case' 0 N--CA 1.446 -0.668 0 O-C-N 121.553 -0.969 . . . . 0.0 110.544 175.221 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 69.2 mtt180 -59.72 -30.13 68.6 Favored 'General case' 0 C--O 1.23 0.065 0 C-N-CA 122.767 0.427 . . . . 0.0 111.348 -169.418 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 41' ' ' TRP . . . . . . . . . . . . . 57.9 t-105 -44.18 -41.83 6.03 Favored 'General case' 0 N--CA 1.453 -0.313 0 C-N-CA 122.868 0.467 . . . . 0.0 112.04 171.004 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 42' ' ' HIS . . . . . . . . . . . . . 66.6 m80 -60.08 -20.35 57.7 Favored 'General case' 0 CA--C 1.534 0.328 0 C-N-CA 123.693 0.797 . . . . 0.0 112.618 -176.121 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -79.54 -18.78 51.09 Favored 'General case' 0 CA--C 1.535 0.379 0 C-N-CA 122.872 0.469 . . . . 0.0 112.068 176.373 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 37.7 mt -67.77 124.57 23.68 Favored 'General case' 0 CA--C 1.531 0.23 0 CA-C-N 118.958 0.799 . . . . 0.0 110.439 -178.206 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 80.3 p -57.51 159.97 4.54 Favored 'General case' 0 CA--C 1.531 0.227 0 N-CA-C 109.894 -0.41 . . . . 0.0 109.894 169.489 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 59.8 ttp180 -43.77 -46.4 7.65 Favored 'General case' 0 CA--C 1.533 0.326 0 C-N-CA 123.721 0.808 . . . . 0.0 110.992 173.02 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 49.5 mp0 -66.14 -48.93 69.21 Favored 'General case' 0 N--CA 1.452 -0.343 0 C-N-CA 123.59 0.756 . . . . 0.0 111.073 -178.681 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 35.2 mt-10 -56.02 -44.81 79.08 Favored 'General case' 0 C--O 1.226 -0.162 0 C-N-CA 120.858 -0.337 . . . . 0.0 110.526 175.764 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 71.6 mt-30 -56.98 -56.13 25.77 Favored 'General case' 0 N--CA 1.454 -0.235 0 N-CA-C 109.519 -0.549 . . . . 0.0 109.519 175.202 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -48.18 -44.16 32.36 Favored 'General case' 0 C--O 1.235 0.305 0 C-N-CA 123.471 0.708 . . . . 0.0 111.761 179.874 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -45.88 -44.02 14.13 Favored 'General case' 0 CA--C 1.53 0.206 0 C-N-CA 123.089 0.556 . . . . 0.0 111.07 176.306 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 52' ' ' TYR . . . . . 0.482 ' HB3' ' CB ' ' A' ' 9' ' ' ALA . 44.5 m-85 -63.74 -35.0 79.13 Favored 'General case' 0 N--CA 1.451 -0.412 0 N-CA-C 112.712 0.634 . . . . 0.0 112.712 -178.68 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 53' ' ' TYR . . . . . . . . . . . . . 83.8 m-85 -73.07 -39.88 65.51 Favored 'General case' 0 N--CA 1.451 -0.419 0 N-CA-C 108.465 -0.939 . . . . 0.0 108.465 -177.643 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 16.4 mm-40 -55.9 -59.04 5.45 Favored 'General case' 0 CA--C 1.534 0.359 0 N-CA-C 109.865 -0.42 . . . . 0.0 109.865 169.814 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 5.1 mp -46.31 -53.73 10.26 Favored 'General case' 0 C--O 1.226 -0.171 0 C-N-CA 123.772 0.829 . . . . 0.0 112.786 174.908 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -50.5 -48.09 57.07 Favored 'General case' 0 CA--C 1.532 0.285 0 N-CA-C 109.303 -0.629 . . . . 0.0 109.303 179.363 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 50.1 mtp180 -65.74 -39.04 90.7 Favored 'General case' 0 CA--C 1.539 0.523 0 N-CA-C 112.245 0.461 . . . . 0.0 112.245 177.387 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 28.9 mmtp -59.02 -52.12 67.12 Favored 'General case' 0 N--CA 1.462 0.142 0 O-C-N 120.74 -1.225 . . . . 0.0 109.628 176.212 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -55.53 -49.08 73.58 Favored 'General case' 0 CA--C 1.531 0.233 0 C-N-CA 123.781 0.832 . . . . 0.0 109.798 176.923 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 60' ' ' ARG . . . . . . . . . . . . . 80.3 ttt180 -52.03 -51.14 59.41 Favored 'General case' 0 CA--C 1.533 0.302 0 C-N-CA 124.004 0.922 . . . . 0.0 111.629 176.357 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 61' ' ' GLN . . . . . . . . . . . . . 30.8 mt-30 -64.28 -50.81 66.42 Favored 'General case' 0 CA--C 1.532 0.28 0 O-C-N 121.611 -0.681 . . . . 0.0 110.409 179.347 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 42.4 tp -48.37 -46.32 36.81 Favored 'General case' 0 CA--C 1.529 0.161 0 C-N-CA 123.83 0.852 . . . . 0.0 110.102 176.735 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 63' ' ' HIS . . . . . . . . . . . . . 5.7 t-80 -48.85 -37.03 18.29 Favored 'General case' 0 N--CA 1.453 -0.309 0 C-N-CA 124.868 1.267 . . . . 0.0 112.259 178.582 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 64' ' ' MET . . . . . . . . . . . . . 75.4 mmm -62.95 -34.43 77.46 Favored 'General case' 0 N--CA 1.456 -0.147 0 CA-C-N 118.087 0.403 . . . . 0.0 110.7 179.261 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 65' ' ' GLN . . . . . . . . . . . . . 57.4 mt-30 -79.17 -44.82 21.16 Favored 'General case' 0 N--CA 1.45 -0.427 0 N-CA-C 108.642 -0.873 . . . . 0.0 108.642 179.861 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 24.5 mt -53.21 -44.77 68.27 Favored 'General case' 0 CA--C 1.53 0.207 0 C-N-CA 122.563 0.345 . . . . 0.0 110.534 175.542 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 67' ' ' TYR . . . . . . . . . . . . . 97.4 m-85 -136.56 93.93 13.86 Favored Pre-proline 0 N--CA 1.452 -0.339 0 C-N-CA 123.752 0.821 . . . . 0.0 111.084 -174.085 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 68' ' ' PRO . . . . . . . . . . . . . 50.9 Cg_exo -54.93 -57.42 1.72 Allowed 'Trans proline' 0 N--CA 1.452 -0.936 0 C-N-CA 122.648 2.232 . . . . 0.0 108.948 169.188 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . -79.85 51.24 4.02 Favored Glycine 0 C--N 1.337 0.603 0 N-CA-C 111.021 -0.832 . . . . 0.0 111.021 170.048 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 70' ' ' TRP . . . . . . . . . . . . . 1.8 t90 -60.76 112.63 2.1 Favored 'General case' 0 N--CA 1.448 -0.541 0 N-CA-C 105.894 -1.891 . . . . 0.0 105.894 168.77 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 14.9 m -118.94 58.2 0.86 Allowed 'General case' 0 CA--C 1.536 0.417 0 C-N-CA 123.266 0.626 . . . . 0.0 112.683 -172.139 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -44.95 -44.24 9.66 Favored 'General case' 0 N--CA 1.475 0.775 0 CA-C-N 119.255 0.934 . . . . 0.0 111.339 178.599 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 73' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -62.07 -25.08 67.49 Favored 'General case' 0 N--CA 1.436 -1.15 0 CA-C-N 114.439 -1.255 . . . . 0.0 111.07 -169.647 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 74' ' ' ASP . . . . . . . . . . . . . 26.6 t70 -67.86 -34.88 77.55 Favored 'General case' 0 CA--C 1.531 0.216 0 O-C-N 121.995 -0.441 . . . . 0.0 111.286 174.098 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 75' ' ' ASN . . . . . . . . . . . . . 13.9 m120 -95.67 -29.11 14.48 Favored 'General case' 0 C--O 1.234 0.251 0 C-N-CA 123.714 0.806 . . . . 0.0 111.582 -170.919 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 76' ' ' TYR . . . . . . . . . . . . . 92.1 t80 -49.99 131.45 22.89 Favored 'General case' 0 N--CA 1.451 -0.421 0 CA-C-O 120.604 0.24 . . . . 0.0 111.301 176.723 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 80.22 -12.13 33.36 Favored Glycine 0 CA--C 1.531 1.057 0 CA-C-O 118.181 -1.344 . . . . 0.0 114.234 178.781 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 42.0 mmtm -80.06 -13.27 59.43 Favored 'General case' 0 CA--C 1.534 0.335 0 CA-C-N 120.049 1.924 . . . . 0.0 114.565 -169.555 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 87.8 mttt -62.88 139.78 58.76 Favored 'General case' 0 CA--C 1.533 0.314 0 CA-C-N 119.777 1.171 . . . . 0.0 107.998 169.469 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 93.9 mttt -80.11 53.48 1.74 Allowed 'General case' 0 CA--C 1.538 0.489 0 C-N-CA 124.124 0.97 . . . . 0.0 109.564 -178.549 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 20.5 ttmm -60.61 121.76 13.01 Favored 'General case' 0 CA--C 1.533 0.294 0 C-N-CA 124.504 1.121 . . . . 0.0 110.918 -169.871 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 82' ' ' ARG . . . . . . . . . . . . . 57.8 mtt85 -69.98 -41.9 73.82 Favored 'General case' 0 CA--C 1.531 0.241 0 C-N-CA 122.938 0.495 . . . . 0.0 111.579 179.951 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . 96.1 mttt -53.06 -67.97 0.21 Allowed 'General case' 0 CA--C 1.534 0.352 0 C-N-CA 123.009 0.523 . . . . 0.0 110.455 179.843 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 84' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER 62.09 70.04 0.6 Allowed 'General case' 0 N--CA 1.444 -0.75 0 C-N-CA 125.087 1.355 . . . . 0.0 108.951 179.664 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 4.8 mp0 -75.11 36.69 0.12 Allowed 'General case' 0 CA--C 1.534 0.359 0 C-N-CA 125.697 1.599 . . . . 0.0 111.436 -176.239 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 68.0 mttm . . . . . 0 N--CA 1.453 -0.276 0 O-C-N 121.88 -0.513 . . . . 0.0 109.891 170.808 . . . . . . . . 0 0 . 1 . 002 nuclear build full ' B' B ' 1' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.529 2.264 1 O4'-C1'-N19 111.929 5.162 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 2' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.414 -2.947 1 O4'-C1'-N19 111.75 4.937 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 3' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.417 -2.659 0 P-O3'-C3' 123.449 3.124 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 002 nuclear build full ' B' B ' 4' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.416 -2.709 0 P-O3'-C3' 123.341 3.034 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 002 nuclear build full ' B' B ' 5' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.409 -3.387 0 O4'-C1'-N19 110.23 3.037 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 002 nuclear build full ' B' B ' 6' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.408 -3.487 0 C5'-C4'-C3' 111.498 -2.134 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 002 nuclear build full ' B' B ' 7' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.417 -2.677 0 C4'-C3'-C2' 100.143 -3.057 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 002 nuclear build full ' B' B ' 8' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.414 -2.892 0 C3'-C2'-C1' 106.792 2.923 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 002 nuclear build full ' B' B ' 9' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.537 3.311 0 P-O3'-C3' 122.343 2.202 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 002 nuclear build full ' B' B ' 10' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.532 2.584 0 P-O3'-C3' 122.867 2.639 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 002 nuclear build full ' B' B ' 11' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.529 2.199 1 O4'-C1'-N19 112.848 6.31 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 12' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.409 -3.32 1 O4'-C4'-C3' 110.079 4.479 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 13' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.412 -3.052 0 O4'-C1'-N19 110.108 2.886 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 002 nuclear build full ' B' B ' 14' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.415 -2.783 0 O4'-C1'-N19 110.202 3.002 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 002 nuclear build full ' B' B ' 15' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.411 -3.194 0 O4'-C1'-N19 109.896 2.62 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 002 nuclear build full ' C' C ' 1' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.416 -2.723 1 O4'-C1'-N19 112.239 5.549 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 002 nuclear build full ' C' C ' 2' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.533 2.775 0 O4'-C1'-N19 110.344 3.18 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 002 nuclear build full ' C' C ' 3' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.415 -2.797 2 O4'-C1'-N19 114.876 8.845 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 002 nuclear build full ' C' C ' 4' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.535 2.951 0 O4'-C1'-N19 110.441 3.301 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 002 nuclear build full ' C' C ' 5' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.413 -3.042 0 P-O3'-C3' 122.566 2.388 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 002 nuclear build full ' C' C ' 6' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.415 -2.81 0 O4'-C1'-N19 110.925 3.906 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 002 nuclear build full ' C' C ' 7' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.416 -2.757 0 O4'-C4'-C3' 108.898 3.298 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 002 nuclear build full ' C' C ' 8' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.404 -3.777 1 C4'-C3'-C2' 98.536 -4.664 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 002 nuclear build full ' C' C ' 9' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.409 -3.357 0 C5'-C4'-C3' 111.092 -2.405 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 002 nuclear build full ' C' C ' 10' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.415 -2.841 1 O4'-C1'-N19 111.239 4.299 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 002 nuclear build full ' C' C ' 11' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.417 -2.641 0 O4'-C4'-C3' 108.012 2.412 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 002 nuclear build full ' C' C ' 12' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.537 3.232 0 O4'-C1'-N19 110.296 3.12 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 002 nuclear build full ' C' C ' 13' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.413 -2.999 0 O4'-C1'-N19 110.86 3.825 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 002 nuclear build full ' C' C ' 14' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.412 -3.127 0 O4'-C1'-N19 110.104 2.88 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 002 nuclear build full ' C' C ' 15' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.533 2.693 1 O4'-C1'-N19 111.205 4.256 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 36.2 tpp . . . . . 0 CA--C 1.532 0.286 0 CA-C-O 122.138 0.97 . . . . 0.0 109.011 . . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' 2' ' ' HIS . . . . . . . . . . . . . 96.9 m-70 -72.52 81.67 1.08 Allowed 'General case' 0 N--CA 1.452 -0.326 0 CA-C-N 115.946 -0.57 . . . . 0.0 110.266 -179.469 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . 56.5 mt -77.39 101.09 3.11 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.386 0 N-CA-C 105.718 -1.956 . . . . 0.0 105.718 178.335 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -44.84 150.13 0.39 Allowed 'General case' 0 N--CA 1.451 -0.388 0 C-N-CA 126.981 2.112 . . . . 0.0 111.692 -177.47 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 6.4 mtpm? -72.37 153.73 92.02 Favored Pre-proline 0 N--CA 1.45 -0.449 0 C-N-CA 124.433 1.093 . . . . 0.0 108.346 -178.024 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 55.9 Cg_endo -62.79 127.08 19.58 Favored 'Trans proline' 0 N--CA 1.451 -0.995 0 C-N-CA 121.579 1.519 . . . . 0.0 109.386 176.944 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 18.5 mt -64.71 170.17 4.37 Favored 'General case' 0 N--CA 1.455 -0.198 0 CA-C-O 121.261 0.553 . . . . 0.0 110.821 176.766 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 3.3 p30 -130.53 177.37 7.42 Favored 'General case' 0 N--CA 1.45 -0.434 0 C-N-CA 123.809 0.844 . . . . 0.0 110.623 179.255 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -39.01 -62.26 0.65 Allowed 'General case' 0 N--CA 1.447 -0.585 0 C-N-CA 126.133 1.773 . . . . 0.0 113.109 -178.549 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 10' ' ' PHE . . . . . . . . . . . . . 5.5 m-85 -72.24 -25.63 61.7 Favored 'General case' 0 N--CA 1.453 -0.316 0 O-C-N 121.507 -0.746 . . . . 0.0 110.979 -171.007 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 11' ' ' MET . . . . . . . . . . . . . 61.5 mmm -66.82 -38.61 86.78 Favored 'General case' 0 CA--C 1.532 0.267 0 N-CA-C 109.135 -0.691 . . . . 0.0 109.135 176.772 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 68.3 mt -68.58 -45.09 72.96 Favored 'General case' 0 CA--C 1.522 -0.109 0 O-C-N 121.721 -0.612 . . . . 0.0 110.22 172.947 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 19.2 t80 -53.67 -46.06 70.5 Favored 'General case' 0 N--CA 1.465 0.288 0 N-CA-C 109.542 -0.54 . . . . 0.0 109.542 179.458 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 14' ' ' MET . . . . . . . . . . . . . 27.2 ttm -54.29 -64.59 0.78 Allowed 'General case' 0 N--CA 1.445 -0.683 0 C-N-CA 124.145 0.978 . . . . 0.0 110.117 170.189 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 18.1 mttt -44.22 -43.1 7.0 Favored 'General case' 0 CA--C 1.536 0.429 0 CA-C-N 119.775 1.171 . . . . 0.0 112.54 -177.587 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 47.7 mt-10 -72.16 -68.05 0.5 Allowed 'General case' 0 CA--C 1.537 0.478 0 C-N-CA 123.29 0.636 . . . . 0.0 112.043 178.481 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 17' ' ' MET . . . . . . . . . . . . . 15.4 mtp -81.49 -25.66 35.83 Favored 'General case' 0 N--CA 1.457 -0.109 0 N-CA-C 114.857 1.428 . . . . 0.0 114.857 -168.816 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 8.0 tmm_? -55.97 -41.81 75.31 Favored 'General case' 0 C--N 1.324 -0.509 0 CA-C-N 119.11 0.868 . . . . 0.0 111.201 -174.693 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -54.26 -47.94 71.73 Favored 'General case' 0 CA--C 1.532 0.264 0 O-C-N 122.019 -0.426 . . . . 0.0 110.662 172.022 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 20' ' ' ASN . . . . . . . . . . . . . 3.9 t30 -58.9 -50.86 72.44 Favored 'General case' 0 N--CA 1.453 -0.302 0 N-CA-C 109.739 -0.467 . . . . 0.0 109.739 176.423 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 78.3 t -50.2 -53.04 12.87 Favored 'Isoleucine or valine' 0 N--CA 1.46 0.037 0 CA-C-N 118.928 0.785 . . . . 0.0 110.472 177.617 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 55.5 t -59.02 -37.24 66.61 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.336 0 C-N-CA 122.718 0.407 . . . . 0.0 110.577 -178.888 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -66.23 -47.82 72.55 Favored 'General case' 0 CA--C 1.538 0.506 0 O-C-N 121.847 -0.533 . . . . 0.0 112.421 173.681 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 23.9 mt-10 -70.14 -52.44 23.54 Favored 'General case' 0 CA--C 1.53 0.186 0 O-C-N 121.805 -0.559 . . . . 0.0 111.45 -174.717 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 54.7 p -87.93 176.74 7.2 Favored 'General case' 0 N--CA 1.453 -0.322 0 C-N-CA 123.898 0.879 . . . . 0.0 111.077 -169.733 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 3.9 p -81.37 -12.91 58.84 Favored 'General case' 0 N--CA 1.447 -0.604 0 C-N-CA 123.797 0.839 . . . . 0.0 111.13 169.77 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 4.1 mm? -81.79 155.82 25.24 Favored 'General case' 0 N--CA 1.447 -0.616 0 CA-C-N 119.16 0.891 . . . . 0.0 113.17 -169.957 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 1.9 mptp? -141.22 -33.98 0.5 Allowed 'General case' 0 N--CA 1.454 -0.239 0 C-N-CA 125.784 1.634 . . . . 0.0 110.805 168.557 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 2.7 mp0 -52.89 110.6 0.54 Allowed 'General case' 0 N--CA 1.45 -0.47 0 C-N-CA 125.163 1.385 . . . . 0.0 108.067 -172.489 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 12.6 t -49.71 -50.67 43.1 Favored 'General case' 0 C--O 1.22 -0.486 0 O-C-N 123.601 0.563 . . . . 0.0 111.984 -168.38 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -55.18 -40.29 70.54 Favored 'General case' 0 CA--C 1.535 0.389 0 O-C-N 120.988 -1.07 . . . . 0.0 113.202 -178.946 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -69.17 -50.04 51.22 Favored 'General case' 0 CA--C 1.53 0.179 0 O-C-N 121.326 -0.859 . . . . 0.0 109.327 176.088 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 33' ' ' ILE . . . . . . . . . . . . . 8.7 mm -53.1 -34.24 21.07 Favored 'Isoleucine or valine' 0 CA--C 1.543 0.704 0 C-N-CA 125.083 1.353 . . . . 0.0 112.094 177.667 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 82.1 m-20 -76.92 -35.63 57.2 Favored 'General case' 0 C--N 1.33 -0.243 0 C-N-CA 124.586 1.154 . . . . 0.0 109.768 -178.167 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 37.9 mt-30 -66.54 -41.0 89.38 Favored 'General case' 0 CA--C 1.535 0.371 0 O-C-N 121.841 -0.537 . . . . 0.0 110.127 169.645 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 15.3 mt -51.0 -55.02 8.35 Favored 'Isoleucine or valine' 0 CA--C 1.531 0.24 0 N-CA-C 109.002 -0.74 . . . . 0.0 109.002 169.885 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 11.8 mt -56.3 -40.99 75.23 Favored 'General case' 0 CA--C 1.533 0.32 0 CA-C-N 118.804 0.729 . . . . 0.0 111.492 177.877 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -49.14 -51.8 24.45 Favored Glycine 0 CA--C 1.531 1.084 0 N-CA-C 111.183 -0.767 . . . . 0.0 111.183 171.374 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -58.75 -55.0 40.78 Favored 'General case' 0 N--CA 1.447 -0.601 0 O-C-N 121.559 -0.965 . . . . 0.0 110.497 173.304 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 31.0 mtp180 -63.74 -22.72 67.05 Favored 'General case' 0 C--N 1.334 -0.077 0 O-C-N 121.606 -0.684 . . . . 0.0 111.413 -169.607 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 41' ' ' TRP . . . . . . . . . . . . . 63.8 t-105 -50.3 -39.18 44.79 Favored 'General case' 0 N--CA 1.452 -0.344 0 O-C-N 121.607 -0.683 . . . . 0.0 111.259 170.271 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 42' ' ' HIS . . . . . . . . . . . . . 61.3 m80 -61.38 -17.63 54.97 Favored 'General case' 0 CA--C 1.532 0.285 0 C-N-CA 123.522 0.729 . . . . 0.0 112.467 -176.379 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -79.02 -18.95 52.68 Favored 'General case' 0 CA--C 1.534 0.365 0 CA-C-N 118.116 0.417 . . . . 0.0 111.78 176.063 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 22.4 mt -70.82 125.36 26.63 Favored 'General case' 0 CA--C 1.53 0.186 0 CA-C-N 118.803 0.729 . . . . 0.0 110.927 -177.445 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 83.7 p -58.34 160.82 4.85 Favored 'General case' 0 CA--C 1.533 0.3 0 N-CA-C 109.478 -0.564 . . . . 0.0 109.478 169.094 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 83.2 mtt85 -49.79 -40.58 42.05 Favored 'General case' 0 CA--C 1.534 0.341 0 O-C-N 122.022 -0.424 . . . . 0.0 111.026 176.45 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 2.4 mp0 -64.19 -52.24 59.87 Favored 'General case' 0 N--CA 1.453 -0.303 0 C-N-CA 123.935 0.894 . . . . 0.0 110.985 178.37 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 34.4 mt-10 -56.15 -43.82 78.65 Favored 'General case' 0 C--O 1.225 -0.206 0 CA-C-O 119.576 -0.249 . . . . 0.0 110.534 177.099 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 74.2 mt-30 -56.68 -59.0 5.67 Favored 'General case' 0 N--CA 1.453 -0.277 0 N-CA-C 109.23 -0.656 . . . . 0.0 109.23 174.316 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -47.18 -43.31 21.1 Favored 'General case' 0 CA--C 1.531 0.248 0 C-N-CA 124.0 0.92 . . . . 0.0 112.16 -178.182 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 12.9 pttt -47.12 -41.35 17.32 Favored 'General case' 0 CA--C 1.534 0.36 0 C-N-CA 122.684 0.394 . . . . 0.0 111.527 177.757 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 52' ' ' TYR . . . . . . . . . . . . . 46.6 m-85 -63.59 -33.9 76.62 Favored 'General case' 0 CA--C 1.517 -0.294 0 N-CA-C 112.768 0.655 . . . . 0.0 112.768 -179.36 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 53' ' ' TYR . . . . . . . . . . . . . 41.5 m-85 -72.53 -38.94 67.9 Favored 'General case' 0 N--CA 1.451 -0.394 0 N-CA-C 107.701 -1.222 . . . . 0.0 107.701 -176.452 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 43.9 mm-40 -58.51 -62.06 2.13 Favored 'General case' 0 CA--C 1.533 0.294 0 N-CA-C 109.681 -0.488 . . . . 0.0 109.681 169.705 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 5.2 mp -46.11 -51.25 14.28 Favored 'General case' 0 C--O 1.226 -0.177 0 C-N-CA 124.112 0.965 . . . . 0.0 113.349 177.801 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -52.21 -45.89 65.42 Favored 'General case' 0 C--N 1.329 -0.289 0 C-N-CA 122.608 0.363 . . . . 0.0 110.022 177.308 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 45.2 mtt85 -67.5 -36.82 81.81 Favored 'General case' 0 CA--C 1.535 0.381 0 O-C-N 121.983 -0.448 . . . . 0.0 111.62 177.404 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 70.6 mmtt -59.3 -46.85 87.44 Favored 'General case' 0 CA--C 1.532 0.28 0 CA-C-N 119.402 1.001 . . . . 0.0 110.71 172.551 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 29.7 mm-40 -58.97 -45.28 90.94 Favored 'General case' 0 CA--C 1.53 0.208 0 C-N-CA 123.286 0.634 . . . . 0.0 110.708 175.637 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 60' ' ' ARG . . . . . . . . . . . . . 71.4 ttt-85 -55.6 -52.93 62.1 Favored 'General case' 0 CA--C 1.535 0.401 0 C-N-CA 123.668 0.787 . . . . 0.0 110.629 175.608 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 61' ' ' GLN . . . . . . . . . . . . . 33.5 mt-30 -55.18 -52.55 62.98 Favored 'General case' 0 CA--C 1.528 0.132 0 C-N-CA 123.461 0.705 . . . . 0.0 109.828 177.486 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 43.4 tp -51.9 -55.89 17.43 Favored 'General case' 0 C--O 1.225 -0.23 0 N-CA-C 109.469 -0.567 . . . . 0.0 109.469 178.253 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 63' ' ' HIS . . . . . . . . . . . . . 59.9 t-80 -47.47 -53.53 13.95 Favored 'General case' 0 CA--C 1.532 0.267 0 C-N-CA 124.108 0.963 . . . . 0.0 110.747 177.147 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 64' ' ' MET . . . . . . . . . . . . . 85.1 mtp -61.67 -30.45 70.74 Favored 'General case' 0 CA--C 1.534 0.347 0 N-CA-C 112.951 0.723 . . . . 0.0 112.951 178.582 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 65' ' ' GLN . . . . . . . . . . . . . 16.1 mt-30 -78.17 -53.5 7.29 Favored 'General case' 0 CA--C 1.528 0.128 0 CA-C-N 119.145 0.884 . . . . 0.0 109.182 -178.351 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 74.9 mt -54.6 -39.49 67.91 Favored 'General case' 0 N--CA 1.454 -0.254 0 C-N-CA 124.366 1.066 . . . . 0.0 110.496 175.284 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 67' ' ' TYR . . . . . . . . . . . . . 76.6 m-85 -131.52 86.33 49.83 Favored Pre-proline 0 CA--C 1.538 0.49 0 C-N-CA 123.915 0.886 . . . . 0.0 110.069 -177.427 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 68' ' ' PRO . . . . . . . . . . . . . 49.4 Cg_exo -42.49 98.88 0.03 OUTLIER 'Trans proline' 0 N--CA 1.461 -0.433 1 C-N-CA 125.544 4.162 . . . . 0.0 114.196 -179.787 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . 62.81 24.39 66.48 Favored Glycine 0 C--N 1.336 0.572 0 CA-C-O 119.393 -0.671 . . . . 0.0 113.331 177.921 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 70' ' ' TRP . . . . . . . . . . . . . 59.0 t-105 -62.46 118.36 7.43 Favored 'General case' 0 N--CA 1.446 -0.659 0 C-N-CA 118.904 -1.118 . . . . 0.0 108.597 173.322 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 48.9 m -86.41 148.5 25.54 Favored 'General case' 0 N--CA 1.444 -0.732 0 CA-C-N 115.042 -0.981 . . . . 0.0 108.558 -173.384 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 72' ' ' ALA . . . . . 0.439 ' HB2' " H4'" ' B' ' 11' ' ' ' DA' . . . -47.37 -39.18 14.54 Favored 'General case' 0 CA--C 1.532 0.279 0 N-CA-C 116.962 2.208 . . . . 0.0 116.962 -168.887 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 73' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -65.38 70.29 0.04 OUTLIER 'General case' 0 CA--C 1.534 0.351 0 N-CA-C 115.272 1.582 . . . . 0.0 115.272 -172.001 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 74' ' ' ASP . . . . . . . . . . . . . 5.2 p-10 -88.12 -17.79 30.23 Favored 'General case' 0 CA--C 1.532 0.262 0 C-N-CA 124.701 1.2 . . . . 0.0 110.725 169.84 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 75' ' ' ASN . . . . . . . . . . . . . 36.3 m-80 -151.98 16.93 0.67 Allowed 'General case' 0 CA--C 1.534 0.33 0 C-N-CA 124.521 1.129 . . . . 0.0 111.474 178.062 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 76' ' ' TYR . . . . . . . . . . . . . 52.3 t80 -57.4 113.21 1.67 Allowed 'General case' 0 CA--C 1.533 0.296 0 CA-C-N 120.165 1.348 . . . . 0.0 112.479 -169.789 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 87.12 -18.26 37.39 Favored Glycine 0 CA--C 1.533 1.208 0 CA-C-O 118.615 -1.103 . . . . 0.0 113.663 -177.442 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 13.7 mptt -76.2 -22.14 55.64 Favored 'General case' 0 CA--C 1.531 0.213 0 CA-C-N 118.706 1.253 . . . . 0.0 112.806 -169.894 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 78.5 mttt -57.76 132.69 54.08 Favored 'General case' 0 CA--C 1.534 0.361 0 N-CA-C 106.754 -1.573 . . . . 0.0 106.754 169.535 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 61.7 mttp -79.2 61.46 3.32 Favored 'General case' 0 CA--C 1.533 0.312 0 C-N-CA 123.73 0.812 . . . . 0.0 109.285 -175.018 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 21.3 ttmm -56.59 100.56 0.05 OUTLIER 'General case' 0 N--CA 1.45 -0.444 0 C-N-CA 125.699 1.6 . . . . 0.0 111.813 -169.285 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 82' ' ' ARG . . . . . . . . . . . . . 38.3 mtp180 -50.52 -40.27 51.17 Favored 'General case' 0 CA--C 1.536 0.411 0 C-N-CA 124.12 0.968 . . . . 0.0 111.907 176.461 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . 68.7 mttm -53.23 -41.34 65.31 Favored 'General case' 0 CA--C 1.537 0.452 0 CA-C-N 118.239 0.472 . . . . 0.0 111.405 176.503 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 84' ' ' ARG . . . . . . . . . . . . . 56.8 ttp180 -75.31 -53.69 8.34 Favored 'General case' 0 CA--C 1.528 0.131 0 N-CA-C 108.248 -1.019 . . . . 0.0 108.248 177.1 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 41.7 mt-10 -78.22 57.55 1.88 Allowed 'General case' 0 CA--C 1.534 0.33 0 C-N-CA 124.953 1.301 . . . . 0.0 109.93 -179.339 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 95.0 mttt . . . . . 0 CA--C 1.53 0.191 0 C-N-CA 124.45 1.1 . . . . 0.0 111.078 -176.587 . . . . . . . . 0 0 . 1 . 003 nuclear build full ' B' B ' 1' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.528 2.18 1 O4'-C1'-N19 111.638 4.797 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 2' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.417 -2.612 1 O4'-C1'-N19 111.969 5.211 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 3' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.531 2.448 0 P-O3'-C3' 123.465 3.137 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 003 nuclear build full ' B' B ' 4' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.413 -2.994 0 P-O3'-C3' 123.544 3.203 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 003 nuclear build full ' B' B ' 5' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.41 -3.232 0 O4'-C1'-N19 110.752 3.69 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 003 nuclear build full ' B' B ' 6' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.409 -3.347 0 C5'-C4'-C3' 111.729 -1.981 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 003 nuclear build full ' B' B ' 7' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.417 -2.623 0 C4'-C3'-C2' 100.085 -3.115 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 003 nuclear build full ' B' B ' 8' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.409 -3.388 0 C3'-C2'-C1' 106.78 2.914 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 003 nuclear build full ' B' B ' 9' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.416 -2.716 0 P-O3'-C3' 123.335 3.029 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 003 nuclear build full ' B' B ' 10' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.421 -2.304 0 P-O3'-C3' 123.626 3.272 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 003 nuclear build full ' B' B ' 11' ' ' ' DA' . . . . . 0.439 " H4'" ' HB2' ' A' ' 72' ' ' ALA . . . . . . . . 0 O4'--C4' 1.414 -2.901 3 O4'-C1'-N19 112.546 5.932 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 12' ' ' ' DG' . . . . . 0.418 " H5'" ' HB3' ' A' ' 72' ' ' ALA . . . . . . . . 0 C5'--C4' 1.535 2.939 0 C5'-C4'-C3' 109.344 -3.57 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 13' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.413 -2.987 0 O4'-C4'-C3' 108.522 2.922 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 003 nuclear build full ' B' B ' 14' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.415 -2.851 0 O4'-C1'-N19 110.467 3.334 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 003 nuclear build full ' B' B ' 15' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.41 -3.267 0 O4'-C1'-N19 109.894 2.618 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 003 nuclear build full ' C' C ' 1' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.419 -2.451 0 O4'-C1'-N19 110.944 3.929 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 003 nuclear build full ' C' C ' 2' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.533 2.791 0 O4'-C1'-C2' 103.319 -2.529 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 003 nuclear build full ' C' C ' 3' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.415 -2.795 2 O4'-C1'-N19 114.661 8.577 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 003 nuclear build full ' C' C ' 4' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.533 2.762 0 O4'-C4'-C3' 108.058 2.458 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 003 nuclear build full ' C' C ' 5' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.412 -3.134 0 O4'-C1'-C2' 103.115 -2.714 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 003 nuclear build full ' C' C ' 6' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.412 -3.091 0 O4'-C1'-C2' 102.812 -2.989 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 003 nuclear build full ' C' C ' 7' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.409 -3.372 0 O4'-C4'-C3' 108.391 2.791 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 003 nuclear build full ' C' C ' 8' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.41 -3.288 1 C4'-C3'-C2' 97.517 -5.683 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 003 nuclear build full ' C' C ' 9' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.409 -3.405 0 O4'-C1'-N19 105.87 -2.413 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 003 nuclear build full ' C' C ' 10' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.414 -2.89 0 O4'-C1'-N19 110.959 3.949 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 003 nuclear build full ' C' C ' 11' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.533 2.75 1 O4'-C1'-N19 111.955 5.193 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 003 nuclear build full ' C' C ' 12' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.417 -2.617 0 O4'-C1'-N19 110.088 2.86 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 003 nuclear build full ' C' C ' 13' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.534 2.895 0 O4'-C1'-N19 110.64 3.55 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 003 nuclear build full ' C' C ' 14' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.413 -3.032 0 P-O3'-C3' 122.684 2.487 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 003 nuclear build full ' C' C ' 15' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.415 -2.819 1 O4'-C1'-N19 111.458 4.572 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 32.2 ttm . . . . . 0 N--CA 1.451 -0.397 0 N-CA-C 109.14 -0.689 . . . . 0.0 109.14 . . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 2' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER -71.77 67.54 0.59 Allowed 'General case' 0 CA--C 1.533 0.325 0 C-N-CA 123.203 0.601 . . . . 0.0 110.975 179.079 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . 60.2 mt -79.36 118.9 27.64 Favored 'Isoleucine or valine' 0 C--O 1.236 0.364 0 N-CA-C 105.837 -1.912 . . . . 0.0 105.837 169.168 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -43.28 129.65 4.84 Favored 'General case' 0 N--CA 1.451 -0.398 0 C-N-CA 125.375 1.47 . . . . 0.0 111.686 -176.066 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 11.7 mptt -61.98 158.16 46.12 Favored Pre-proline 0 N--CA 1.453 -0.288 0 C-N-CA 124.642 1.177 . . . . 0.0 109.984 -178.889 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 66.2 Cg_endo -65.55 88.1 0.21 Allowed 'Trans proline' 0 N--CA 1.451 -1.001 0 C-N-CA 122.32 2.014 . . . . 0.0 109.308 170.609 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 9.3 mp -39.45 121.16 1.15 Allowed 'General case' 0 C--O 1.231 0.112 0 C-N-CA 124.888 1.275 . . . . 0.0 112.61 176.036 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 6.5 p30 -78.2 -179.77 6.41 Favored 'General case' 0 N--CA 1.444 -0.773 0 CA-C-O 122.367 1.079 . . . . 0.0 111.825 179.824 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 9' ' ' ALA . . . . . 0.405 ' CB ' ' HB3' ' A' ' 52' ' ' TYR . . . -38.89 -64.43 0.45 Allowed 'General case' 0 N--CA 1.446 -0.674 0 C-N-CA 126.859 2.064 . . . . 0.0 113.94 179.601 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 10' ' ' PHE . . . . . . . . . . . . . 5.8 m-85 -70.65 -25.96 63.24 Favored 'General case' 0 N--CA 1.456 -0.174 0 O-C-N 121.354 -0.841 . . . . 0.0 111.781 -169.324 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 11' ' ' MET . . . . . . . . . . . . . 69.3 mmm -63.69 -38.09 89.81 Favored 'General case' 0 CA--C 1.535 0.368 0 N-CA-C 109.082 -0.71 . . . . 0.0 109.082 176.503 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 51.7 mt -72.82 -44.24 61.69 Favored 'General case' 0 CA--C 1.52 -0.191 0 O-C-N 121.914 -0.491 . . . . 0.0 110.023 175.441 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 22.3 t80 -53.78 -47.71 70.49 Favored 'General case' 0 N--CA 1.465 0.286 0 N-CA-C 109.331 -0.618 . . . . 0.0 109.331 179.233 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 14' ' ' MET . . . . . . . . . . . . . 8.5 ttm -52.02 -66.43 0.39 Allowed 'General case' 0 N--CA 1.443 -0.804 0 C-N-CA 124.403 1.081 . . . . 0.0 109.619 169.904 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 16.1 mmtt -43.17 -44.93 5.34 Favored 'General case' 0 CA--C 1.537 0.443 0 CA-C-N 119.937 1.244 . . . . 0.0 112.657 -177.078 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 46.3 mt-10 -70.22 -66.51 0.59 Allowed 'General case' 0 CA--C 1.537 0.451 0 C-N-CA 123.137 0.575 . . . . 0.0 112.085 179.258 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 17' ' ' MET . . . . . . . . . . . . . 12.3 mtp -79.87 -27.55 40.06 Favored 'General case' 0 C--O 1.228 -0.077 0 N-CA-C 114.322 1.23 . . . . 0.0 114.322 -169.064 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 3.0 tmm_? -58.09 -36.05 72.3 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 121.432 -0.792 . . . . 0.0 111.449 -173.16 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -55.0 -49.41 71.58 Favored 'General case' 0 CA--C 1.533 0.324 0 O-C-N 121.733 -0.604 . . . . 0.0 110.582 170.283 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 20' ' ' ASN . . . . . . . . . . . . . 33.7 t30 -61.47 -46.39 90.26 Favored 'General case' 0 C--O 1.223 -0.327 0 N-CA-C 110.029 -0.36 . . . . 0.0 110.029 178.001 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 70.1 t -51.26 -54.24 12.11 Favored 'Isoleucine or valine' 0 CA--C 1.528 0.111 0 CA-C-N 118.493 0.588 . . . . 0.0 110.416 174.565 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 45.5 t -62.69 -36.33 74.74 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.385 0 C-N-CA 122.861 0.465 . . . . 0.0 110.473 -175.226 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -66.18 -47.26 74.53 Favored 'General case' 0 CA--C 1.536 0.409 0 O-C-N 122.016 -0.428 . . . . 0.0 111.822 174.114 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 9.9 mm-40 -70.29 -55.24 9.69 Favored 'General case' 0 CA--C 1.529 0.169 0 C-N-CA 124.578 1.151 . . . . 0.0 111.303 -174.006 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 54.3 p -83.63 171.72 13.0 Favored 'General case' 0 N--CA 1.452 -0.354 0 C-N-CA 123.996 0.918 . . . . 0.0 110.324 -172.913 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 8.6 p -78.8 -15.26 58.62 Favored 'General case' 0 N--CA 1.448 -0.562 0 C-N-CA 123.155 0.582 . . . . 0.0 111.435 170.848 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -84.4 156.97 21.57 Favored 'General case' 0 N--CA 1.449 -0.521 0 CA-C-O 122.025 0.917 . . . . 0.0 112.886 -169.453 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 1.5 mptp? -138.71 -40.23 0.5 Allowed 'General case' 0 N--CA 1.453 -0.319 0 C-N-CA 125.623 1.569 . . . . 0.0 109.846 172.613 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 2.8 mp0 -38.98 101.07 0.02 OUTLIER 'General case' 0 C--O 1.236 0.362 0 C-N-CA 127.222 2.209 . . . . 0.0 109.701 -177.173 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 7.7 t -50.48 -41.85 53.7 Favored 'General case' 0 N--CA 1.451 -0.383 0 N-CA-C 113.473 0.916 . . . . 0.0 113.473 -168.123 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -64.14 -33.88 76.78 Favored 'General case' 0 CA--C 1.535 0.4 0 CA-C-N 119.474 1.034 . . . . 0.0 112.865 -179.668 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -74.29 -48.61 27.38 Favored 'General case' 0 CA--C 1.529 0.157 0 O-C-N 121.292 -0.88 . . . . 0.0 109.155 174.812 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 33' ' ' ILE . . . . . . . . . . . . . 5.6 mm -54.02 -38.2 36.89 Favored 'Isoleucine or valine' 0 CA--C 1.544 0.739 0 C-N-CA 124.421 1.089 . . . . 0.0 111.516 178.441 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 4.6 m-80 -55.67 -43.55 76.46 Favored 'General case' 0 N--CA 1.463 0.191 0 O-C-N 121.121 -0.987 . . . . 0.0 111.939 171.23 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 41.8 mt-30 -69.27 -38.74 78.54 Favored 'General case' 0 N--CA 1.454 -0.235 0 O-C-N 121.741 -0.6 . . . . 0.0 110.127 178.855 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 23.3 mt -52.52 -50.62 39.0 Favored 'Isoleucine or valine' 0 C--N 1.342 0.247 0 N-CA-C 109.344 -0.613 . . . . 0.0 109.344 169.653 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 11.0 mt -60.31 -40.98 92.47 Favored 'General case' 0 CA--C 1.533 0.312 0 O-C-N 121.683 -0.635 . . . . 0.0 110.773 179.304 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -48.76 -52.36 20.87 Favored Glycine 0 CA--C 1.53 0.984 0 N-CA-C 111.114 -0.794 . . . . 0.0 111.114 170.288 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -57.27 -54.95 41.03 Favored 'General case' 0 N--CA 1.448 -0.572 0 O-C-N 121.511 -0.994 . . . . 0.0 110.456 173.217 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 91.7 mtt180 -62.02 -24.31 66.98 Favored 'General case' 0 C--O 1.23 0.074 0 O-C-N 121.763 -0.585 . . . . 0.0 111.329 -169.932 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 41' ' ' TRP . . . . . . . . . . . . . 64.7 t-105 -49.48 -39.64 34.44 Favored 'General case' 0 N--CA 1.453 -0.315 0 CA-C-N 118.712 0.687 . . . . 0.0 111.472 171.385 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 42' ' ' HIS . . . . . . . . . . . . . 65.9 m80 -61.5 -17.98 57.07 Favored 'General case' 0 N--CA 1.453 -0.296 0 C-N-CA 123.753 0.821 . . . . 0.0 112.563 -176.096 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -79.31 -18.61 52.28 Favored 'General case' 0 CA--C 1.535 0.377 0 CA-C-N 118.032 0.378 . . . . 0.0 111.909 176.1 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 21.5 mt -71.55 126.27 29.22 Favored 'General case' 0 CA--C 1.53 0.195 0 CA-C-N 118.805 0.73 . . . . 0.0 111.219 -175.943 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 81.6 p -58.29 161.22 4.47 Favored 'General case' 0 CA--C 1.531 0.244 0 N-CA-C 109.742 -0.466 . . . . 0.0 109.742 169.19 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 3.1 tmt_? -46.48 -47.29 19.29 Favored 'General case' 0 CA--C 1.534 0.339 0 C-N-CA 123.251 0.621 . . . . 0.0 109.977 174.438 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 2.7 mp0 -60.78 -52.69 64.02 Favored 'General case' 0 N--CA 1.453 -0.284 0 C-N-CA 123.87 0.868 . . . . 0.0 111.413 179.359 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 33.6 mt-10 -55.94 -43.44 77.42 Favored 'General case' 0 C--O 1.226 -0.16 0 CA-C-O 119.718 -0.182 . . . . 0.0 110.841 177.83 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 74.2 mt-30 -57.42 -58.85 6.44 Favored 'General case' 0 N--CA 1.454 -0.229 0 N-CA-C 109.13 -0.692 . . . . 0.0 109.13 174.857 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -48.49 -42.13 31.91 Favored 'General case' 0 C--O 1.234 0.284 0 C-N-CA 123.824 0.85 . . . . 0.0 112.203 -178.229 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 10.5 pttt -47.24 -40.36 16.28 Favored 'General case' 0 CA--C 1.533 0.289 0 C-N-CA 122.83 0.452 . . . . 0.0 111.406 177.026 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 52' ' ' TYR . . . . . 0.405 ' HB3' ' CB ' ' A' ' 9' ' ' ALA . 38.6 m-85 -64.32 -33.61 76.25 Favored 'General case' 0 CA--C 1.517 -0.322 0 O-C-N 121.396 -0.815 . . . . 0.0 113.152 -179.477 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 53' ' ' TYR . . . . . . . . . . . . . 31.4 m-85 -73.35 -40.16 64.64 Favored 'General case' 0 N--CA 1.451 -0.405 0 N-CA-C 107.151 -1.425 . . . . 0.0 107.151 -176.465 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 44.3 mt-10 -56.47 -60.46 3.49 Favored 'General case' 0 CA--C 1.535 0.393 0 CA-C-N 115.898 -0.592 . . . . 0.0 109.749 169.696 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 5.8 mp -46.95 -51.04 17.92 Favored 'General case' 0 C--O 1.226 -0.152 0 C-N-CA 124.531 1.132 . . . . 0.0 113.571 175.716 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -52.34 -48.77 65.3 Favored 'General case' 0 C--O 1.233 0.218 0 N-CA-C 109.017 -0.735 . . . . 0.0 109.017 177.567 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 23.1 mtp85 -61.04 -43.39 98.96 Favored 'General case' 0 C--O 1.219 -0.525 0 CA-C-O 118.41 -0.805 . . . . 0.0 112.196 173.622 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 31.7 mmtp -56.69 -47.39 79.98 Favored 'General case' 0 N--CA 1.465 0.292 0 CA-C-N 121.247 1.839 . . . . 0.0 110.986 178.124 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 36.2 mm-40 -55.61 -48.59 74.63 Favored 'General case' 0 CA--C 1.53 0.202 0 C-N-CA 122.924 0.49 . . . . 0.0 110.5 174.371 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 60' ' ' ARG . . . . . . . . . . . . . 42.8 ttt-85 -55.12 -53.5 55.12 Favored 'General case' 0 CA--C 1.539 0.539 0 C-N-CA 123.124 0.57 . . . . 0.0 111.652 176.2 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 61' ' ' GLN . . . . . . . . . . . . . 13.6 mm100 -58.49 -47.83 82.77 Favored 'General case' 0 N--CA 1.454 -0.251 0 C-N-CA 124.851 1.26 . . . . 0.0 109.458 -177.838 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 53.5 tp -52.78 -52.69 55.63 Favored 'General case' 0 N--CA 1.456 -0.163 0 N-CA-C 109.188 -0.671 . . . . 0.0 109.188 172.453 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 63' ' ' HIS . . . . . . . . . . . . . 1.9 t-80 -52.13 -41.5 62.55 Favored 'General case' 0 N--CA 1.454 -0.263 0 C-N-CA 124.395 1.078 . . . . 0.0 111.876 -178.516 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 64' ' ' MET . . . . . . . . . . . . . 93.0 mtp -54.8 -38.2 67.02 Favored 'General case' 0 CA--C 1.534 0.34 0 CA-C-N 118.5 0.591 . . . . 0.0 111.289 174.983 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 65' ' ' GLN . . . . . . . . . . . . . 81.3 mt-30 -78.45 -43.75 26.4 Favored 'General case' 0 N--CA 1.455 -0.204 0 N-CA-C 108.885 -0.783 . . . . 0.0 108.885 -177.122 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 31.8 mt -56.6 -44.74 81.42 Favored 'General case' 0 CA--C 1.533 0.29 0 N-CA-C 110.406 -0.22 . . . . 0.0 110.406 176.899 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 67' ' ' TYR . . . . . . . . . . . . . 98.7 m-85 -142.13 83.88 12.08 Favored Pre-proline 0 CA--C 1.532 0.263 0 C-N-CA 124.321 1.048 . . . . 0.0 110.605 -171.889 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 68' ' ' PRO . . . . . . . . . . . . . 71.9 Cg_exo -49.33 -48.97 16.77 Favored 'Trans proline' 0 N--CA 1.457 -0.672 0 C-N-CA 123.565 2.843 . . . . 0.0 111.443 173.823 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . -98.63 46.01 1.56 Allowed Glycine 0 C--N 1.338 0.67 0 C-N-CA 123.8 0.714 . . . . 0.0 111.564 174.148 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 70' ' ' TRP . . . . . . . . . . . . . 37.0 t90 -57.88 134.97 56.78 Favored 'General case' 0 N--CA 1.452 -0.358 0 N-CA-C 107.321 -1.363 . . . . 0.0 107.321 168.332 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 66.4 m -70.75 105.73 3.3 Favored 'General case' 0 N--CA 1.443 -0.822 0 C-N-CA 119.566 -0.854 . . . . 0.0 112.463 -179.42 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 72' ' ' ALA . . . . . 0.813 ' HB1' " H5'" ' B' ' 12' ' ' ' DG' . . . -60.86 132.8 55.04 Favored 'General case' 0 N--CA 1.446 -0.631 1 N-CA-C 99.459 -4.274 . . . . 0.0 99.459 164.002 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 73' ' ' ARG . . . . . 0.686 ' H ' ' CD ' ' A' ' 73' ' ' ARG 0.373 0.0 OUTLIER -33.1 69.28 0.0 OUTLIER 'General case' 0 C--N 1.318 -0.794 0 N-CA-C 121.179 3.77 . . . . 0.0 121.179 -160.538 . . . . . . . . 4 4 . 1 . 004 nuclear build full ' A' A ' 74' ' ' ASP . . . . . . . . . . . . . 16.9 t70 -59.98 -24.7 64.64 Favored 'General case' 0 CA--C 1.544 0.715 0 N-CA-C 107.394 -1.336 . . . . 0.0 107.394 164.963 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 75' ' ' ASN . . . . . . . . . . . . . 36.3 m-80 -78.58 4.05 14.5 Favored 'General case' 0 CA--C 1.535 0.377 0 C-N-CA 126.178 1.791 . . . . 0.0 112.755 178.731 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 76' ' ' TYR . . . . . . . . . . . . . 8.5 t80 -54.77 126.9 26.01 Favored 'General case' 0 CA--C 1.532 0.276 0 CA-C-N 119.515 1.052 . . . . 0.0 110.813 -175.7 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 69.19 9.62 60.86 Favored Glycine 0 CA--C 1.535 1.306 0 CA-C-O 118.344 -1.253 . . . . 0.0 114.75 -178.628 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 60.1 mttm -78.38 -20.64 50.8 Favored 'General case' 0 CA--C 1.532 0.275 0 CA-C-N 120.28 2.04 . . . . 0.0 112.441 176.146 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 45.8 mttm -58.58 142.93 47.82 Favored 'General case' 0 CA--C 1.54 0.591 0 CA-C-N 118.979 0.809 . . . . 0.0 109.423 170.312 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 35.7 mmtm -73.04 67.73 0.89 Allowed 'General case' 0 N--CA 1.468 0.438 0 C-N-CA 124.949 1.299 . . . . 0.0 108.763 176.229 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 31.1 tttp -62.75 68.86 0.02 OUTLIER 'General case' 0 N--CA 1.447 -0.583 0 N-CA-C 119.085 2.995 . . . . 0.0 119.085 -166.667 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 82' ' ' ARG . . . . . . . . . . . . . 96.5 mtt180 -65.71 -46.03 80.5 Favored 'General case' 0 CA--C 1.542 0.65 0 N-CA-C 103.448 -2.797 . . . . 0.0 103.448 165.232 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . 38.6 mmtm -133.28 -46.94 0.83 Allowed 'General case' 0 CA--C 1.538 0.491 0 C-N-CA 129.655 3.182 . . . . 0.0 108.142 168.258 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 84' ' ' ARG . . . . . 0.42 ' CZ ' ' H62' ' C' ' 9' ' ' ' DA' . 42.1 mtp85 -157.31 -144.26 0.13 Allowed 'General case' 0 CA--C 1.541 0.62 0 C-N-CA 128.165 2.586 . . . . 0.0 107.87 -173.415 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 31.3 tt0 -133.82 -1.52 3.03 Favored 'General case' 0 CA--C 1.533 0.323 0 C-N-CA 124.885 1.274 . . . . 0.0 112.248 172.364 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 48.3 mtmt . . . . . 0 C--O 1.234 0.26 0 C-N-CA 125.697 1.599 . . . . 0.0 108.358 -177.683 . . . . . . . . 0 0 . 1 . 004 nuclear build full ' B' B ' 1' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.53 2.414 1 O4'-C1'-N19 112.238 5.547 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 2' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.532 2.615 0 P-O3'-C3' 123.564 3.22 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 004 nuclear build full ' B' B ' 3' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.53 2.327 1 O4'-C1'-N19 111.774 4.968 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 4' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.419 -2.486 1 O4'-C1'-N19 111.822 5.027 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 5' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.409 -3.389 0 C4'-C3'-C2' 99.628 -3.572 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 004 nuclear build full ' B' B ' 6' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.413 -3.022 0 O4'-C1'-N19 109.887 2.609 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 004 nuclear build full ' B' B ' 7' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.418 -2.579 0 C4'-C3'-C2' 100.138 -3.062 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 004 nuclear build full ' B' B ' 8' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.408 -3.496 0 O4'-C4'-C3' 108.727 3.127 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 004 nuclear build full ' B' B ' 9' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.418 -2.512 0 P-O3'-C3' 123.314 3.012 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 004 nuclear build full ' B' B ' 10' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.533 2.782 0 O4'-C4'-C3' 108.416 2.816 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 004 nuclear build full ' B' B ' 11' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.421 -2.267 1 O4'-C1'-N19 113.592 7.24 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 12' ' ' ' DG' . . . . . 0.813 " H5'" ' HB1' ' A' ' 72' ' ' ALA . . . . . . . . 0 O4'--C4' 1.415 -2.818 2 P-O3'-C3' 125.526 4.855 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 13' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.411 -3.165 1 O4'-C1'-N19 112.03 5.288 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 14' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.416 -2.696 0 O4'-C1'-N19 110.35 3.187 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 004 nuclear build full ' B' B ' 15' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.411 -3.146 0 O4'-C1'-N19 109.953 2.692 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 004 nuclear build full ' C' C ' 1' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.416 -2.744 1 O4'-C1'-N19 112.058 5.323 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 004 nuclear build full ' C' C ' 2' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.532 2.591 0 O4'-C1'-N19 110.378 3.223 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 004 nuclear build full ' C' C ' 3' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.415 -2.827 2 O4'-C1'-N19 114.641 8.551 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 004 nuclear build full ' C' C ' 4' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.532 2.649 0 O4'-C4'-C3' 108.124 2.524 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 004 nuclear build full ' C' C ' 5' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.411 -3.203 1 O4'-C1'-N19 112.858 6.323 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 004 nuclear build full ' C' C ' 6' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.418 -2.529 0 O4'-C1'-C2' 102.072 -3.661 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 004 nuclear build full ' C' C ' 7' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.537 3.287 0 O4'-C4'-C3' 108.582 2.982 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 004 nuclear build full ' C' C ' 8' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.407 -3.521 0 C4'-C3'-C2' 99.939 -3.261 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 004 nuclear build full ' C' C ' 9' ' ' ' DA' . . . . . 0.42 ' H62' ' CZ ' ' A' ' 84' ' ' ARG . . . . . . . . 0 O4'--C4' 1.41 -3.247 0 C5'-C4'-C3' 110.699 -2.668 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 004 nuclear build full ' C' C ' 10' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.415 -2.832 0 O4'-C1'-N19 110.09 2.862 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 004 nuclear build full ' C' C ' 11' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.536 3.106 0 O4'-C4'-C3' 108.165 2.565 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 004 nuclear build full ' C' C ' 12' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.534 2.818 0 O3'-P-O5' 98.0 -3.158 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 004 nuclear build full ' C' C ' 13' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.415 -2.825 0 O4'-C1'-N19 110.17 2.963 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 004 nuclear build full ' C' C ' 14' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.412 -3.078 0 O4'-C1'-C2' 102.954 -2.86 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 004 nuclear build full ' C' C ' 15' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.531 2.548 1 O4'-C1'-N19 111.582 4.728 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 22.8 ptm . . . . . 0 CA--C 1.532 0.286 0 CA-C-O 121.938 0.875 . . . . 0.0 110.201 . . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' 2' ' ' HIS . . . . . . . . . . . . . 2.0 m-70 -72.04 101.16 2.66 Favored 'General case' 0 N--CA 1.454 -0.268 0 N-CA-C 109.178 -0.675 . . . . 0.0 109.178 177.059 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 3' ' ' ILE . . . . . 0.549 HD13 ' CD1' ' A' ' 67' ' ' TYR . 6.7 mm -79.81 97.34 2.77 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.369 0 C-N-CA 124.479 1.112 . . . . 0.0 108.02 178.715 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 6.7 mmtp -70.0 101.27 1.75 Allowed 'General case' 0 N--CA 1.451 -0.376 0 N-CA-C 108.173 -1.047 . . . . 0.0 108.173 171.676 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 14.1 mptt -45.96 149.18 1.25 Allowed Pre-proline 0 CA--C 1.536 0.436 0 C-N-CA 125.128 1.371 . . . . 0.0 110.418 179.782 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 60.9 Cg_endo -65.93 96.34 0.31 Allowed 'Trans proline' 0 N--CA 1.449 -1.089 0 C-N-CA 122.426 2.084 . . . . 0.0 109.202 -179.272 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 19.4 mt -39.66 108.42 0.09 Allowed 'General case' 0 N--CA 1.454 -0.242 0 C-N-CA 126.325 1.85 . . . . 0.0 112.029 -176.15 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 4.2 p30 -66.07 173.19 3.2 Favored 'General case' 0 N--CA 1.444 -0.728 0 CA-C-O 122.415 1.102 . . . . 0.0 110.88 177.067 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 9' ' ' ALA . . . . . 0.441 ' CB ' ' HB3' ' A' ' 52' ' ' TYR . . . -38.75 -58.22 1.1 Allowed 'General case' 0 N--CA 1.444 -0.728 0 C-N-CA 126.295 1.838 . . . . 0.0 113.307 -178.729 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 10' ' ' PHE . . . . . . . . . . . . . 5.2 m-85 -71.33 -27.16 63.18 Favored 'General case' 0 N--CA 1.451 -0.394 0 O-C-N 121.53 -0.731 . . . . 0.0 111.055 -170.839 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 11' ' ' MET . . . . . . . . . . . . . 64.6 mmm -68.19 -43.52 77.93 Favored 'General case' 0 N--CA 1.453 -0.309 0 N-CA-C 108.387 -0.968 . . . . 0.0 108.387 178.705 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 67.3 mt -63.09 -44.79 94.76 Favored 'General case' 0 C--N 1.332 -0.18 0 O-C-N 121.482 -0.761 . . . . 0.0 110.16 173.747 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 33.8 t80 -52.79 -46.8 67.77 Favored 'General case' 0 C--O 1.232 0.16 0 N-CA-C 109.724 -0.473 . . . . 0.0 109.724 178.935 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 14' ' ' MET . . . . . . . . . . . . . 28.8 ttm -52.95 -63.64 1.08 Allowed 'General case' 0 N--CA 1.448 -0.556 0 C-N-CA 123.743 0.817 . . . . 0.0 110.124 171.575 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 4.1 mtpm? -48.31 -42.67 31.68 Favored 'General case' 0 CA--C 1.535 0.4 0 CA-C-N 119.096 0.862 . . . . 0.0 111.921 -176.155 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 48.9 mt-10 -70.43 -69.86 0.33 Allowed 'General case' 0 CA--C 1.536 0.434 0 C-N-CA 123.139 0.576 . . . . 0.0 112.025 179.957 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 17' ' ' MET . . . . . . . . . . . . . 13.4 mtp -79.91 -22.32 42.89 Favored 'General case' 0 C--O 1.23 0.077 0 N-CA-C 114.448 1.277 . . . . 0.0 114.448 -169.465 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 21.2 ttp85 -57.23 -38.32 73.61 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 119.163 0.892 . . . . 0.0 112.185 -171.585 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -52.4 -46.92 66.48 Favored 'General case' 0 CA--C 1.533 0.308 0 O-C-N 121.369 -0.832 . . . . 0.0 110.688 173.271 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 20' ' ' ASN . . . . . . . . . . . . . 12.4 t30 -62.34 -49.88 73.83 Favored 'General case' 0 N--CA 1.451 -0.382 0 N-CA-C 109.732 -0.47 . . . . 0.0 109.732 177.308 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 21' ' ' VAL . . . . . 0.421 HG13 HG21 ' A' ' 36' ' ' ILE . 43.8 t -49.0 -54.6 5.01 Favored 'Isoleucine or valine' 0 N--CA 1.461 0.099 0 CA-C-N 117.962 0.346 . . . . 0.0 110.918 176.177 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 43.1 t -56.3 -49.66 75.49 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.469 0 N-CA-C 108.085 -1.08 . . . . 0.0 108.085 -175.809 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -53.83 -52.76 59.34 Favored 'General case' 0 CA--C 1.537 0.467 0 N-CA-C 112.175 0.435 . . . . 0.0 112.175 175.159 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 41.1 mt-10 -62.03 -54.92 34.74 Favored 'General case' 0 CA--C 1.532 0.268 0 CA-C-O 121.434 0.635 . . . . 0.0 111.933 -177.013 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 87.3 p -79.71 -25.1 41.27 Favored 'General case' 0 CA--C 1.514 -0.412 0 N-CA-C 115.416 1.636 . . . . 0.0 115.416 -167.963 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 17.6 p 64.71 6.63 3.36 Favored 'General case' 0 C--N 1.32 -0.714 0 C-N-CA 127.03 2.132 . . . . 0.0 112.226 -168.814 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -79.43 159.13 27.16 Favored 'General case' 0 C--N 1.343 0.323 0 CA-C-N 118.668 0.667 . . . . 0.0 109.618 169.117 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 8.3 mptt -132.8 -44.44 0.88 Allowed 'General case' 0 N--CA 1.448 -0.526 0 C-N-CA 124.223 1.009 . . . . 0.0 109.294 176.411 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 2.7 mp0 -38.95 102.32 0.02 OUTLIER 'General case' 0 N--CA 1.452 -0.337 0 C-N-CA 127.584 2.354 . . . . 0.0 109.285 -174.728 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 9.3 t -52.62 -38.26 59.89 Favored 'General case' 0 N--CA 1.449 -0.518 0 N-CA-C 113.179 0.807 . . . . 0.0 113.179 -168.042 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -63.45 -37.73 88.41 Favored 'General case' 0 CA--C 1.535 0.375 0 CA-C-N 119.603 1.092 . . . . 0.0 112.504 178.939 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -69.43 -49.21 57.26 Favored 'General case' 0 N--CA 1.462 0.174 0 CA-C-O 122.447 1.118 . . . . 0.0 109.021 175.444 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 33' ' ' ILE . . . . . . . . . . . . . 4.6 mm -59.63 -35.72 61.16 Favored 'Isoleucine or valine' 0 CA--C 1.542 0.66 0 C-N-CA 124.725 1.21 . . . . 0.0 111.543 -177.356 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 3.8 m-80 -58.24 -45.91 86.92 Favored 'General case' 0 N--CA 1.462 0.141 0 C-N-CA 124.283 1.033 . . . . 0.0 111.351 169.816 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 40.1 mt-30 -66.22 -40.63 90.42 Favored 'General case' 0 N--CA 1.454 -0.245 0 O-C-N 121.874 -0.516 . . . . 0.0 110.441 178.142 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 36' ' ' ILE . . . . . 0.421 HG21 HG13 ' A' ' 21' ' ' VAL . 45.1 mt -51.21 -54.64 10.35 Favored 'Isoleucine or valine' 0 C--N 1.341 0.217 0 N-CA-C 109.627 -0.509 . . . . 0.0 109.627 170.605 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 16.2 mt -55.72 -44.58 77.63 Favored 'General case' 0 CA--C 1.534 0.361 0 CA-C-N 118.574 0.624 . . . . 0.0 111.433 176.601 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -49.65 -48.71 35.48 Favored Glycine 0 CA--C 1.529 0.939 0 N-CA-C 111.232 -0.747 . . . . 0.0 111.232 176.08 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -60.17 -62.66 1.71 Allowed 'General case' 0 N--CA 1.448 -0.549 0 O-C-N 122.217 -0.578 . . . . 0.0 110.272 172.28 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 51.1 mtt180 -54.72 -32.45 59.68 Favored 'General case' 0 C--N 1.338 0.091 0 C-N-CA 123.716 0.806 . . . . 0.0 112.893 -169.397 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 41' ' ' TRP . . . . . . . . . . . . . 55.8 t-105 -40.59 -43.37 1.88 Allowed 'General case' 0 CA--C 1.531 0.236 0 C-N-CA 123.382 0.673 . . . . 0.0 112.247 172.803 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 42' ' ' HIS . . . . . . . . . . . . . 75.6 m80 -59.1 -19.88 48.44 Favored 'General case' 0 CA--C 1.533 0.323 0 N-CA-C 112.873 0.694 . . . . 0.0 112.873 -174.713 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -79.1 -19.24 51.69 Favored 'General case' 0 CA--C 1.534 0.343 0 C-N-CA 123.071 0.548 . . . . 0.0 111.9 177.299 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 40.3 mt -62.87 128.54 36.36 Favored 'General case' 0 C--O 1.234 0.265 0 CA-C-N 118.943 0.792 . . . . 0.0 109.993 178.75 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 80.2 p -58.69 155.4 12.73 Favored 'General case' 0 N--CA 1.453 -0.277 0 N-CA-C 108.95 -0.759 . . . . 0.0 108.95 169.811 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -50.53 -35.68 30.67 Favored 'General case' 0 CA--C 1.534 0.33 0 O-C-N 121.731 -0.606 . . . . 0.0 110.957 175.45 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 50.1 mp0 -67.37 -50.05 61.39 Favored 'General case' 0 N--CA 1.452 -0.343 0 C-N-CA 123.563 0.745 . . . . 0.0 110.882 176.262 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 43.4 mt-10 -56.19 -43.91 78.92 Favored 'General case' 0 CA--C 1.531 0.22 0 O-C-N 122.007 -0.433 . . . . 0.0 110.581 175.189 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 71.8 mt-30 -56.78 -55.37 35.16 Favored 'General case' 0 N--CA 1.454 -0.231 0 N-CA-C 109.323 -0.621 . . . . 0.0 109.323 174.992 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -48.41 -44.75 35.26 Favored 'General case' 0 CA--C 1.534 0.355 0 C-N-CA 123.006 0.522 . . . . 0.0 111.66 178.778 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 5.5 pttt -45.28 -44.82 11.66 Favored 'General case' 0 CA--C 1.53 0.204 0 C-N-CA 123.435 0.694 . . . . 0.0 111.164 174.871 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 52' ' ' TYR . . . . . 0.441 ' HB3' ' CB ' ' A' ' 9' ' ' ALA . 40.0 m-85 -64.2 -34.81 78.94 Favored 'General case' 0 CA--C 1.514 -0.416 0 N-CA-C 112.832 0.678 . . . . 0.0 112.832 -179.028 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 53' ' ' TYR . . . . . . . . . . . . . 78.4 m-85 -74.19 -39.41 63.19 Favored 'General case' 0 N--CA 1.452 -0.361 0 N-CA-C 108.802 -0.814 . . . . 0.0 108.802 -177.999 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 42.4 mt-10 -54.76 -60.66 3.06 Favored 'General case' 0 CA--C 1.536 0.435 0 N-CA-C 109.416 -0.587 . . . . 0.0 109.416 169.62 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 5.6 mp -47.71 -50.86 23.93 Favored 'General case' 0 C--O 1.225 -0.208 0 C-N-CA 124.108 0.963 . . . . 0.0 113.399 175.405 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -53.16 -44.88 68.17 Favored 'General case' 0 CA--C 1.531 0.236 0 N-CA-C 109.645 -0.502 . . . . 0.0 109.645 178.48 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 77.3 mtp180 -65.5 -39.94 92.46 Favored 'General case' 0 CA--C 1.537 0.452 0 O-C-N 121.925 -0.485 . . . . 0.0 111.445 176.025 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 71.3 mmtt -56.5 -48.04 78.02 Favored 'General case' 0 CA--C 1.532 0.251 0 O-C-N 121.066 -1.021 . . . . 0.0 110.68 174.025 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 27.7 mm-40 -54.44 -49.76 69.24 Favored 'General case' 0 CA--C 1.531 0.236 0 C-N-CA 123.053 0.541 . . . . 0.0 110.039 173.022 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 60' ' ' ARG . . . . . . . . . . . . . 57.7 ttt-85 -51.51 -48.66 62.87 Favored 'General case' 0 CA--C 1.533 0.326 0 C-N-CA 124.456 1.103 . . . . 0.0 111.453 178.495 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 61' ' ' GLN . . . . . . . . . . . . . 36.0 mt-30 -64.73 -54.93 23.75 Favored 'General case' 0 CA--C 1.531 0.234 0 C-N-CA 122.951 0.5 . . . . 0.0 110.157 177.041 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 54.5 tp -47.98 -43.27 29.48 Favored 'General case' 0 CA--C 1.531 0.243 0 C-N-CA 124.233 1.013 . . . . 0.0 110.637 179.568 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 63' ' ' HIS . . . . . . . . . . . . . 3.1 t-80 -47.72 -38.05 14.45 Favored 'General case' 0 N--CA 1.455 -0.215 0 C-N-CA 125.223 1.409 . . . . 0.0 112.402 177.797 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 64' ' ' MET . . . . . . . . . . . . . 0.1 OUTLIER -60.21 -34.39 73.58 Favored 'General case' 0 N--CA 1.455 -0.188 0 C-N-CA 123.214 0.605 . . . . 0.0 110.586 179.613 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 65' ' ' GLN . . . . . . . . . . . . . 15.0 mt-30 -79.52 -45.33 19.49 Favored 'General case' 0 N--CA 1.45 -0.47 0 N-CA-C 109.23 -0.656 . . . . 0.0 109.23 177.334 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 31.3 mt -54.4 -41.49 69.32 Favored 'General case' 0 CA--C 1.531 0.24 0 C-N-CA 122.368 0.267 . . . . 0.0 110.984 178.576 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 67' ' ' TYR . . . . . 0.549 ' CD1' HD13 ' A' ' 3' ' ' ILE . 51.7 m-85 -135.84 97.5 12.5 Favored Pre-proline 0 N--CA 1.453 -0.288 0 C-N-CA 123.889 0.876 . . . . 0.0 109.585 -179.009 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 68' ' ' PRO . . . . . . . . . . . . . 50.7 Cg_exo -52.19 -61.62 0.48 Allowed 'Trans proline' 0 N--CA 1.455 -0.76 0 C-N-CA 123.218 2.612 . . . . 0.0 109.122 169.776 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . -80.89 66.3 3.79 Favored Glycine 0 C--N 1.338 0.657 0 N-CA-C 107.445 -2.262 . . . . 0.0 107.445 168.709 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 70' ' ' TRP . . . . . . . . . . . . . 7.4 t90 -59.55 101.47 0.11 Allowed 'General case' 0 N--CA 1.442 -0.841 0 N-CA-C 107.319 -1.363 . . . . 0.0 107.319 169.41 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 15.1 m -119.22 57.13 0.9 Allowed 'General case' 0 CA--C 1.54 0.583 0 CA-C-O 118.674 -0.679 . . . . 0.0 111.692 -172.478 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -41.49 -45.81 3.31 Favored 'General case' 0 N--CA 1.479 0.995 0 CA-C-N 119.933 1.242 . . . . 0.0 112.111 177.906 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 73' ' ' ARG . . . . . 0.641 ' H ' ' CD ' ' A' ' 73' ' ' ARG . 0.0 OUTLIER -49.7 -34.18 18.01 Favored 'General case' 0 N--CA 1.444 -0.773 0 C-N-CA 127.917 2.487 . . . . 0.0 111.993 -176.952 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 74' ' ' ASP . . . . . . . . . . . . . 10.5 t70 -63.71 -41.92 98.03 Favored 'General case' 0 CA--C 1.531 0.249 0 O-C-N 121.98 -0.45 . . . . 0.0 111.219 175.258 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 75' ' ' ASN . . . . . . . . . . . . . 1.0 OUTLIER -84.62 -32.81 23.52 Favored 'General case' 0 CA--C 1.529 0.151 0 C-N-CA 123.712 0.805 . . . . 0.0 110.744 -173.892 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 76' ' ' TYR . . . . . . . . . . . . . 86.1 t80 -50.42 123.89 9.52 Favored 'General case' 0 CA--C 1.534 0.35 0 C-N-CA 122.651 0.38 . . . . 0.0 111.946 -175.689 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 88.87 -10.97 70.51 Favored Glycine 0 CA--C 1.531 1.043 0 CA-C-O 118.596 -1.114 . . . . 0.0 114.207 178.145 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 11.8 mptt -81.74 -14.44 56.48 Favored 'General case' 0 CA--C 1.537 0.459 0 CA-C-N 119.935 1.867 . . . . 0.0 113.484 -169.931 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 58.0 mttm -63.65 133.12 53.09 Favored 'General case' 0 CA--C 1.534 0.353 0 CA-C-N 120.137 1.335 . . . . 0.0 107.941 169.656 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 36.4 mtmm -76.96 69.61 3.28 Favored 'General case' 0 CA--C 1.535 0.391 0 CA-C-O 121.479 0.656 . . . . 0.0 110.206 -175.877 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 22.0 ttmm -68.1 82.72 0.22 Allowed 'General case' 0 CA--C 1.535 0.37 0 C-N-CA 124.435 1.094 . . . . 0.0 112.007 -170.732 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 82' ' ' ARG . . . . . . . . . . . . . 57.0 mtt180 -39.16 -45.1 1.27 Allowed 'General case' 0 N--CA 1.466 0.334 0 C-N-CA 126.015 1.726 . . . . 0.0 112.173 171.99 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . 58.3 tttm -60.75 -31.53 70.86 Favored 'General case' 0 CA--C 1.533 0.309 0 C-N-CA 124.295 1.038 . . . . 0.0 111.873 -176.368 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 84' ' ' ARG . . . . . . . . . . . . . 80.9 mtp180 65.61 -64.54 0.19 Allowed 'General case' 0 CA--C 1.53 0.192 0 C-N-CA 126.643 1.977 . . . . 0.0 111.071 -172.042 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 41.8 mt-10 -72.3 74.81 1.0 Allowed 'General case' 0 N--CA 1.451 -0.383 0 C-N-CA 124.31 1.044 . . . . 0.0 110.76 -179.206 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 CA--C 1.528 0.125 0 C-N-CA 123.626 0.77 . . . . 0.0 110.594 169.851 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 1' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.528 2.106 1 O4'-C1'-N19 111.981 5.226 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 2' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.414 -2.91 0 O4'-C1'-C2' 102.69 -3.1 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 005 nuclear build full ' B' B ' 3' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.415 -2.811 0 P-O3'-C3' 123.667 3.306 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 005 nuclear build full ' B' B ' 4' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.416 -2.74 0 P-O3'-C3' 123.691 3.326 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 005 nuclear build full ' B' B ' 5' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.41 -3.248 0 C4'-C3'-C2' 100.092 -3.108 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 005 nuclear build full ' B' B ' 6' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.412 -3.065 0 O4'-C1'-N19 109.26 1.826 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 005 nuclear build full ' B' B ' 7' ' ' ' DT' . . . . . 0.426 " H2'" ' C6 ' ' B' ' 8' ' ' ' DT' . . . . . . . . 0 C5'--C4' 1.532 2.567 0 C4'-C3'-C2' 100.259 -2.941 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 8' ' ' ' DT' . . . . . 0.426 ' C6 ' " H2'" ' B' ' 7' ' ' ' DT' . . . . . . . . 0 O4'--C4' 1.412 -3.059 0 C3'-C2'-C1' 106.793 2.923 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 9' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.536 3.144 0 P-O3'-C3' 122.312 2.177 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 005 nuclear build full ' B' B ' 10' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.532 2.595 0 P-O3'-C3' 122.599 2.416 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 005 nuclear build full ' B' B ' 11' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.421 -2.241 1 O4'-C1'-N19 112.379 5.724 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 12' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.414 -2.881 4 O4'-C1'-N19 111.696 4.87 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 13' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.411 -3.158 1 O4'-C1'-N19 111.158 4.197 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 14' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.416 -2.736 0 O4'-C1'-N19 110.304 3.13 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 005 nuclear build full ' B' B ' 15' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.411 -3.181 0 O4'-C1'-N19 109.977 2.721 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 005 nuclear build full ' C' C ' 1' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.415 -2.804 1 O4'-C1'-N19 112.229 5.536 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 005 nuclear build full ' C' C ' 2' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.533 2.727 0 O4'-C1'-N19 110.289 3.111 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 005 nuclear build full ' C' C ' 3' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.414 -2.904 2 O4'-C1'-N19 114.672 8.59 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 005 nuclear build full ' C' C ' 4' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.533 2.779 0 O4'-C1'-N19 110.173 2.967 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 005 nuclear build full ' C' C ' 5' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.417 -2.608 0 O4'-C1'-N19 110.449 3.311 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 005 nuclear build full ' C' C ' 6' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.417 -2.634 0 O4'-C1'-C2' 102.637 -3.148 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 005 nuclear build full ' C' C ' 7' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.413 -2.973 0 O4'-C4'-C3' 108.867 3.267 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 005 nuclear build full ' C' C ' 8' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.406 -3.635 0 C4'-C3'-C2' 99.487 -3.713 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 005 nuclear build full ' C' C ' 9' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.411 -3.225 0 C5'-C4'-C3' 111.194 -2.337 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 005 nuclear build full ' C' C ' 10' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.415 -2.853 1 O4'-C1'-N19 111.316 4.395 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 005 nuclear build full ' C' C ' 11' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.534 2.918 0 O4'-C4'-C3' 108.06 2.46 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 005 nuclear build full ' C' C ' 12' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.533 2.787 0 O3'-P-O5' 98.988 -2.638 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 005 nuclear build full ' C' C ' 13' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.414 -2.91 1 O4'-C1'-N19 111.405 4.507 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 005 nuclear build full ' C' C ' 14' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.411 -3.173 0 O4'-C1'-N19 110.236 3.046 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 005 nuclear build full ' C' C ' 15' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.534 2.816 1 O4'-C1'-N19 112.213 5.516 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 14.4 tpt . . . . . 0 N--CA 1.452 -0.338 0 CA-C-O 121.047 0.451 . . . . 0.0 109.785 . . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A ' 2' ' ' HIS . . . . . . . . . . . . . 4.8 m-70 -72.37 73.04 0.98 Allowed 'General case' 0 N--CA 1.455 -0.214 0 C-N-CA 123.858 0.863 . . . . 0.0 109.727 176.211 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . 62.9 mt -78.4 115.52 20.64 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.253 0 N-CA-C 106.676 -1.602 . . . . 0.0 106.676 175.715 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -55.69 153.82 7.62 Favored 'General case' 0 CA--C 1.536 0.425 0 C-N-CA 124.759 1.224 . . . . 0.0 111.665 -173.178 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 14.3 mptt -77.58 159.41 77.04 Favored Pre-proline 0 CA--C 1.532 0.281 0 C-N-CA 124.186 0.994 . . . . 0.0 109.874 179.116 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 74.4 Cg_endo -68.26 92.35 0.4 Allowed 'Trans proline' 0 N--CA 1.45 -1.056 0 C-N-CA 122.288 1.992 . . . . 0.0 108.975 170.263 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 9.5 mp -39.72 118.75 0.89 Allowed 'General case' 0 CA--C 1.53 0.182 0 C-N-CA 124.877 1.271 . . . . 0.0 112.204 174.31 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 5.9 p30 -75.09 179.22 5.14 Favored 'General case' 0 N--CA 1.446 -0.673 0 CA-C-O 122.287 1.042 . . . . 0.0 111.825 177.363 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 9' ' ' ALA . . . . . 0.418 ' CB ' ' HB3' ' A' ' 52' ' ' TYR . . . -38.55 -62.9 0.55 Allowed 'General case' 0 N--CA 1.447 -0.58 0 C-N-CA 126.714 2.006 . . . . 0.0 113.408 179.644 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 10' ' ' PHE . . . . . . . . . . . . . 5.4 m-85 -71.34 -25.88 62.58 Favored 'General case' 0 N--CA 1.453 -0.284 0 O-C-N 121.456 -0.777 . . . . 0.0 111.155 -170.554 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 11' ' ' MET . . . . . . . . . . . . . 65.2 mmm -67.74 -41.3 83.6 Favored 'General case' 0 N--CA 1.454 -0.267 0 N-CA-C 108.755 -0.832 . . . . 0.0 108.755 177.231 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 59.7 mt -64.73 -44.43 90.19 Favored 'General case' 0 C--O 1.231 0.091 0 O-C-N 121.661 -0.649 . . . . 0.0 110.062 173.107 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 27.3 t80 -52.43 -46.04 66.22 Favored 'General case' 0 N--CA 1.462 0.174 0 N-CA-C 109.353 -0.61 . . . . 0.0 109.353 178.158 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 14' ' ' MET . . . . . . . . . . . . . 30.2 ttm -55.51 -63.96 1.0 Allowed 'General case' 0 N--CA 1.445 -0.723 0 CA-C-O 118.459 -0.781 . . . . 0.0 110.31 171.816 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 1.5 mtpm? -48.3 -42.1 30.02 Favored 'General case' 0 CA--C 1.534 0.342 0 CA-C-N 120.015 1.28 . . . . 0.0 112.191 -175.539 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 49.3 mt-10 -70.03 -66.75 0.55 Allowed 'General case' 0 CA--C 1.535 0.392 0 C-N-CA 123.169 0.588 . . . . 0.0 111.947 179.225 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 17' ' ' MET . . . . . . . . . . . . . 14.5 mtp -86.42 -23.83 25.92 Favored 'General case' 0 C--O 1.226 -0.171 0 N-CA-C 114.92 1.452 . . . . 0.0 114.92 -168.849 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 18' ' ' ARG . . . . . 0.426 ' HG2' ' CG2' ' A' ' 33' ' ' ILE . 7.6 tmm_? -55.45 -42.26 74.0 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-N 119.608 1.095 . . . . 0.0 111.362 -175.851 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -53.88 -46.68 71.4 Favored 'General case' 0 CA--C 1.533 0.324 0 O-C-N 122.026 -0.421 . . . . 0.0 110.634 172.045 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 20' ' ' ASN . . . . . . . . . . . . . 9.9 t30 -61.99 -47.36 85.18 Favored 'General case' 0 C--O 1.222 -0.389 0 N-CA-C 109.905 -0.406 . . . . 0.0 109.905 177.904 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 73.8 t -51.55 -53.55 15.89 Favored 'Isoleucine or valine' 0 N--CA 1.46 0.055 0 CA-C-N 118.856 0.753 . . . . 0.0 110.499 175.539 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 55.0 t -59.01 -37.28 66.75 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.369 0 C-N-CA 122.679 0.392 . . . . 0.0 110.412 -178.735 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -65.51 -47.55 75.58 Favored 'General case' 0 CA--C 1.539 0.523 0 O-C-N 121.806 -0.559 . . . . 0.0 112.367 173.528 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 85.3 mt-10 -67.82 -55.72 11.9 Favored 'General case' 0 CA--C 1.53 0.199 0 CA-C-O 121.415 0.626 . . . . 0.0 111.465 -176.166 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 53.5 p -86.98 176.61 7.56 Favored 'General case' 0 N--CA 1.449 -0.503 0 C-N-CA 124.56 1.144 . . . . 0.0 111.582 -168.881 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 4.3 p -82.75 -10.4 58.91 Favored 'General case' 0 N--CA 1.445 -0.676 0 C-N-CA 123.784 0.834 . . . . 0.0 110.716 169.552 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 4.1 mm? -80.91 157.19 25.68 Favored 'General case' 0 N--CA 1.446 -0.642 0 CA-C-O 122.213 1.006 . . . . 0.0 112.784 -171.036 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 2.0 mptp? -144.77 -33.75 0.37 Allowed 'General case' 0 N--CA 1.454 -0.267 0 CA-C-N 113.162 -1.835 . . . . 0.0 110.973 169.465 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 42.3 mt-10 -53.95 113.75 1.34 Allowed 'General case' 0 C--N 1.343 0.287 0 N-CA-C 108.287 -1.005 . . . . 0.0 108.287 -172.346 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 18.1 t -52.79 -46.28 67.54 Favored 'General case' 0 N--CA 1.45 -0.441 0 O-C-N 123.577 0.548 . . . . 0.0 110.966 -169.098 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -56.26 -38.53 71.28 Favored 'General case' 0 CA--C 1.533 0.32 0 O-C-N 121.088 -1.007 . . . . 0.0 113.588 179.731 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -72.97 -50.61 22.29 Favored 'General case' 0 CA--C 1.528 0.113 0 O-C-N 121.397 -0.814 . . . . 0.0 109.207 176.429 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 33' ' ' ILE . . . . . 0.426 ' CG2' ' HG2' ' A' ' 18' ' ' ARG . 8.5 mm -52.29 -35.07 19.13 Favored 'Isoleucine or valine' 0 CA--C 1.543 0.692 0 C-N-CA 125.36 1.464 . . . . 0.0 112.078 178.541 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 81.9 m-20 -75.94 -33.6 59.83 Favored 'General case' 0 C--N 1.332 -0.177 0 C-N-CA 124.445 1.098 . . . . 0.0 110.123 -178.86 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 40.7 mt-30 -69.15 -40.71 78.03 Favored 'General case' 0 CA--C 1.532 0.272 0 O-C-N 121.898 -0.501 . . . . 0.0 109.986 169.793 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 17.5 mt -50.88 -53.42 13.89 Favored 'Isoleucine or valine' 0 C--N 1.342 0.26 0 N-CA-C 108.892 -0.781 . . . . 0.0 108.892 169.964 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 14.2 mt -57.45 -44.13 84.51 Favored 'General case' 0 CA--C 1.535 0.375 0 O-C-N 121.408 -0.807 . . . . 0.0 111.187 177.3 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -46.57 -48.44 17.05 Favored Glycine 0 CA--C 1.532 1.119 0 N-CA-C 111.535 -0.626 . . . . 0.0 111.535 172.172 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 3.7 tmm_? -62.88 -58.96 5.58 Favored 'General case' 0 N--CA 1.446 -0.669 0 O-C-N 121.945 -0.738 . . . . 0.0 110.912 173.371 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 19.5 mtp180 -58.64 -28.95 66.15 Favored 'General case' 0 N--CA 1.461 0.077 0 C-N-CA 123.678 0.791 . . . . 0.0 112.2 -168.923 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 41' ' ' TRP . . . . . . . . . . . . . 63.8 t-105 -41.97 -42.82 2.92 Favored 'General case' 0 N--CA 1.451 -0.384 0 C-N-CA 123.265 0.626 . . . . 0.0 112.222 169.682 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 42' ' ' HIS . . . . . . . . . . . . . 73.4 m80 -59.16 -20.92 58.0 Favored 'General case' 0 CA--C 1.533 0.327 0 C-N-CA 124.083 0.953 . . . . 0.0 112.817 -176.358 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -79.12 -18.76 52.64 Favored 'General case' 0 CA--C 1.533 0.293 0 CA-C-N 118.247 0.476 . . . . 0.0 111.62 177.227 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 34.2 mt -67.15 125.95 27.66 Favored 'General case' 0 N--CA 1.454 -0.254 0 CA-C-N 118.725 0.693 . . . . 0.0 110.022 178.926 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 79.6 p -57.69 159.84 4.89 Favored 'General case' 0 CA--C 1.531 0.24 0 N-CA-C 109.4 -0.593 . . . . 0.0 109.4 169.203 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 4.1 mmp_? -49.13 -38.86 26.44 Favored 'General case' 0 CA--C 1.531 0.246 0 O-C-N 122.019 -0.425 . . . . 0.0 111.589 175.695 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 51.7 mp0 -67.57 -50.7 57.2 Favored 'General case' 0 N--CA 1.45 -0.428 0 C-N-CA 123.652 0.781 . . . . 0.0 110.821 178.717 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 33.7 mt-10 -55.67 -43.64 76.52 Favored 'General case' 0 C--O 1.226 -0.174 0 O-C-N 122.268 -0.27 . . . . 0.0 110.607 175.602 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 69.6 mt-30 -57.05 -58.94 5.96 Favored 'General case' 0 N--CA 1.454 -0.25 0 N-CA-C 109.088 -0.708 . . . . 0.0 109.088 174.567 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -47.32 -43.01 22.4 Favored 'General case' 0 C--O 1.235 0.297 0 C-N-CA 123.8 0.84 . . . . 0.0 112.111 -178.91 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -46.54 -42.17 15.37 Favored 'General case' 0 CA--C 1.533 0.289 0 C-N-CA 122.904 0.482 . . . . 0.0 111.276 176.974 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 52' ' ' TYR . . . . . 0.418 ' HB3' ' CB ' ' A' ' 9' ' ' ALA . 44.1 m-85 -63.66 -35.49 80.7 Favored 'General case' 0 N--CA 1.453 -0.306 0 N-CA-C 112.949 0.722 . . . . 0.0 112.949 -179.217 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 53' ' ' TYR . . . . . . . . . . . . . 40.1 m-85 -71.46 -40.0 70.58 Favored 'General case' 0 N--CA 1.452 -0.338 0 N-CA-C 107.547 -1.279 . . . . 0.0 107.547 -176.488 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 79.3 mm-40 -57.61 -60.97 2.86 Favored 'General case' 0 CA--C 1.533 0.299 0 N-CA-C 109.905 -0.406 . . . . 0.0 109.905 169.536 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 6.1 mp -45.48 -50.16 12.95 Favored 'General case' 0 C--O 1.224 -0.257 0 C-N-CA 124.401 1.08 . . . . 0.0 113.38 177.211 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -51.66 -45.13 63.28 Favored 'General case' 0 CA--C 1.536 0.41 0 CA-C-O 121.227 0.537 . . . . 0.0 109.852 177.504 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 41.5 mtt85 -68.22 -38.45 81.91 Favored 'General case' 0 CA--C 1.534 0.334 0 O-C-N 121.941 -0.474 . . . . 0.0 111.209 177.389 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 30.6 mmtm -58.9 -43.69 91.05 Favored 'General case' 0 CA--C 1.534 0.34 0 CA-C-N 119.646 1.112 . . . . 0.0 111.116 172.892 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 30.8 mm-40 -59.4 -46.14 89.54 Favored 'General case' 0 CA--C 1.53 0.179 0 C-N-CA 123.048 0.539 . . . . 0.0 110.242 174.088 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 60' ' ' ARG . . . . . . . . . . . . . 66.4 ttt-85 -55.21 -52.97 61.65 Favored 'General case' 0 CA--C 1.539 0.546 0 C-N-CA 123.478 0.711 . . . . 0.0 110.99 175.782 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 61' ' ' GLN . . . . . . . . . . . . . 29.6 mt-30 -57.41 -52.16 66.51 Favored 'General case' 0 CA--C 1.529 0.15 0 C-N-CA 124.475 1.11 . . . . 0.0 110.163 179.089 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 51.8 tp -50.16 -53.46 27.53 Favored 'General case' 0 N--CA 1.454 -0.258 0 N-CA-C 108.739 -0.837 . . . . 0.0 108.739 175.041 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 63' ' ' HIS . . . . . . . . . . . . . 1.7 t-80 -52.88 -45.03 67.29 Favored 'General case' 0 N--CA 1.449 -0.488 0 C-N-CA 123.038 0.535 . . . . 0.0 111.486 -179.908 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 64' ' ' MET . . . . . . . . . . . . . 85.6 mtp -62.23 -31.36 71.9 Favored 'General case' 0 CA--C 1.534 0.334 0 CA-C-N 118.039 0.382 . . . . 0.0 112.0 176.227 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 65' ' ' GLN . . . . . . . . . . . . . 13.0 mt-30 -78.09 -49.14 14.51 Favored 'General case' 0 CA--C 1.529 0.171 0 O-C-N 121.539 -0.726 . . . . 0.0 109.103 -178.726 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 74.4 mt -57.96 -44.41 87.01 Favored 'General case' 0 N--CA 1.453 -0.29 0 C-N-CA 124.173 0.989 . . . . 0.0 110.691 176.106 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 67' ' ' TYR . . . . . . . . . . . . . 78.6 m-85 -129.09 83.54 65.65 Favored Pre-proline 0 C--O 1.236 0.39 0 C-N-CA 124.442 1.097 . . . . 0.0 109.866 -177.359 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 68' ' ' PRO . . . . . . . . . . . . . 71.6 Cg_endo -71.51 75.84 1.94 Allowed 'Trans proline' 0 N--CA 1.454 -0.83 0 C-N-CA 123.436 2.758 . . . . 0.0 109.349 178.305 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . 124.62 25.27 1.61 Allowed Glycine 0 CA--C 1.527 0.804 0 C-N-CA 125.71 1.624 . . . . 0.0 112.527 -174.764 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 70' ' ' TRP . . . . . . . . . . . . . 5.7 t90 -56.78 127.67 32.76 Favored 'General case' 0 C--N 1.342 0.28 0 CA-C-N 119.528 1.664 . . . . 0.0 107.938 168.635 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 48.5 m -58.67 130.78 48.49 Favored 'General case' 0 N--CA 1.437 -1.098 0 N-CA-C 114.377 1.251 . . . . 0.0 114.377 -176.574 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 72' ' ' ALA . . . . . 0.828 ' HB1' " H5'" ' B' ' 12' ' ' ' DG' . . . -63.5 139.78 58.8 Favored 'General case' 0 N--CA 1.435 -1.221 1 N-CA-C 99.218 -4.364 . . . . 0.0 99.218 163.501 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 73' ' ' ARG . . . . . 0.737 ' H ' ' CD ' ' A' ' 73' ' ' ARG 0.288 0.0 OUTLIER -31.5 91.83 0.01 OUTLIER 'General case' 0 C--N 1.313 -0.986 0 N-CA-C 118.969 2.951 . . . . 0.0 118.969 -160.092 . . . . . . . . 4 4 . 1 . 006 nuclear build full ' A' A ' 74' ' ' ASP . . . . . . . . . . . . . 23.0 p-10 -80.96 -39.1 26.6 Favored 'General case' 0 CA--C 1.537 0.448 0 N-CA-C 104.549 -2.389 . . . . 0.0 104.549 165.315 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 75' ' ' ASN . . . . . . . . . . . . . 43.1 m-80 -79.1 51.18 1.13 Allowed 'General case' 0 CA--C 1.534 0.329 0 C-N-CA 126.072 1.749 . . . . 0.0 109.876 173.804 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 76' ' ' TYR . . . . . . . . . . . . . 27.0 t80 -90.96 147.22 23.25 Favored 'General case' 0 CA--C 1.531 0.24 0 N-CA-C 107.604 -1.258 . . . . 0.0 107.604 169.673 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 54.98 44.94 82.98 Favored Glycine 0 CA--C 1.534 1.264 0 CA-C-N 118.973 0.806 . . . . 0.0 112.603 178.544 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 48.6 mmtm -100.74 -48.37 4.51 Favored 'General case' 0 CA--C 1.527 0.078 0 C-N-CA 124.662 1.185 . . . . 0.0 108.763 172.899 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 49.7 mttm -73.46 135.96 44.17 Favored 'General case' 0 N--CA 1.452 -0.327 0 N-CA-C 104.831 -2.285 . . . . 0.0 104.831 167.799 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 92.4 mttt -69.76 149.27 48.16 Favored 'General case' 0 N--CA 1.453 -0.283 0 N-CA-C 108.297 -1.001 . . . . 0.0 108.297 172.421 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 29.4 tptp -129.91 149.82 51.47 Favored 'General case' 0 CA--C 1.53 0.185 0 C-N-CA 125.091 1.356 . . . . 0.0 108.078 -169.962 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 82' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -105.19 -94.02 0.35 Allowed 'General case' 0 CA--C 1.532 0.265 0 C-N-CA 125.218 1.407 . . . . 0.0 110.453 -169.946 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -75.93 72.73 2.81 Favored 'General case' 0 CA--C 1.533 0.3 0 N-CA-C 112.963 0.727 . . . . 0.0 112.963 -169.751 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 84' ' ' ARG . . . . . . . . . . . . . 70.6 ttp85 -55.7 131.82 47.55 Favored 'General case' 0 CA--C 1.535 0.394 0 N-CA-C 106.82 -1.548 . . . . 0.0 106.82 168.494 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 1.3 pm0 -78.79 52.49 1.23 Allowed 'General case' 0 CA--C 1.538 0.487 0 C-N-CA 123.555 0.742 . . . . 0.0 112.61 -169.701 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 8.6 mtmp? . . . . . 0 C--O 1.233 0.232 0 C-N-CA 125.156 1.382 . . . . 0.0 111.362 177.69 . . . . . . . . 0 0 . 1 . 006 nuclear build full ' B' B ' 1' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.53 2.437 2 O4'-C1'-N19 111.91 5.137 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 2' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.535 2.977 0 P-O3'-C3' 123.669 3.307 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 006 nuclear build full ' B' B ' 3' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.417 -2.639 0 P-O3'-C3' 123.053 2.794 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 006 nuclear build full ' B' B ' 4' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.412 -3.09 0 O4'-C4'-C3' 108.508 2.908 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 006 nuclear build full ' B' B ' 5' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.406 -3.675 0 P-O3'-C3' 122.876 2.646 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 006 nuclear build full ' B' B ' 6' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.407 -3.551 0 C4'-C3'-C2' 100.616 -2.584 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 006 nuclear build full ' B' B ' 7' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.418 -2.562 0 C4'-C3'-C2' 100.129 -3.071 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 006 nuclear build full ' B' B ' 8' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.408 -3.461 0 O4'-C4'-C3' 108.517 2.917 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 006 nuclear build full ' B' B ' 9' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.417 -2.599 0 P-O3'-C3' 123.346 3.038 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 006 nuclear build full ' B' B ' 10' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.533 2.741 0 P-O3'-C3' 122.947 2.706 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 006 nuclear build full ' B' B ' 11' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.422 -2.17 2 O4'-C1'-N19 114.743 8.679 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 12' ' ' ' DG' . . . . . 0.828 " H5'" ' HB1' ' A' ' 72' ' ' ALA . . . . . . . . 0 P--O5' 1.617 2.421 4 O4'-C1'-N19 112.534 5.918 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 13' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.41 -3.301 1 O4'-C1'-N19 111.638 4.797 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 14' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.533 2.787 0 O4'-C1'-N19 110.6 3.5 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 006 nuclear build full ' B' B ' 15' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.41 -3.268 0 O4'-C1'-N19 109.886 2.607 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 006 nuclear build full ' C' C ' 1' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.415 -2.803 1 O4'-C1'-N19 112.151 5.438 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 006 nuclear build full ' C' C ' 2' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.531 2.514 0 O4'-C1'-N19 110.181 2.976 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 006 nuclear build full ' C' C ' 3' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.418 -2.563 2 O4'-C1'-N19 115.789 9.986 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 006 nuclear build full ' C' C ' 4' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.534 2.859 0 O4'-C1'-N19 109.752 2.44 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 006 nuclear build full ' C' C ' 5' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.412 -3.129 1 O4'-C1'-N19 113.075 6.594 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 006 nuclear build full ' C' C ' 6' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.419 -2.477 0 O4'-C1'-C2' 102.003 -3.725 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 006 nuclear build full ' C' C ' 7' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.415 -2.811 0 O4'-C4'-C3' 109.369 3.769 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 006 nuclear build full ' C' C ' 8' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.407 -3.52 1 C4'-C3'-C2' 98.585 -4.615 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 006 nuclear build full ' C' C ' 9' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.411 -3.139 0 C5'-C4'-C3' 111.03 -2.447 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 006 nuclear build full ' C' C ' 10' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.416 -2.767 1 O4'-C1'-N19 111.466 4.582 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 006 nuclear build full ' C' C ' 11' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.531 2.526 1 O4'-C1'-N19 111.717 4.896 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 006 nuclear build full ' C' C ' 12' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.531 2.466 0 O3'-P-O5' 98.621 -2.831 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 006 nuclear build full ' C' C ' 13' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.417 -2.671 0 O4'-C4'-C3' 108.071 2.471 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 006 nuclear build full ' C' C ' 14' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.411 -3.168 0 O4'-C1'-N19 110.544 3.43 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 006 nuclear build full ' C' C ' 15' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.531 2.539 0 O4'-C1'-N19 110.983 3.978 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 23.5 ptm . . . . . 0 CA--C 1.534 0.336 0 CA-C-O 121.262 0.553 . . . . 0.0 111.198 . . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' 2' ' ' HIS . . . . . . . . . . . . . 4.7 m-70 -70.55 78.67 0.58 Allowed 'General case' 0 N--CA 1.457 -0.109 0 N-CA-C 108.439 -0.949 . . . . 0.0 108.439 172.76 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . 11.7 mt -77.74 129.69 37.13 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.39 0 N-CA-C 107.269 -1.382 . . . . 0.0 107.269 -172.58 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -59.99 143.2 52.38 Favored 'General case' 0 N--CA 1.451 -0.422 0 CA-C-N 116.383 -0.371 . . . . 0.0 110.109 -172.392 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -67.1 158.32 81.75 Favored Pre-proline 0 CA--C 1.534 0.332 0 N-CA-C 109.385 -0.598 . . . . 0.0 109.385 178.577 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 57.0 Cg_endo -66.55 94.3 0.32 Allowed 'Trans proline' 0 N--CA 1.449 -1.098 0 C-N-CA 121.362 1.374 . . . . 0.0 109.0 169.924 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 9.5 mp -39.72 127.8 2.01 Favored 'General case' 0 C--O 1.231 0.091 0 C-N-CA 125.21 1.404 . . . . 0.0 112.448 176.203 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 5.7 p30 -86.13 -179.03 6.66 Favored 'General case' 0 N--CA 1.446 -0.66 0 CA-C-O 122.089 0.947 . . . . 0.0 112.023 -178.435 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -38.89 -63.34 0.53 Allowed 'General case' 0 N--CA 1.449 -0.484 0 C-N-CA 126.956 2.102 . . . . 0.0 113.712 178.57 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 10' ' ' PHE . . . . . . . . . . . . . 5.3 m-85 -71.69 -22.6 61.63 Favored 'General case' 0 N--CA 1.451 -0.378 0 O-C-N 121.361 -0.837 . . . . 0.0 111.538 -169.651 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 11' ' ' MET . . . . . . . . . . . . . 54.5 mmm -66.55 -45.23 80.06 Favored 'General case' 0 N--CA 1.455 -0.195 0 N-CA-C 108.44 -0.948 . . . . 0.0 108.44 176.693 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 11.0 mt -61.43 -47.23 86.68 Favored 'General case' 0 CA--C 1.531 0.212 0 N-CA-C 109.382 -0.599 . . . . 0.0 109.382 174.859 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 45.5 t80 -52.4 -49.42 64.51 Favored 'General case' 0 N--CA 1.467 0.4 0 N-CA-C 109.939 -0.393 . . . . 0.0 109.939 179.871 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 14' ' ' MET . . . . . . . . . . . . . 18.4 ttm -53.16 -60.53 3.17 Favored 'General case' 0 N--CA 1.445 -0.695 0 C-N-CA 123.895 0.878 . . . . 0.0 109.935 172.553 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 35.8 mttm -47.57 -44.75 26.46 Favored 'General case' 0 CA--C 1.535 0.379 0 CA-C-N 119.514 1.052 . . . . 0.0 112.036 -178.199 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 45.1 mt-10 -69.48 -68.93 0.37 Allowed 'General case' 0 CA--C 1.537 0.444 0 C-N-CA 122.716 0.406 . . . . 0.0 111.986 179.893 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 17' ' ' MET . . . . . . . . . . . . . 10.0 mtp -79.96 -22.27 42.8 Favored 'General case' 0 N--CA 1.457 -0.087 0 N-CA-C 114.558 1.318 . . . . 0.0 114.558 -169.251 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 24.2 ttp85 -58.87 -39.45 81.39 Favored 'General case' 0 N--CA 1.452 -0.333 0 CA-C-N 119.41 1.005 . . . . 0.0 111.566 -175.303 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -53.35 -46.95 69.73 Favored 'General case' 0 CA--C 1.53 0.189 0 O-C-N 121.754 -0.591 . . . . 0.0 110.205 173.897 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 20' ' ' ASN . . . . . . . . . . . . . 10.2 t30 -59.65 -52.96 63.3 Favored 'General case' 0 C--O 1.222 -0.385 0 CA-C-O 119.047 -0.501 . . . . 0.0 109.756 175.56 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 52.1 t -47.36 -54.5 2.89 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.254 0 CA-C-N 118.848 0.749 . . . . 0.0 111.114 177.08 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 55.6 t -62.43 -36.36 74.42 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.445 0 C-N-CA 123.447 0.699 . . . . 0.0 110.156 -176.314 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -65.31 -47.24 77.28 Favored 'General case' 0 CA--C 1.537 0.464 0 O-C-N 121.863 -0.523 . . . . 0.0 112.33 172.93 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 19.7 mt-10 -69.24 -53.49 19.59 Favored 'General case' 0 CA--C 1.53 0.191 0 O-C-N 121.921 -0.487 . . . . 0.0 111.143 -176.117 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 54.6 p -83.22 172.36 12.68 Favored 'General case' 0 N--CA 1.451 -0.4 0 C-N-CA 124.059 0.944 . . . . 0.0 110.366 -172.098 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 4.2 p -81.89 -12.59 58.36 Favored 'General case' 0 N--CA 1.45 -0.446 0 C-N-CA 123.424 0.69 . . . . 0.0 111.265 170.322 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -86.06 159.89 19.45 Favored 'General case' 0 N--CA 1.45 -0.473 0 CA-C-O 122.134 0.969 . . . . 0.0 113.287 -169.44 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 1.5 mptp? -141.7 -39.47 0.38 Allowed 'General case' 0 CA--C 1.531 0.222 0 C-N-CA 125.957 1.703 . . . . 0.0 109.971 174.991 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 3.0 mp0 -39.37 106.63 0.06 Allowed 'General case' 0 C--O 1.238 0.482 0 C-N-CA 126.963 2.105 . . . . 0.0 110.911 -179.402 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 24.3 t -76.76 73.88 3.41 Favored 'General case' 0 N--CA 1.452 -0.356 0 CA-C-O 121.744 0.783 . . . . 0.0 109.096 -173.782 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -168.92 -50.44 0.02 OUTLIER 'General case' 0 C--N 1.327 -0.391 0 N-CA-C 105.654 -1.98 . . . . 0.0 105.654 170.119 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -63.08 -47.58 82.3 Favored 'General case' 0 N--CA 1.453 -0.315 0 N-CA-C 107.58 -1.267 . . . . 0.0 107.58 168.115 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 33' ' ' ILE . . . . . . . . . . . . . 8.0 mm -57.31 -39.36 67.36 Favored 'Isoleucine or valine' 0 CA--C 1.538 0.49 0 C-N-CA 123.455 0.702 . . . . 0.0 111.609 174.216 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 81.4 m-20 -71.46 -35.58 70.92 Favored 'General case' 0 N--CA 1.463 0.182 0 O-C-N 121.202 -0.936 . . . . 0.0 110.882 -178.963 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 32.1 mt-30 -65.04 -41.5 95.14 Favored 'General case' 0 CA--C 1.534 0.364 0 O-C-N 121.686 -0.634 . . . . 0.0 111.066 169.75 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 16.1 mt -50.2 -53.84 10.31 Favored 'Isoleucine or valine' 0 C--N 1.343 0.29 0 N-CA-C 109.121 -0.696 . . . . 0.0 109.121 170.799 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 17.1 mt -56.38 -45.71 80.41 Favored 'General case' 0 CA--C 1.535 0.385 0 CA-C-N 118.678 0.672 . . . . 0.0 111.375 176.515 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -46.0 -48.74 14.17 Favored Glycine 0 CA--C 1.53 1.022 0 N-CA-C 111.552 -0.619 . . . . 0.0 111.552 174.19 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -63.26 -60.9 2.79 Favored 'General case' 0 N--CA 1.448 -0.559 0 C-N-CA 123.349 0.659 . . . . 0.0 110.762 173.326 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 83.8 mtt180 -56.24 -30.91 63.01 Favored 'General case' 0 N--CA 1.462 0.138 0 C-N-CA 124.02 0.928 . . . . 0.0 112.59 -169.454 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 41' ' ' TRP . . . . . . . . . . . . . 59.5 t-105 -39.69 -43.63 1.41 Allowed 'General case' 0 N--CA 1.453 -0.307 0 C-N-CA 123.444 0.698 . . . . 0.0 112.391 171.176 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 42' ' ' HIS . . . . . . . . . . . . . 75.9 m80 -59.77 -18.44 43.32 Favored 'General case' 0 CA--C 1.533 0.298 0 N-CA-C 113.056 0.762 . . . . 0.0 113.056 -174.422 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -79.15 -18.8 52.48 Favored 'General case' 0 CA--C 1.535 0.374 0 C-N-CA 123.008 0.523 . . . . 0.0 111.909 176.5 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 26.3 mt -63.82 130.7 45.24 Favored 'General case' 0 C--O 1.233 0.216 0 CA-C-N 119.023 0.829 . . . . 0.0 110.123 177.881 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 83.6 p -59.19 156.91 11.39 Favored 'General case' 0 CA--C 1.529 0.146 0 N-CA-C 108.875 -0.787 . . . . 0.0 108.875 169.507 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 4.2 mmp_? -53.32 -32.22 47.93 Favored 'General case' 0 CA--C 1.535 0.369 0 O-C-N 121.581 -0.7 . . . . 0.0 111.556 177.195 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 46.8 mp0 -69.93 -50.38 42.65 Favored 'General case' 0 N--CA 1.453 -0.285 0 C-N-CA 123.672 0.789 . . . . 0.0 110.648 176.626 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 42.0 mt-10 -55.39 -44.55 76.21 Favored 'General case' 0 CA--C 1.529 0.17 0 O-C-N 122.17 -0.331 . . . . 0.0 110.359 175.024 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 75.2 mt-30 -55.33 -59.59 4.58 Favored 'General case' 0 N--CA 1.452 -0.333 0 N-CA-C 108.976 -0.75 . . . . 0.0 108.976 173.902 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -45.77 -44.5 13.97 Favored 'General case' 0 CA--C 1.533 0.323 0 C-N-CA 123.895 0.878 . . . . 0.0 112.193 -179.253 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 6.6 pttt -44.46 -43.21 7.64 Favored 'General case' 0 CA--C 1.531 0.239 0 C-N-CA 123.173 0.589 . . . . 0.0 111.354 176.594 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 52' ' ' TYR . . . . . . . . . . . . . 49.2 m-85 -66.12 -36.5 83.33 Favored 'General case' 0 N--CA 1.452 -0.367 0 N-CA-C 112.94 0.719 . . . . 0.0 112.94 -178.062 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 53' ' ' TYR . . . . . . . . . . . . . 36.7 m-85 -69.28 -42.46 75.46 Favored 'General case' 0 N--CA 1.453 -0.305 0 N-CA-C 107.153 -1.425 . . . . 0.0 107.153 -178.349 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 42.8 mt-10 -54.15 -58.39 7.55 Favored 'General case' 0 CA--C 1.535 0.366 0 CA-C-N 116.147 -0.479 . . . . 0.0 109.805 169.837 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 1.3 mt -51.8 -57.93 7.91 Favored 'General case' 0 N--CA 1.464 0.225 0 C-N-CA 123.643 0.777 . . . . 0.0 111.194 -177.861 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -44.65 -49.91 10.1 Favored 'General case' 0 N--CA 1.453 -0.324 0 C-N-CA 124.223 1.009 . . . . 0.0 109.852 175.797 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 91.1 mtt-85 -66.03 -35.05 79.51 Favored 'General case' 0 CA--C 1.536 0.413 0 N-CA-C 113.046 0.758 . . . . 0.0 113.046 177.691 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 30.8 mmtp -56.5 -51.77 67.26 Favored 'General case' 0 CA--C 1.53 0.195 0 CA-C-N 119.557 1.071 . . . . 0.0 109.735 170.014 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 37.7 mm-40 -56.5 -47.89 78.33 Favored 'General case' 0 CA--C 1.535 0.374 0 C-N-CA 122.747 0.419 . . . . 0.0 110.699 177.096 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 60' ' ' ARG . . . . . . . . . . . . . 40.5 ttt180 -51.13 -54.94 20.59 Favored 'General case' 0 CA--C 1.531 0.231 0 C-N-CA 125.804 1.642 . . . . 0.0 110.228 178.847 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 61' ' ' GLN . . . . . . . . . . . . . 32.1 mt-30 -63.2 -53.33 54.88 Favored 'General case' 0 CA--C 1.53 0.183 0 C-N-CA 122.898 0.479 . . . . 0.0 110.443 178.635 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 43.8 tp -46.86 -49.64 19.85 Favored 'General case' 0 CA--C 1.527 0.095 0 C-N-CA 124.089 0.956 . . . . 0.0 110.097 179.912 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 63' ' ' HIS . . . . . . . . . . . . . 12.4 t-80 -53.26 -34.26 56.46 Favored 'General case' 0 CA--C 1.533 0.29 0 C-N-CA 123.942 0.897 . . . . 0.0 112.653 -179.483 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 64' ' ' MET . . . . . . . . . . . . . 74.3 mtp -65.92 -32.09 73.39 Favored 'General case' 0 CA--C 1.53 0.191 0 CA-C-N 118.672 0.669 . . . . 0.0 110.436 176.479 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 65' ' ' GLN . . . . . . . . . . . . . 59.5 mt-30 -78.83 -43.04 26.1 Favored 'General case' 0 N--CA 1.452 -0.347 0 N-CA-C 108.619 -0.882 . . . . 0.0 108.619 179.592 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 40.5 mt -59.53 -47.36 85.82 Favored 'General case' 0 CA--C 1.531 0.242 0 C-N-CA 122.418 0.287 . . . . 0.0 110.592 177.071 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 67' ' ' TYR . . . . . . . . . . . . . 76.6 m-85 -138.75 78.11 31.53 Favored Pre-proline 0 CA--C 1.533 0.293 0 C-N-CA 123.529 0.732 . . . . 0.0 111.289 -174.23 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 68' ' ' PRO . . . . . . . . . . . . . 84.4 Cg_exo -48.43 -41.41 36.18 Favored 'Trans proline' 0 N--CA 1.457 -0.648 0 C-N-CA 123.883 3.055 . . . . 0.0 112.862 177.568 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . -120.71 38.19 2.79 Favored Glycine 0 C--N 1.338 0.684 0 CA-C-O 119.496 -0.613 . . . . 0.0 113.278 -176.559 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 70' ' ' TRP . . . . . . . . . . . . . 3.8 t90 -64.78 111.45 2.79 Favored 'General case' 0 C--N 1.338 0.107 0 N-CA-C 105.592 -2.003 . . . . 0.0 105.592 168.083 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 1.3 m -55.53 105.47 0.18 Allowed 'General case' 0 N--CA 1.452 -0.339 0 N-CA-C 106.573 -1.64 . . . . 0.0 106.573 170.882 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -38.93 -61.85 0.69 Allowed 'General case' 0 N--CA 1.452 -0.335 0 O-C-N 124.542 1.151 . . . . 0.0 110.398 -168.607 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 73' ' ' ARG . . . . . 0.508 ' CG ' " H4'" ' B' ' 12' ' ' ' DG' 0.472 0.1 OUTLIER -92.03 30.7 1.37 Allowed 'General case' 0 N--CA 1.447 -0.607 0 N-CA-C 118.752 2.871 . . . . 0.0 118.752 -176.001 . . . . . . . . 4 4 . 1 . 007 nuclear build full ' A' A ' 74' ' ' ASP . . . . . . . . . . . . . 14.6 t70 -49.77 -34.85 20.47 Favored 'General case' 0 CA--C 1.536 0.405 0 CA-C-O 121.789 0.804 . . . . 0.0 109.479 168.372 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 75' ' ' ASN . . . . . . . . . . . . . 1.9 m120 -79.22 -18.06 53.63 Favored 'General case' 0 CA--C 1.54 0.564 0 C-N-CA 125.712 1.605 . . . . 0.0 112.836 -174.37 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 76' ' ' TYR . . . . . . . . . . . . . 3.2 t80 -60.7 130.85 48.59 Favored 'General case' 0 N--CA 1.468 0.461 0 CA-C-N 120.1 1.318 . . . . 0.0 111.654 -168.437 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 62.24 10.43 28.05 Favored Glycine 0 CA--C 1.531 1.088 0 CA-C-O 118.952 -0.915 . . . . 0.0 113.881 -178.571 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 46.9 mmtm -76.75 -31.33 57.02 Favored 'General case' 0 C--N 1.34 0.192 0 CA-C-N 119.429 1.615 . . . . 0.0 109.894 176.792 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 40.2 mtmt -72.18 130.51 41.01 Favored 'General case' 0 N--CA 1.453 -0.279 0 N-CA-C 105.442 -2.059 . . . . 0.0 105.442 167.942 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 44.3 mmtm -75.01 81.35 2.21 Favored 'General case' 0 CA--C 1.533 0.317 0 CA-C-O 121.535 0.684 . . . . 0.0 109.989 -172.338 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 13.9 tppt? -63.38 76.22 0.03 OUTLIER 'General case' 0 CA--C 1.536 0.417 0 C-N-CA 126.839 2.056 . . . . 0.0 112.583 -172.866 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 82' ' ' ARG . . . . . . . . . . . . . 47.9 mtp180 -45.14 -39.99 6.61 Favored 'General case' 0 CA--C 1.534 0.35 0 C-N-CA 125.848 1.659 . . . . 0.0 112.117 170.856 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . 48.9 mtmt -62.9 -18.46 63.06 Favored 'General case' 0 CA--C 1.538 0.488 0 N-CA-C 113.293 0.849 . . . . 0.0 113.293 178.56 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 84' ' ' ARG . . . . . . . . . . . . . 82.8 mtt180 62.12 -146.11 0.4 Allowed 'General case' 0 CA--C 1.534 0.329 0 C-N-CA 125.164 1.386 . . . . 0.0 110.593 -176.165 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 35.9 mm-40 -69.66 70.57 0.31 Allowed 'General case' 0 CA--C 1.534 0.36 0 C-N-CA 125.191 1.396 . . . . 0.0 113.965 -168.939 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 41.0 mmtm . . . . . 0 CA--C 1.529 0.147 0 C-N-CA 124.707 1.203 . . . . 0.0 109.246 169.894 . . . . . . . . 0 0 . 1 . 007 nuclear build full ' B' B ' 1' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.53 2.356 1 O4'-C1'-N19 111.301 4.376 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 2' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.534 2.815 0 O4'-C1'-N19 110.348 3.185 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 007 nuclear build full ' B' B ' 3' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.414 -2.865 0 C4'-C3'-C2' 99.906 -3.294 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 007 nuclear build full ' B' B ' 4' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.412 -3.077 1 P-O3'-C3' 124.862 4.302 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 5' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.409 -3.391 0 C4'-C3'-C2' 99.424 -3.776 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 007 nuclear build full ' B' B ' 6' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.413 -2.972 0 O4'-C1'-N19 109.407 2.009 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 007 nuclear build full ' B' B ' 7' ' ' ' DT' . . . . . 0.401 " H2'" ' C6 ' ' B' ' 8' ' ' ' DT' . . . . . . . . 0 O4'--C4' 1.418 -2.585 0 C4'-C3'-C2' 100.246 -2.954 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 8' ' ' ' DT' . . . . . 0.401 ' C6 ' " H2'" ' B' ' 7' ' ' ' DT' . . . . . . . . 0 O4'--C4' 1.407 -3.501 0 O4'-C4'-C3' 108.568 2.968 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 9' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.418 -2.531 0 P-O3'-C3' 123.397 3.081 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 007 nuclear build full ' B' B ' 10' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.531 2.554 0 P-O3'-C3' 123.495 3.163 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 007 nuclear build full ' B' B ' 11' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.53 2.399 1 O4'-C1'-N19 114.164 7.955 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 12' ' ' ' DG' . . . . . 0.508 " H4'" ' CG ' ' A' ' 73' ' ' ARG . . . . . . . . 0 O4'--C4' 1.415 -2.844 1 O4'-C4'-C3' 110.304 4.704 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 13' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.409 -3.384 1 O4'-C1'-N19 111.259 4.324 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 14' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.534 2.852 0 O4'-C1'-N19 110.383 3.229 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 007 nuclear build full ' B' B ' 15' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.41 -3.254 0 O4'-C1'-N19 109.904 2.63 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 007 nuclear build full ' C' C ' 1' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.415 -2.796 1 O4'-C1'-N19 112.148 5.435 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 007 nuclear build full ' C' C ' 2' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.532 2.591 0 O4'-C1'-N19 110.235 3.043 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 007 nuclear build full ' C' C ' 3' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.416 -2.725 2 O4'-C1'-N19 115.497 9.622 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 007 nuclear build full ' C' C ' 4' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.535 3.028 0 O4'-C4'-C3' 108.102 2.502 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 007 nuclear build full ' C' C ' 5' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.412 -3.136 1 O4'-C1'-N19 112.651 6.064 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 007 nuclear build full ' C' C ' 6' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.419 -2.441 0 O4'-C1'-N19 110.821 3.776 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 007 nuclear build full ' C' C ' 7' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.412 -3.114 0 O4'-C4'-C3' 109.497 3.897 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 007 nuclear build full ' C' C ' 8' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.406 -3.594 0 C4'-C3'-C2' 99.963 -3.237 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 007 nuclear build full ' C' C ' 9' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.536 3.097 0 P-O3'-C3' 122.041 1.951 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 007 nuclear build full ' C' C ' 10' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.41 -3.255 0 C1'-O4'-C4' 105.369 -3.094 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 007 nuclear build full ' C' C ' 11' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.534 2.893 1 O4'-C1'-N19 111.282 4.353 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 007 nuclear build full ' C' C ' 12' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.417 -2.647 0 O3'-P-O5' 98.738 -2.769 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 007 nuclear build full ' C' C ' 13' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.414 -2.921 0 O4'-C1'-N19 110.996 3.996 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 007 nuclear build full ' C' C ' 14' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.413 -2.989 0 P-O3'-C3' 122.9 2.667 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 007 nuclear build full ' C' C ' 15' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.412 -3.067 0 C4'-C3'-C2' 100.444 -2.756 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 6.5 tmm? . . . . . 0 N--CA 1.45 -0.473 0 N-CA-C 107.183 -1.414 . . . . 0.0 107.183 . . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A ' 2' ' ' HIS . . . . . . . . . . . . . 20.8 m-70 -67.28 92.74 0.29 Allowed 'General case' 0 CA--C 1.531 0.236 0 C-N-CA 124.066 0.946 . . . . 0.0 109.707 178.807 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . 95.5 mt -78.79 126.77 38.99 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.217 0 N-CA-C 106.669 -1.604 . . . . 0.0 106.669 172.839 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -61.54 159.32 13.24 Favored 'General case' 0 N--CA 1.45 -0.469 0 CA-C-N 115.729 -0.669 . . . . 0.0 112.005 -171.504 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 13.0 mptt -90.72 162.33 33.74 Favored Pre-proline 0 N--CA 1.454 -0.245 0 N-CA-C 106.983 -1.488 . . . . 0.0 106.983 169.034 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 52.1 Cg_exo -55.7 116.97 3.53 Favored 'Trans proline' 0 N--CA 1.448 -1.175 0 N-CA-C 108.409 -1.42 . . . . 0.0 108.409 168.664 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 9.1 mp -63.27 90.99 0.05 OUTLIER 'General case' 0 N--CA 1.454 -0.24 0 CA-C-O 122.331 1.063 . . . . 0.0 110.228 170.001 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 91.0 m-20 -57.23 169.08 0.62 Allowed 'General case' 0 N--CA 1.443 -0.797 0 CA-C-N 113.53 -1.668 . . . . 0.0 110.51 173.789 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -37.94 -66.17 0.28 Allowed 'General case' 0 N--CA 1.452 -0.352 0 C-N-CA 125.6 1.56 . . . . 0.0 115.045 -168.222 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 10' ' ' PHE . . . . . 0.404 ' CE1' " H4'" ' B' ' 8' ' ' ' DT' . 4.3 m-85 -67.18 -19.29 65.55 Favored 'General case' 0 N--CA 1.453 -0.292 0 O-C-N 121.355 -0.841 . . . . 0.0 112.356 -169.693 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 11' ' ' MET . . . . . . . . . . . . . 48.2 mmm -69.6 -33.92 73.36 Favored 'General case' 0 N--CA 1.455 -0.22 0 CA-C-N 118.716 0.689 . . . . 0.0 109.325 177.814 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 65.5 mt -76.48 -41.81 45.79 Favored 'General case' 0 CA--C 1.515 -0.378 0 N-CA-C 109.462 -0.57 . . . . 0.0 109.462 174.476 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 29.6 t80 -53.1 -47.82 68.28 Favored 'General case' 0 C--N 1.339 0.109 0 N-CA-C 109.086 -0.709 . . . . 0.0 109.086 177.06 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 14' ' ' MET . . . . . . . . . . . . . 28.6 ttm -53.55 -66.04 0.46 Allowed 'General case' 0 N--CA 1.444 -0.736 0 C-N-CA 124.282 1.033 . . . . 0.0 110.237 170.202 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 14.0 mmtt -43.55 -44.29 6.03 Favored 'General case' 0 CA--C 1.537 0.453 0 CA-C-N 119.484 1.038 . . . . 0.0 112.516 -176.695 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 48.0 mt-10 -71.18 -65.21 0.77 Allowed 'General case' 0 CA--C 1.536 0.424 0 C-N-CA 123.507 0.723 . . . . 0.0 111.97 179.252 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 17' ' ' MET . . . . . . . . . . . . . 12.3 mtp -81.44 -28.95 33.98 Favored 'General case' 0 C--O 1.227 -0.083 0 N-CA-C 114.489 1.292 . . . . 0.0 114.489 -168.984 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 7.7 tmm_? -55.31 -41.43 72.36 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 121.476 -0.765 . . . . 0.0 112.23 -169.424 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -55.42 -46.11 76.7 Favored 'General case' 0 CA--C 1.534 0.35 0 O-C-N 121.425 -0.797 . . . . 0.0 111.176 172.215 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 20' ' ' ASN . . . . . . . . . . . . . 7.7 t30 -63.3 -46.22 87.76 Favored 'General case' 0 N--CA 1.453 -0.296 0 N-CA-C 109.573 -0.528 . . . . 0.0 109.573 178.27 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 64.3 t -51.69 -54.4 12.82 Favored 'Isoleucine or valine' 0 CA--C 1.521 -0.155 0 CA-C-N 118.168 0.44 . . . . 0.0 110.404 175.031 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 41.7 t -52.99 -50.22 45.61 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.374 0 N-CA-C 108.718 -0.845 . . . . 0.0 108.718 -178.203 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -54.4 -51.88 63.47 Favored 'General case' 0 CA--C 1.538 0.492 0 N-CA-C 112.265 0.468 . . . . 0.0 112.265 176.019 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 50.8 mt-10 -63.13 -57.53 10.27 Favored 'General case' 0 CA--C 1.533 0.312 0 CA-C-O 121.626 0.727 . . . . 0.0 112.179 -177.311 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 85.9 p -79.59 -22.11 44.15 Favored 'General case' 0 CA--C 1.514 -0.423 0 N-CA-C 115.718 1.747 . . . . 0.0 115.718 -167.609 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 17.6 p 64.11 7.47 3.44 Favored 'General case' 0 C--N 1.319 -0.736 0 C-N-CA 126.753 2.021 . . . . 0.0 112.42 -169.039 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -78.5 161.85 26.77 Favored 'General case' 0 CA--C 1.516 -0.328 0 CA-C-N 119.01 0.823 . . . . 0.0 109.473 169.242 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 1.1 mptp? -136.58 -43.64 0.6 Allowed 'General case' 0 N--CA 1.449 -0.521 0 CA-C-N 115.093 -0.958 . . . . 0.0 109.782 174.717 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 2.7 mp0 -38.88 103.13 0.03 OUTLIER 'General case' 0 C--O 1.236 0.348 0 C-N-CA 127.203 2.201 . . . . 0.0 109.229 -174.83 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 8.0 t -53.77 -37.0 62.99 Favored 'General case' 0 N--CA 1.447 -0.624 0 N-CA-C 113.89 1.07 . . . . 0.0 113.89 -167.623 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -64.81 -37.43 87.6 Favored 'General case' 0 CA--C 1.535 0.391 0 CA-C-N 119.682 1.128 . . . . 0.0 112.362 178.109 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -68.47 -49.29 60.87 Favored 'General case' 0 CA--C 1.527 0.089 0 CA-C-O 122.196 0.998 . . . . 0.0 108.832 175.642 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 33' ' ' ILE . . . . . . . . . . . . . 7.5 mm -58.22 -37.37 62.29 Favored 'Isoleucine or valine' 0 CA--C 1.545 0.786 0 C-N-CA 124.885 1.274 . . . . 0.0 111.553 -179.612 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 3.8 m-80 -58.96 -46.96 86.77 Favored 'General case' 0 N--CA 1.462 0.157 0 C-N-CA 124.134 0.974 . . . . 0.0 111.195 170.737 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 38.1 mt-30 -64.51 -40.37 95.51 Favored 'General case' 0 CA--C 1.533 0.294 0 O-C-N 121.81 -0.556 . . . . 0.0 110.932 177.605 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 19.7 mt -51.12 -54.81 9.45 Favored 'Isoleucine or valine' 0 C--N 1.34 0.194 0 N-CA-C 109.57 -0.53 . . . . 0.0 109.57 170.207 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 15.2 mt -55.75 -42.9 76.11 Favored 'General case' 0 CA--C 1.535 0.396 0 CA-C-N 118.577 0.626 . . . . 0.0 111.087 177.712 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -47.24 -52.28 13.4 Favored Glycine 0 CA--C 1.529 0.911 0 N-CA-C 111.077 -0.809 . . . . 0.0 111.077 172.096 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -60.51 -56.68 18.44 Favored 'General case' 0 N--CA 1.447 -0.62 0 O-C-N 121.779 -0.836 . . . . 0.0 110.972 174.434 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 61.4 mtt180 -58.56 -32.05 68.55 Favored 'General case' 0 CA--C 1.52 -0.175 0 O-C-N 121.832 -0.543 . . . . 0.0 111.89 -169.086 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 41' ' ' TRP . . . . . . . . . . . . . 63.0 t-105 -45.19 -40.13 6.94 Favored 'General case' 0 N--CA 1.451 -0.375 0 N-CA-C 112.457 0.54 . . . . 0.0 112.457 171.857 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 42' ' ' HIS . . . . . . . . . . . . . 64.7 m80 -59.85 -18.94 48.11 Favored 'General case' 0 CA--C 1.532 0.274 0 C-N-CA 123.481 0.712 . . . . 0.0 112.648 -177.009 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -79.33 -19.68 49.71 Favored 'General case' 0 CA--C 1.535 0.389 0 C-N-CA 123.018 0.527 . . . . 0.0 111.898 176.054 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 16.3 mt -70.0 127.12 31.76 Favored 'General case' 0 N--CA 1.455 -0.216 0 CA-C-N 118.91 0.777 . . . . 0.0 110.906 -177.873 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 79.4 p -58.15 155.09 11.79 Favored 'General case' 0 CA--C 1.533 0.291 0 N-CA-C 108.255 -1.017 . . . . 0.0 108.255 168.486 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -55.57 -27.04 46.84 Favored 'General case' 0 CA--C 1.538 0.493 0 CA-C-N 119.279 0.945 . . . . 0.0 111.32 178.886 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 39.6 mp0 -68.94 -52.62 27.26 Favored 'General case' 0 CA--C 1.532 0.268 0 C-N-CA 123.65 0.78 . . . . 0.0 110.801 174.397 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 27.3 mt-10 -53.83 -42.84 68.91 Favored 'General case' 0 C--O 1.224 -0.24 0 O-C-N 122.194 -0.316 . . . . 0.0 110.391 173.787 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 75.0 mt-30 -58.08 -58.9 6.39 Favored 'General case' 0 N--CA 1.451 -0.42 0 N-CA-C 109.359 -0.608 . . . . 0.0 109.359 174.287 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -44.6 -43.68 8.34 Favored 'General case' 0 C--O 1.234 0.263 0 C-N-CA 125.148 1.379 . . . . 0.0 112.303 -177.767 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 4.0 pttp -47.9 -41.06 23.53 Favored 'General case' 0 CA--C 1.535 0.397 0 CA-C-N 117.668 0.213 . . . . 0.0 111.549 178.228 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 52' ' ' TYR . . . . . . . . . . . . . 57.2 m-85 -61.79 -35.76 79.11 Favored 'General case' 0 N--CA 1.453 -0.297 0 O-C-N 121.49 -0.756 . . . . 0.0 112.803 -179.886 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 53' ' ' TYR . . . . . . . . . . . . . 35.3 m-85 -72.59 -33.07 66.46 Favored 'General case' 0 N--CA 1.452 -0.346 0 N-CA-C 108.064 -1.087 . . . . 0.0 108.064 -175.204 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 41.7 mt-10 -65.9 -62.46 1.48 Allowed 'General case' 0 CA--C 1.534 0.336 0 C-N-CA 123.289 0.636 . . . . 0.0 109.507 169.714 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 5.8 mp -43.01 -51.98 5.45 Favored 'General case' 0 N--CA 1.464 0.241 0 C-N-CA 124.717 1.207 . . . . 0.0 112.568 177.11 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -45.15 -48.61 12.26 Favored 'General case' 0 CA--C 1.538 0.499 0 C-N-CA 123.494 0.717 . . . . 0.0 110.061 176.636 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 63.7 mtt85 -75.08 -32.7 61.54 Favored 'General case' 0 N--CA 1.454 -0.266 0 C-N-CA 123.984 0.913 . . . . 0.0 112.13 -179.302 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 31.5 mmtp -58.13 -49.81 75.66 Favored 'General case' 0 CA--C 1.532 0.27 0 O-C-N 121.01 -1.056 . . . . 0.0 109.531 170.6 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -60.7 -42.85 98.01 Favored 'General case' 0 CA--C 1.534 0.333 0 C-N-CA 123.819 0.847 . . . . 0.0 110.317 177.048 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 60' ' ' ARG . . . . . . . . . . . . . 27.5 ttm180 -54.68 -52.46 62.29 Favored 'General case' 0 CA--C 1.537 0.456 0 C-N-CA 123.578 0.751 . . . . 0.0 110.892 174.8 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 61' ' ' GLN . . . . . . . . . . . . . 31.7 mt-30 -63.58 -43.14 97.84 Favored 'General case' 0 CA--C 1.53 0.182 0 O-C-N 121.489 -0.757 . . . . 0.0 110.713 179.139 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 45.2 tp -52.48 -54.38 33.21 Favored 'General case' 0 N--CA 1.455 -0.18 0 N-CA-C 108.93 -0.766 . . . . 0.0 108.93 174.079 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 63' ' ' HIS . . . . . . . . . . . . . 0.8 OUTLIER -49.35 -45.17 45.29 Favored 'General case' 0 CA--C 1.53 0.196 0 C-N-CA 124.281 1.032 . . . . 0.0 111.114 176.944 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 64' ' ' MET . . . . . . . . . . . . . 0.3 OUTLIER -57.63 -32.22 67.03 Favored 'General case' 0 CA--C 1.536 0.44 0 CA-C-N 118.235 0.47 . . . . 0.0 111.685 177.725 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 65' ' ' GLN . . . . . . . . . . . . . 84.0 mt-30 -79.14 -44.0 22.87 Favored 'General case' 0 CA--C 1.531 0.224 0 CA-C-N 118.453 0.57 . . . . 0.0 110.069 175.519 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 22.7 mt -55.64 -41.54 73.73 Favored 'General case' 0 CA--C 1.53 0.202 0 C-N-CA 122.79 0.436 . . . . 0.0 110.466 178.783 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 67' ' ' TYR . . . . . . . . . . . . . 76.8 m-85 -130.8 89.95 41.54 Favored Pre-proline 0 C--O 1.234 0.282 0 C-N-CA 124.431 1.092 . . . . 0.0 109.297 179.295 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 68' ' ' PRO . . . . . . . . . . . . . 77.6 Cg_exo -56.93 79.44 0.04 OUTLIER 'Trans proline' 0 N--CA 1.458 -0.602 0 C-N-CA 124.97 3.78 . . . . 0.0 112.753 177.471 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . 93.53 45.69 3.4 Favored Glycine 0 CA--C 1.525 0.661 0 C-N-CA 124.328 0.966 . . . . 0.0 112.106 -179.056 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 70' ' ' TRP . . . . . . . . . . . . . 8.2 t90 -56.31 110.65 0.8 Allowed 'General case' 0 C--N 1.34 0.177 0 N-CA-C 107.072 -1.455 . . . . 0.0 107.072 168.194 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 4.1 m -49.7 117.72 2.42 Favored 'General case' 0 N--CA 1.447 -0.605 0 N-CA-C 107.803 -1.184 . . . . 0.0 107.803 172.395 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -39.6 -64.0 0.52 Allowed 'General case' 0 C--O 1.224 -0.254 0 O-C-N 124.149 0.905 . . . . 0.0 111.126 -169.008 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 73' ' ' ARG . . . . . 0.544 ' HB2' " H4'" ' B' ' 12' ' ' ' DG' 0.432 0.1 OUTLIER -92.07 66.82 5.0 Favored 'General case' 0 CA--C 1.518 -0.263 0 N-CA-C 117.416 2.376 . . . . 0.0 117.416 169.636 . . . . . . . . 4 4 . 1 . 008 nuclear build full ' A' A ' 74' ' ' ASP . . . . . . . . . . . . . 36.0 t70 -64.52 -27.18 68.79 Favored 'General case' 0 CA--C 1.541 0.615 0 N-CA-C 107.558 -1.275 . . . . 0.0 107.558 166.124 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 75' ' ' ASN . . . . . . . . . . . . . 25.3 m120 -135.86 61.37 1.65 Allowed 'General case' 0 CA--C 1.538 0.504 0 C-N-CA 124.524 1.13 . . . . 0.0 112.935 -169.755 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 76' ' ' TYR . . . . . . . . . . . . . 10.6 t80 -90.24 145.02 25.32 Favored 'General case' 0 N--CA 1.47 0.57 0 CA-C-N 119.672 1.123 . . . . 0.0 108.137 169.073 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 53.61 44.6 68.55 Favored Glycine 0 CA--C 1.532 1.136 0 CA-C-N 118.692 0.678 . . . . 0.0 112.489 175.412 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 49.1 mmtm -101.68 -39.38 7.48 Favored 'General case' 0 N--CA 1.457 -0.087 0 C-N-CA 124.186 0.995 . . . . 0.0 109.637 175.979 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 53.7 mttm -70.04 132.32 45.7 Favored 'General case' 0 N--CA 1.45 -0.462 0 N-CA-C 106.004 -1.85 . . . . 0.0 106.004 168.757 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 95.3 mttt -79.98 61.37 3.84 Favored 'General case' 0 CA--C 1.534 0.363 0 C-N-CA 123.686 0.794 . . . . 0.0 109.404 -172.929 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 36.2 ttpt -58.28 107.64 0.51 Allowed 'General case' 0 CA--C 1.534 0.357 0 C-N-CA 124.52 1.128 . . . . 0.0 111.281 -169.72 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 82' ' ' ARG . . . . . . . . . . . . . 4.2 mtt180 -60.95 -43.49 98.62 Favored 'General case' 0 CA--C 1.527 0.087 0 C-N-CA 123.164 0.586 . . . . 0.0 110.208 178.044 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . 27.6 ttpt -78.61 53.09 1.27 Allowed 'General case' 0 CA--C 1.535 0.375 0 C-N-CA 124.683 1.193 . . . . 0.0 110.858 -178.198 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 84' ' ' ARG . . . . . 0.404 HH22 " C5'" ' C' ' 5' ' ' ' DT' . 0.0 OUTLIER -65.33 110.84 2.76 Favored 'General case' 0 N--CA 1.454 -0.264 0 N-CA-C 105.074 -2.195 . . . . 0.0 105.074 169.268 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 43.5 mp0 -72.6 69.69 0.89 Allowed 'General case' 0 CA--C 1.532 0.258 0 C-N-CA 123.847 0.859 . . . . 0.0 110.695 -169.638 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 24.5 pttm . . . . . 0 CA--C 1.531 0.212 0 O-C-N 121.689 -0.632 . . . . 0.0 110.5 -179.676 . . . . . . . . 0 0 . 1 . 008 nuclear build full ' B' B ' 1' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.529 2.263 1 O4'-C1'-N19 111.692 4.864 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 2' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.413 -3.003 1 O4'-C1'-N19 112.18 5.475 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 3' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.421 -2.31 0 P-O3'-C3' 123.565 3.221 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 008 nuclear build full ' B' B ' 4' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.416 -2.753 0 P-O3'-C3' 123.453 3.128 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 008 nuclear build full ' B' B ' 5' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.41 -3.268 0 C4'-C3'-C2' 100.008 -3.192 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 008 nuclear build full ' B' B ' 6' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.412 -3.049 0 O4'-C1'-N19 109.573 2.216 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 008 nuclear build full ' B' B ' 7' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.415 -2.857 0 C4'-C3'-C2' 99.975 -3.225 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 008 nuclear build full ' B' B ' 8' ' ' ' DT' . . . . . 0.404 " H4'" ' CE1' ' A' ' 10' ' ' PHE . . . . . . . . 0 O4'--C4' 1.407 -3.564 0 O4'-C4'-C3' 108.746 3.146 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 9' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.415 -2.824 0 O4'-C1'-N19 110.459 3.324 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 008 nuclear build full ' B' B ' 10' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.532 2.597 0 O4'-C1'-C2' 103.435 -2.423 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 008 nuclear build full ' B' B ' 11' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.529 2.275 2 O4'-C1'-N19 114.255 8.069 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 12' ' ' ' DG' . . . . . 0.544 " H4'" ' HB2' ' A' ' 73' ' ' ARG . . . . . . . . 0 O4'--C4' 1.417 -2.67 1 O4'-C4'-C3' 110.237 4.637 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 13' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.409 -3.362 1 O4'-C1'-N19 111.532 4.665 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 14' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.532 2.676 0 O4'-C1'-N19 110.432 3.289 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 008 nuclear build full ' B' B ' 15' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.411 -3.201 0 O4'-C1'-N19 109.921 2.651 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 008 nuclear build full ' C' C ' 1' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.416 -2.747 1 O4'-C1'-N19 112.141 5.426 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 008 nuclear build full ' C' C ' 2' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.531 2.525 0 O4'-C1'-C2' 102.929 -2.882 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 008 nuclear build full ' C' C ' 3' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.417 -2.634 2 O4'-C1'-N19 115.752 9.94 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 008 nuclear build full ' C' C ' 4' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.534 2.903 0 P-O3'-C3' 122.599 2.416 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 008 nuclear build full ' C' C ' 5' ' ' ' DT' . . . . . 0.404 " C5'" HH22 ' A' ' 84' ' ' ARG . . . . . . . . 0 O4'--C4' 1.41 -3.27 0 O4'-C1'-N19 110.827 3.783 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 008 nuclear build full ' C' C ' 6' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.531 2.481 1 O4'-C1'-N19 111.358 4.447 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 008 nuclear build full ' C' C ' 7' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.417 -2.665 0 O4'-C4'-C3' 109.207 3.607 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 008 nuclear build full ' C' C ' 8' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.405 -3.772 2 C4'-C3'-C2' 98.493 -4.707 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 008 nuclear build full ' C' C ' 9' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.411 -3.21 0 C5'-C4'-C3' 111.289 -2.274 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 008 nuclear build full ' C' C ' 10' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.416 -2.761 1 O4'-C1'-N19 111.34 4.425 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 008 nuclear build full ' C' C ' 11' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.535 2.982 0 O4'-C4'-C3' 108.004 2.404 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 008 nuclear build full ' C' C ' 12' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.531 2.533 0 O3'-P-O5' 98.629 -2.827 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 008 nuclear build full ' C' C ' 13' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.414 -2.904 0 O4'-C1'-C2' 102.649 -3.138 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 008 nuclear build full ' C' C ' 14' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.41 -3.243 0 O4'-C1'-C2' 102.997 -2.821 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 008 nuclear build full ' C' C ' 15' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.419 -2.438 1 O4'-C1'-N19 111.947 5.184 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 65.9 mtm . . . . . 0 CA--C 1.531 0.222 0 CA-C-O 121.129 0.49 . . . . 0.0 109.702 . . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A ' 2' ' ' HIS . . . . . . . . . . . . . 16.5 m-70 -67.85 85.25 0.21 Allowed 'General case' 0 N--CA 1.455 -0.206 0 C-N-CA 123.525 0.73 . . . . 0.0 109.664 -179.846 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . 63.8 mt -77.99 108.4 11.27 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.382 0 N-CA-C 104.851 -2.278 . . . . 0.0 104.851 173.559 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 9.5 mmpt? -57.64 145.73 33.03 Favored 'General case' 0 N--CA 1.448 -0.567 0 CA-C-N 114.756 -1.111 . . . . 0.0 110.211 -171.164 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 10.8 mptt -76.97 161.46 73.48 Favored Pre-proline 0 N--CA 1.454 -0.23 0 C-N-CA 124.746 1.218 . . . . 0.0 110.006 -177.516 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 59.6 Cg_endo -66.04 98.85 0.38 Allowed 'Trans proline' 0 N--CA 1.451 -1.015 0 C-N-CA 122.312 2.008 . . . . 0.0 109.719 172.353 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 2.9 mm? -39.47 106.05 0.05 OUTLIER 'General case' 0 CA--C 1.533 0.295 0 C-N-CA 126.686 1.994 . . . . 0.0 110.984 172.991 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 12.3 p-10 -80.15 175.94 10.2 Favored 'General case' 0 N--CA 1.449 -0.485 0 C-N-CA 124.845 1.258 . . . . 0.0 111.251 -178.977 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -38.72 -69.09 0.13 Allowed 'General case' 0 N--CA 1.454 -0.239 0 C-N-CA 125.977 1.711 . . . . 0.0 113.946 -169.0 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 10' ' ' PHE . . . . . . . . . . . . . 4.3 m-85 -68.52 -20.49 64.57 Favored 'General case' 0 N--CA 1.452 -0.357 0 O-C-N 121.699 -0.626 . . . . 0.0 111.489 -170.436 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 11' ' ' MET . . . . . . . . . . . . . 78.0 mmm -75.49 -38.47 59.49 Favored 'General case' 0 N--CA 1.45 -0.447 0 N-CA-C 108.953 -0.758 . . . . 0.0 108.953 178.69 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 65.7 mt -63.91 -44.99 91.27 Favored 'General case' 0 N--CA 1.461 0.101 0 O-C-N 121.655 -0.653 . . . . 0.0 109.288 169.831 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 20.4 t80 -54.24 -46.54 72.59 Favored 'General case' 0 CA--C 1.529 0.145 0 N-CA-C 109.586 -0.524 . . . . 0.0 109.586 178.614 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 14' ' ' MET . . . . . . . . . . . . . 32.0 ttm -53.45 -62.51 1.61 Allowed 'General case' 0 N--CA 1.45 -0.454 0 C-N-CA 123.407 0.683 . . . . 0.0 110.119 170.723 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 18.9 mttt -46.37 -43.96 16.6 Favored 'General case' 0 CA--C 1.536 0.416 0 CA-C-N 118.804 0.729 . . . . 0.0 111.976 -176.852 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 47.2 mt-10 -71.0 -66.19 0.64 Allowed 'General case' 0 CA--C 1.537 0.457 0 C-N-CA 123.132 0.573 . . . . 0.0 111.882 178.71 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 17' ' ' MET . . . . . . . . . . . . . 9.2 mtp -81.42 -29.26 33.95 Favored 'General case' 0 C--O 1.227 -0.102 0 N-CA-C 114.635 1.346 . . . . 0.0 114.635 -169.002 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 7.2 tmm_? -55.33 -43.85 75.33 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 119.338 0.972 . . . . 0.0 111.114 -173.636 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -52.77 -47.88 67.2 Favored 'General case' 0 CA--C 1.533 0.319 0 O-C-N 121.99 -0.444 . . . . 0.0 110.762 172.685 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 20' ' ' ASN . . . . . . . . . . . . . 3.1 t30 -60.56 -50.43 73.56 Favored 'General case' 0 C--O 1.223 -0.306 0 N-CA-C 109.657 -0.498 . . . . 0.0 109.657 177.066 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 78.5 t -50.46 -51.25 19.32 Favored 'Isoleucine or valine' 0 N--CA 1.46 0.066 0 CA-C-N 118.893 0.77 . . . . 0.0 110.438 178.053 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 49.9 t -61.27 -37.18 76.99 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.374 0 C-N-CA 122.699 0.4 . . . . 0.0 110.038 -178.275 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -66.11 -46.3 78.08 Favored 'General case' 0 CA--C 1.538 0.482 0 O-C-N 121.762 -0.586 . . . . 0.0 112.306 173.908 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 28.9 mt-10 -69.97 -53.44 17.76 Favored 'General case' 0 CA--C 1.53 0.193 0 C-N-CA 123.085 0.554 . . . . 0.0 111.272 -175.662 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 53.3 p -84.2 175.86 9.16 Favored 'General case' 0 N--CA 1.451 -0.394 0 C-N-CA 124.005 0.922 . . . . 0.0 110.649 -169.867 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 4.3 p -83.39 -9.35 59.09 Favored 'General case' 0 N--CA 1.447 -0.585 0 C-N-CA 123.621 0.768 . . . . 0.0 111.24 169.9 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -90.55 155.7 18.69 Favored 'General case' 0 N--CA 1.448 -0.556 0 CA-C-O 122.264 1.03 . . . . 0.0 112.863 -169.694 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 7.9 mptt -137.64 -41.83 0.55 Allowed 'General case' 0 N--CA 1.45 -0.468 0 CA-C-N 113.573 -1.648 . . . . 0.0 109.081 173.729 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 2.9 mp0 -39.07 107.13 0.06 Allowed 'General case' 0 C--O 1.236 0.382 0 C-N-CA 127.257 2.223 . . . . 0.0 110.215 -177.888 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 12.1 t -54.49 -47.59 72.85 Favored 'General case' 0 N--CA 1.448 -0.56 0 CA-C-O 119.014 -0.517 . . . . 0.0 112.227 -168.583 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -55.86 -40.35 72.77 Favored 'General case' 0 CA--C 1.535 0.384 0 CA-C-N 120.192 1.36 . . . . 0.0 112.922 -178.278 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -70.17 -51.03 34.43 Favored 'General case' 0 CA--C 1.53 0.192 0 CA-C-O 121.708 0.765 . . . . 0.0 109.746 176.462 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 33' ' ' ILE . . . . . . . . . . . . . 6.8 mm -52.86 -37.63 26.22 Favored 'Isoleucine or valine' 0 CA--C 1.545 0.783 0 C-N-CA 124.582 1.153 . . . . 0.0 111.833 178.702 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 80.5 m-20 -71.39 -36.96 71.57 Favored 'General case' 0 C--N 1.328 -0.34 0 O-C-N 120.551 -1.343 . . . . 0.0 109.713 -179.039 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 38.5 mt-30 -65.38 -37.22 86.34 Favored 'General case' 0 CA--C 1.533 0.322 0 O-C-N 121.797 -0.564 . . . . 0.0 110.036 169.594 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 18.3 mt -54.84 -48.6 73.74 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.316 0 CA-C-N 119.089 0.858 . . . . 0.0 110.39 169.927 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 4.2 mm? -54.54 -50.1 68.71 Favored 'General case' 0 CA--C 1.538 0.505 0 CA-C-N 120.008 1.277 . . . . 0.0 109.584 173.607 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -47.61 -48.18 23.01 Favored Glycine 0 CA--C 1.533 1.157 0 C-N-CA 123.483 0.564 . . . . 0.0 112.296 176.994 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -61.83 -63.84 1.13 Allowed 'General case' 0 N--CA 1.448 -0.543 0 C-N-CA 123.803 0.841 . . . . 0.0 109.998 175.074 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 83.0 mtt180 -55.52 -30.36 60.56 Favored 'General case' 0 C--O 1.231 0.094 0 C-N-CA 123.971 0.908 . . . . 0.0 112.084 -169.616 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 41' ' ' TRP . . . . . . . . . . . . . 60.6 t-105 -40.67 -43.53 1.96 Allowed 'General case' 0 N--CA 1.454 -0.255 0 C-N-CA 123.295 0.638 . . . . 0.0 112.476 171.267 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 42' ' ' HIS . . . . . . . . . . . . . 73.9 m80 -59.53 -20.75 57.8 Favored 'General case' 0 CA--C 1.533 0.303 0 N-CA-C 112.841 0.682 . . . . 0.0 112.841 -174.952 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -79.29 -18.26 53.01 Favored 'General case' 0 CA--C 1.534 0.349 0 C-N-CA 122.998 0.519 . . . . 0.0 111.953 177.073 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 28.4 mt -66.28 125.81 26.76 Favored 'General case' 0 CA--C 1.532 0.287 0 CA-C-N 118.882 0.765 . . . . 0.0 110.295 -179.363 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 80.0 p -56.65 160.79 3.1 Favored 'General case' 0 CA--C 1.531 0.232 0 N-CA-C 109.993 -0.373 . . . . 0.0 109.993 169.464 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 59.7 ttp180 -44.11 -46.12 8.48 Favored 'General case' 0 CA--C 1.535 0.369 0 C-N-CA 123.589 0.756 . . . . 0.0 111.027 172.822 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 48.8 mp0 -67.27 -49.57 63.8 Favored 'General case' 0 N--CA 1.452 -0.361 0 C-N-CA 123.616 0.767 . . . . 0.0 111.095 -178.761 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 33.9 mt-10 -55.36 -43.21 74.87 Favored 'General case' 0 C--O 1.224 -0.283 0 O-C-N 122.265 -0.272 . . . . 0.0 110.623 176.079 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 72.3 mt-30 -58.49 -58.88 6.57 Favored 'General case' 0 N--CA 1.455 -0.225 0 N-CA-C 109.1 -0.704 . . . . 0.0 109.1 174.219 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -45.61 -43.76 12.52 Favored 'General case' 0 C--O 1.235 0.327 0 C-N-CA 124.268 1.027 . . . . 0.0 112.325 -178.366 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 1.7 pttp -47.64 -40.91 20.89 Favored 'General case' 0 CA--C 1.533 0.31 0 C-N-CA 122.644 0.378 . . . . 0.0 111.437 178.018 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 52' ' ' TYR . . . . . . . . . . . . . 48.4 m-85 -65.31 -33.26 75.56 Favored 'General case' 0 N--CA 1.453 -0.307 0 N-CA-C 113.013 0.746 . . . . 0.0 113.013 -179.445 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 53' ' ' TYR . . . . . . . . . . . . . 40.7 m-85 -73.51 -42.78 61.36 Favored 'General case' 0 N--CA 1.45 -0.443 0 N-CA-C 107.277 -1.379 . . . . 0.0 107.277 -177.343 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 42.8 mt-10 -53.95 -61.53 2.24 Favored 'General case' 0 CA--C 1.535 0.373 0 CA-C-N 116.15 -0.477 . . . . 0.0 109.985 170.031 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 5.1 mp -48.58 -51.07 29.7 Favored 'General case' 0 C--O 1.224 -0.237 0 C-N-CA 124.247 1.019 . . . . 0.0 113.294 176.559 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -54.19 -45.09 72.07 Favored 'General case' 0 CA--C 1.533 0.303 0 CA-C-N 118.542 0.61 . . . . 0.0 109.824 177.914 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 75.9 mtp180 -63.06 -38.29 90.6 Favored 'General case' 0 CA--C 1.538 0.51 0 O-C-N 122.023 -0.423 . . . . 0.0 111.556 175.05 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 70.5 mmtt -58.67 -48.73 80.09 Favored 'General case' 0 C--O 1.224 -0.287 0 O-C-N 120.976 -1.077 . . . . 0.0 110.286 172.978 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 36.5 mm-40 -56.29 -50.96 69.9 Favored 'General case' 0 CA--C 1.532 0.255 0 C-N-CA 123.161 0.584 . . . . 0.0 110.662 177.326 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 60' ' ' ARG . . . . . . . . . . . . . 16.9 ttt85 -47.64 -57.29 5.67 Favored 'General case' 0 CA--C 1.534 0.342 0 C-N-CA 124.042 0.937 . . . . 0.0 110.472 173.839 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 61' ' ' GLN . . . . . . . . . . . . . 31.9 mt-30 -61.72 -52.43 64.31 Favored 'General case' 0 CA--C 1.531 0.248 0 O-C-N 122.119 -0.363 . . . . 0.0 110.676 -177.087 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 42.2 tp -46.61 -49.87 18.36 Favored 'General case' 0 CA--C 1.523 -0.077 0 C-N-CA 124.703 1.201 . . . . 0.0 109.667 177.102 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 63' ' ' HIS . . . . . . . . . . . . . 5.8 t-80 -51.32 -37.41 47.55 Favored 'General case' 0 CA--C 1.533 0.291 0 C-N-CA 123.403 0.681 . . . . 0.0 112.435 -179.941 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 64' ' ' MET . . . . . . . . . . . . . 75.0 mtp -66.24 -31.23 71.93 Favored 'General case' 0 C--O 1.224 -0.257 0 CA-C-N 118.387 0.54 . . . . 0.0 110.869 177.34 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 65' ' ' GLN . . . . . . . . . . . . . 68.0 mt-30 -78.27 -44.42 25.51 Favored 'General case' 0 N--CA 1.454 -0.254 0 N-CA-C 108.284 -1.006 . . . . 0.0 108.284 -179.665 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 46.4 mt -56.99 -45.43 82.96 Favored 'General case' 0 CA--C 1.532 0.256 0 C-N-CA 122.856 0.462 . . . . 0.0 110.336 175.382 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 67' ' ' TYR . . . . . . . . . . . . . 81.9 m-85 -133.93 86.06 38.91 Favored Pre-proline 0 CA--C 1.534 0.351 0 C-N-CA 123.949 0.9 . . . . 0.0 110.578 -176.888 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 68' ' ' PRO . . . . . . . . . . . . . 63.3 Cg_exo -42.18 -39.04 5.78 Favored 'Trans proline' 0 C--N 1.346 0.414 0 C-N-CA 125.16 3.907 . . . . 0.0 114.354 178.304 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . -133.16 51.39 0.85 Allowed Glycine 0 C--N 1.337 0.609 0 CA-C-O 119.744 -0.475 . . . . 0.0 112.084 175.92 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 70' ' ' TRP . . . . . 0.408 ' CZ2' ' O ' ' A' ' 72' ' ' ALA . 10.0 t90 -61.4 108.26 0.91 Allowed 'General case' 0 C--N 1.339 0.14 0 N-CA-C 106.827 -1.546 . . . . 0.0 106.827 168.202 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 2.4 m -53.88 111.78 0.81 Allowed 'General case' 0 N--CA 1.448 -0.554 0 N-CA-C 106.744 -1.576 . . . . 0.0 106.744 169.778 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 72' ' ' ALA . . . . . 0.408 ' O ' ' CZ2' ' A' ' 70' ' ' TRP . . . -39.78 -65.62 0.37 Allowed 'General case' 0 C--O 1.225 -0.233 0 O-C-N 124.246 0.967 . . . . 0.0 111.092 -169.155 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 73' ' ' ARG . . . . . 0.447 ' CG ' " H4'" ' B' ' 12' ' ' ' DG' 0.33 0.1 OUTLIER -90.75 74.21 6.61 Favored 'General case' 0 N--CA 1.451 -0.382 0 C-N-CA 118.957 -1.097 . . . . 0.0 113.934 173.103 . . . . . . . . 4 4 . 1 . 009 nuclear build full ' A' A ' 74' ' ' ASP . . . . . . . . . . . . . 9.9 p-10 -57.93 -36.4 72.45 Favored 'General case' 0 CA--C 1.535 0.38 0 CA-C-N 115.078 -0.965 . . . . 0.0 110.206 169.083 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 75' ' ' ASN . . . . . . . . . . . . . 32.4 m-80 -147.15 78.52 1.48 Allowed 'General case' 0 C--N 1.34 0.165 0 C-N-CA 124.333 1.053 . . . . 0.0 109.736 -173.389 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 76' ' ' TYR . . . . . . . . . . . . . 30.6 t80 -91.3 144.61 25.42 Favored 'General case' 0 N--CA 1.466 0.373 0 C-N-CA 124.224 1.01 . . . . 0.0 110.239 169.656 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 63.01 26.89 69.57 Favored Glycine 0 CA--C 1.531 1.068 0 CA-C-O 119.721 -0.488 . . . . 0.0 113.822 171.364 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 33.2 mmtp -93.81 -43.48 8.58 Favored 'General case' 0 CA--C 1.53 0.199 0 C-N-CA 124.097 0.959 . . . . 0.0 111.084 -177.516 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 60.4 mttm -60.89 143.17 55.48 Favored 'General case' 0 C--O 1.234 0.266 0 N-CA-C 109.065 -0.717 . . . . 0.0 109.065 176.915 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 34.1 mmtp -76.44 71.41 3.1 Favored 'General case' 0 N--CA 1.453 -0.301 0 C-N-CA 123.203 0.601 . . . . 0.0 109.455 -179.432 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 7.3 ptmm? -82.24 65.21 7.27 Favored 'General case' 0 CA--C 1.537 0.448 0 N-CA-C 113.924 1.083 . . . . 0.0 113.924 -171.646 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 82' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER 17.19 -68.03 0.0 OUTLIER 'General case' 0 N--CA 1.464 0.266 0 C-N-CA 129.903 3.281 . . . . 0.0 117.254 168.208 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . 2.7 mptp? -53.42 -37.85 62.92 Favored 'General case' 0 CA--C 1.534 0.333 0 C-N-CA 124.29 1.036 . . . . 0.0 110.818 -175.708 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 84' ' ' ARG . . . . . . . . . . . . . 48.8 ttp180 -60.34 -56.1 25.57 Favored 'General case' 0 CA--C 1.531 0.234 0 N-CA-C 109.095 -0.706 . . . . 0.0 109.095 172.633 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 3.4 mp0 -73.63 46.22 0.21 Allowed 'General case' 0 CA--C 1.539 0.524 0 C-N-CA 124.131 0.972 . . . . 0.0 110.712 173.784 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 57.1 mttp . . . . . 0 CA--C 1.532 0.256 0 C-N-CA 124.326 1.05 . . . . 0.0 110.845 -169.795 . . . . . . . . 0 0 . 1 . 009 nuclear build full ' B' B ' 1' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.53 2.344 1 O4'-C1'-N19 112.046 5.308 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 2' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.418 -2.58 1 O4'-C1'-N19 111.012 4.015 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 3' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.531 2.44 0 O4'-C1'-N19 110.691 3.614 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 009 nuclear build full ' B' B ' 4' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.403 -3.87 0 P-O3'-C3' 123.226 2.939 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 009 nuclear build full ' B' B ' 5' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.41 -3.284 0 P-O3'-C3' 122.626 2.438 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 009 nuclear build full ' B' B ' 6' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.413 -2.992 0 C5'-C4'-C3' 111.111 -2.393 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 009 nuclear build full ' B' B ' 7' ' ' ' DT' . . . . . 0.407 " H2'" ' C6 ' ' B' ' 8' ' ' ' DT' . . . . . . . . 0 O4'--C4' 1.418 -2.556 0 C4'-C3'-C2' 100.63 -2.57 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 8' ' ' ' DT' . . . . . 0.407 ' C6 ' " H2'" ' B' ' 7' ' ' ' DT' . . . . . . . . 0 O4'--C4' 1.409 -3.363 0 O4'-C4'-C3' 109.192 3.592 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 9' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.533 2.806 0 P-O3'-C3' 123.148 2.873 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 009 nuclear build full ' B' B ' 10' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.535 2.967 0 P-O3'-C3' 122.711 2.509 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 009 nuclear build full ' B' B ' 11' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.53 2.404 2 O4'-C1'-N19 114.666 8.582 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 12' ' ' ' DG' . . . . . 0.447 " H4'" ' CG ' ' A' ' 73' ' ' ARG . . . . . . . . 0 O4'--C4' 1.419 -2.454 2 O4'-C4'-C3' 110.139 4.539 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 13' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.411 -3.189 1 O4'-C1'-N19 111.34 4.425 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 14' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.532 2.682 0 O4'-C1'-N19 110.009 2.761 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 009 nuclear build full ' B' B ' 15' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.411 -3.142 0 O4'-C1'-N19 109.739 2.424 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 009 nuclear build full ' C' C ' 1' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.415 -2.8 1 O4'-C1'-N19 112.064 5.331 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 009 nuclear build full ' C' C ' 2' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.532 2.597 0 O4'-C1'-C2' 102.951 -2.862 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 009 nuclear build full ' C' C ' 3' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.416 -2.701 2 O4'-C1'-N19 115.323 9.403 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 009 nuclear build full ' C' C ' 4' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.534 2.885 0 O4'-C4'-C3' 108.003 2.403 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 009 nuclear build full ' C' C ' 5' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.41 -3.292 0 O4'-C1'-N19 110.596 3.495 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 009 nuclear build full ' C' C ' 6' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.417 -2.631 2 O4'-C1'-N19 111.729 4.912 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 009 nuclear build full ' C' C ' 7' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.42 -2.347 0 O4'-C1'-N19 110.31 3.138 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 009 nuclear build full ' C' C ' 8' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.405 -3.768 2 C4'-C3'-C2' 97.666 -5.534 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 009 nuclear build full ' C' C ' 9' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.409 -3.378 0 O4'-C1'-N19 105.483 -2.896 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 009 nuclear build full ' C' C ' 10' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.417 -2.682 1 O4'-C1'-N19 111.64 4.8 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 009 nuclear build full ' C' C ' 11' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.415 -2.8 0 O4'-C1'-N19 109.906 2.632 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 009 nuclear build full ' C' C ' 12' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.531 2.549 0 O4'-C1'-N19 110.542 3.427 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 009 nuclear build full ' C' C ' 13' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.534 2.921 0 O4'-C4'-C3' 108.092 2.492 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 009 nuclear build full ' C' C ' 14' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.41 -3.301 0 C1'-O4'-C4' 105.448 -3.037 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 009 nuclear build full ' C' C ' 15' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.532 2.577 1 O4'-C1'-N19 111.915 5.144 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 27.2 ptt? . . . . . 0 N--CA 1.45 -0.429 0 N-CA-C 108.906 -0.775 . . . . 0.0 108.906 . . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A ' 2' ' ' HIS . . . . . . . . . . . . . 8.2 m-70 -65.33 102.02 0.63 Allowed 'General case' 0 CA--C 1.53 0.174 0 N-CA-C 109.1 -0.704 . . . . 0.0 109.1 173.665 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . 24.4 mt -79.02 125.45 38.4 Favored 'Isoleucine or valine' 0 N--CA 1.449 -0.493 0 N-CA-C 106.828 -1.545 . . . . 0.0 106.828 173.851 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -62.25 119.97 10.05 Favored 'General case' 0 N--CA 1.447 -0.587 0 N-CA-C 108.504 -0.924 . . . . 0.0 108.504 173.713 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 5.2 mptp? -56.82 156.19 13.32 Favored Pre-proline 0 CA--C 1.536 0.411 0 C-N-CA 123.959 0.904 . . . . 0.0 109.416 178.317 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 61.7 Cg_endo -65.65 91.95 0.24 Allowed 'Trans proline' 0 N--CA 1.45 -1.073 0 C-N-CA 122.024 1.816 . . . . 0.0 109.332 171.404 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 9.4 mp -39.29 123.5 1.41 Allowed 'General case' 0 CA--C 1.527 0.087 0 C-N-CA 125.784 1.634 . . . . 0.0 112.578 177.832 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 5.5 p30 -75.82 176.77 7.47 Favored 'General case' 0 N--CA 1.446 -0.659 0 CA-C-O 122.284 1.04 . . . . 0.0 111.521 175.639 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 9' ' ' ALA . . . . . 0.424 ' CB ' ' HB3' ' A' ' 52' ' ' TYR . . . -38.79 -62.33 0.63 Allowed 'General case' 0 N--CA 1.448 -0.564 0 C-N-CA 127.028 2.131 . . . . 0.0 113.986 -179.565 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 10' ' ' PHE . . . . . . . . . . . . . 5.4 m-85 -69.22 -25.41 64.29 Favored 'General case' 0 N--CA 1.455 -0.195 0 O-C-N 121.337 -0.852 . . . . 0.0 111.567 -169.278 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 11' ' ' MET . . . . . . . . . . . . . 60.6 mmm -65.83 -36.52 83.7 Favored 'General case' 0 CA--C 1.532 0.268 0 N-CA-C 109.134 -0.691 . . . . 0.0 109.134 177.612 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 57.4 mt -72.48 -43.77 63.23 Favored 'General case' 0 CA--C 1.521 -0.158 0 O-C-N 121.851 -0.531 . . . . 0.0 109.902 174.523 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 19.4 t80 -53.94 -47.28 71.43 Favored 'General case' 0 C--N 1.34 0.195 0 N-CA-C 109.3 -0.63 . . . . 0.0 109.3 178.861 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 14' ' ' MET . . . . . . . . . . . . . 16.1 ttm -54.13 -63.02 1.28 Allowed 'General case' 0 N--CA 1.444 -0.726 0 C-N-CA 124.124 0.97 . . . . 0.0 110.313 170.041 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 15.7 mmtt -43.93 -43.64 6.61 Favored 'General case' 0 CA--C 1.537 0.469 0 CA-C-N 120.2 1.364 . . . . 0.0 112.453 -178.029 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 45.7 mt-10 -71.31 -64.57 0.89 Allowed 'General case' 0 CA--C 1.538 0.505 0 C-N-CA 123.074 0.549 . . . . 0.0 112.106 178.496 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 17' ' ' MET . . . . . . . . . . . . . 4.1 mtp -79.87 -31.84 40.4 Favored 'General case' 0 C--O 1.224 -0.279 0 N-CA-C 114.074 1.138 . . . . 0.0 114.074 -169.057 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 7.4 tmm_? -56.63 -44.36 81.15 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 121.445 -0.784 . . . . 0.0 111.704 -170.051 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -53.53 -46.67 70.22 Favored 'General case' 0 CA--C 1.532 0.26 0 O-C-N 121.819 -0.551 . . . . 0.0 110.395 172.887 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 20' ' ' ASN . . . . . . . . . . . . . 47.8 t30 -59.15 -53.74 54.88 Favored 'General case' 0 C--O 1.221 -0.416 0 N-CA-C 109.235 -0.654 . . . . 0.0 109.235 176.961 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 71.9 t -47.22 -51.41 6.06 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.315 0 CA-C-N 118.898 0.772 . . . . 0.0 111.242 175.907 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 42.3 t -61.81 -36.23 72.49 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.37 0 C-N-CA 122.441 0.296 . . . . 0.0 110.342 -177.651 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -68.29 -42.81 78.94 Favored 'General case' 0 CA--C 1.54 0.574 0 O-C-N 121.885 -0.509 . . . . 0.0 112.154 173.315 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 47.5 mt-10 -67.51 -55.21 14.42 Favored 'General case' 0 CA--C 1.531 0.216 0 C-N-CA 124.546 1.139 . . . . 0.0 111.175 -176.769 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 56.0 p -89.53 175.99 7.07 Favored 'General case' 0 N--CA 1.45 -0.46 0 C-N-CA 125.013 1.325 . . . . 0.0 110.795 -169.406 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 4.4 p -81.22 -15.47 55.55 Favored 'General case' 0 N--CA 1.448 -0.542 0 C-N-CA 123.727 0.811 . . . . 0.0 111.141 169.973 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -83.17 162.57 21.22 Favored 'General case' 0 N--CA 1.447 -0.582 0 CA-C-O 122.418 1.104 . . . . 0.0 113.308 -169.643 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 1.2 mptp? -145.27 -44.11 0.22 Allowed 'General case' 0 N--CA 1.45 -0.458 0 CA-C-N 113.193 -1.821 . . . . 0.0 109.528 176.209 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 44.9 mt-10 -39.88 105.11 0.04 OUTLIER 'General case' 0 C--N 1.343 0.295 0 C-N-CA 125.733 1.613 . . . . 0.0 109.738 -176.181 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 22.4 t -51.55 -47.55 63.38 Favored 'General case' 0 C--O 1.22 -0.458 0 O-C-N 123.67 0.607 . . . . 0.0 110.655 -169.076 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -54.21 -37.78 64.94 Favored 'General case' 0 CA--C 1.535 0.38 0 N-CA-C 113.452 0.908 . . . . 0.0 113.452 -179.961 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -75.74 -51.35 12.87 Favored 'General case' 0 CA--C 1.531 0.237 0 CA-C-N 119.052 0.842 . . . . 0.0 109.707 176.553 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 33' ' ' ILE . . . . . . . . . . . . . 6.5 mm -50.81 -34.93 13.6 Favored 'Isoleucine or valine' 0 CA--C 1.545 0.75 0 C-N-CA 125.251 1.42 . . . . 0.0 111.91 178.024 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 84.0 m-20 -73.85 -31.86 63.39 Favored 'General case' 0 C--N 1.331 -0.221 0 C-N-CA 124.769 1.227 . . . . 0.0 110.659 179.728 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 43.8 mt-30 -70.75 -39.28 73.38 Favored 'General case' 0 CA--C 1.533 0.315 0 O-C-N 121.865 -0.522 . . . . 0.0 109.751 170.564 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 6.3 mt -51.51 -53.65 15.28 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.381 0 N-CA-C 108.765 -0.828 . . . . 0.0 108.765 169.507 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 10.1 mt -58.53 -41.54 85.76 Favored 'General case' 0 CA--C 1.534 0.34 0 O-C-N 121.8 -0.563 . . . . 0.0 111.413 178.528 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -48.46 -52.27 19.62 Favored Glycine 0 CA--C 1.529 0.914 0 C-N-CA 123.786 0.707 . . . . 0.0 111.435 171.492 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -58.33 -54.8 42.87 Favored 'General case' 0 N--CA 1.447 -0.583 0 O-C-N 121.568 -0.96 . . . . 0.0 110.14 173.315 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 79.9 mtt180 -60.83 -23.91 65.46 Favored 'General case' 0 C--O 1.232 0.138 0 O-C-N 122.026 -0.421 . . . . 0.0 111.73 -169.957 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 41' ' ' TRP . . . . . . . . . . . . . 65.1 t-105 -48.28 -41.93 29.35 Favored 'General case' 0 N--CA 1.451 -0.416 0 CA-C-N 118.569 0.622 . . . . 0.0 111.288 171.297 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 42' ' ' HIS . . . . . . . . . . . . . 71.6 m80 -61.09 -19.96 62.06 Favored 'General case' 0 CA--C 1.532 0.267 0 C-N-CA 123.846 0.858 . . . . 0.0 112.34 -175.465 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -78.99 -20.04 50.1 Favored 'General case' 0 CA--C 1.534 0.36 0 C-N-CA 122.55 0.34 . . . . 0.0 111.585 176.67 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 28.1 mt -66.77 125.73 26.79 Favored 'General case' 0 C--O 1.235 0.309 0 CA-C-N 118.885 0.766 . . . . 0.0 110.498 -179.597 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 86.1 p -59.03 154.8 14.82 Favored 'General case' 0 CA--C 1.531 0.235 0 N-CA-C 108.103 -1.073 . . . . 0.0 108.103 168.809 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -54.4 -33.12 58.71 Favored 'General case' 0 CA--C 1.537 0.445 0 O-C-N 121.816 -0.553 . . . . 0.0 110.994 -177.611 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 2.4 mp0 -63.56 -52.53 60.64 Favored 'General case' 0 CA--C 1.532 0.267 0 C-N-CA 123.883 0.873 . . . . 0.0 110.934 174.26 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 37.2 mt-10 -56.4 -42.87 78.68 Favored 'General case' 0 C--O 1.224 -0.244 0 N-CA-C 110.275 -0.268 . . . . 0.0 110.275 176.063 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 74.9 mt-30 -55.24 -59.88 4.17 Favored 'General case' 0 N--CA 1.454 -0.233 0 N-CA-C 109.19 -0.671 . . . . 0.0 109.19 174.158 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -47.36 -43.19 22.96 Favored 'General case' 0 CA--C 1.533 0.307 0 C-N-CA 123.96 0.904 . . . . 0.0 112.21 -178.865 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 10.0 pttt -46.56 -41.88 15.04 Favored 'General case' 0 CA--C 1.534 0.355 0 C-N-CA 122.744 0.418 . . . . 0.0 111.554 176.948 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 52' ' ' TYR . . . . . 0.424 ' HB3' ' CB ' ' A' ' 9' ' ' ALA . 44.6 m-85 -63.74 -34.02 76.96 Favored 'General case' 0 CA--C 1.517 -0.327 0 N-CA-C 112.911 0.708 . . . . 0.0 112.911 -179.127 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 53' ' ' TYR . . . . . . . . . . . . . 29.8 m-85 -72.25 -42.86 65.17 Favored 'General case' 0 N--CA 1.449 -0.482 0 N-CA-C 107.073 -1.454 . . . . 0.0 107.073 -176.475 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 42.2 mt-10 -53.79 -61.33 2.37 Favored 'General case' 0 CA--C 1.534 0.352 0 CA-C-N 116.372 -0.376 . . . . 0.0 110.009 169.91 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 5.2 mp -45.99 -54.19 8.78 Favored 'General case' 0 C--O 1.225 -0.22 0 C-N-CA 124.263 1.025 . . . . 0.0 112.891 176.542 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -49.29 -46.63 46.74 Favored 'General case' 0 CA--C 1.534 0.331 0 CA-C-O 121.12 0.486 . . . . 0.0 109.774 179.039 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 15.7 mtt-85 -71.58 -35.21 70.47 Favored 'General case' 0 CA--C 1.535 0.401 0 CA-C-O 118.996 -0.525 . . . . 0.0 112.312 179.661 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 68.3 mmtt -58.95 -49.44 77.83 Favored 'General case' 0 CA--C 1.531 0.231 0 CA-C-N 120.013 1.278 . . . . 0.0 110.398 171.043 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -56.63 -45.5 81.51 Favored 'General case' 0 CA--C 1.531 0.241 0 C-N-CA 123.571 0.748 . . . . 0.0 109.549 176.118 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 60' ' ' ARG . . . . . . . . . . . . . 44.1 ttt-85 -55.26 -52.53 63.11 Favored 'General case' 0 CA--C 1.538 0.487 0 C-N-CA 123.129 0.571 . . . . 0.0 111.428 174.343 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 61' ' ' GLN . . . . . . . . . . . . . 57.3 mt-30 -57.15 -50.71 71.98 Favored 'General case' 0 CA--C 1.53 0.19 0 C-N-CA 123.799 0.839 . . . . 0.0 109.998 -179.215 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 46.3 tp -53.19 -52.83 57.58 Favored 'General case' 0 N--CA 1.456 -0.135 0 N-CA-C 109.508 -0.553 . . . . 0.0 109.508 174.389 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 63' ' ' HIS . . . . . . . . . . . . . 16.6 t-80 -51.52 -42.25 61.61 Favored 'General case' 0 N--CA 1.454 -0.262 0 C-N-CA 124.875 1.27 . . . . 0.0 111.763 -178.369 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 64' ' ' MET . . . . . . . . . . . . . 86.8 mtp -57.74 -33.98 69.04 Favored 'General case' 0 CA--C 1.535 0.389 0 CA-C-N 118.588 0.631 . . . . 0.0 111.852 175.664 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 65' ' ' GLN . . . . . . . . . . . . . 77.1 mt-30 -78.79 -42.86 26.8 Favored 'General case' 0 CA--C 1.529 0.166 0 N-CA-C 109.075 -0.713 . . . . 0.0 109.075 179.425 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 24.0 mt -53.97 -39.87 66.36 Favored 'General case' 0 CA--C 1.532 0.27 0 C-N-CA 122.492 0.317 . . . . 0.0 110.346 173.797 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 67' ' ' TYR . . . . . . . . . . . . . 99.2 m-85 -138.39 88.31 14.86 Favored Pre-proline 0 N--CA 1.452 -0.33 0 C-N-CA 124.053 0.941 . . . . 0.0 111.357 -173.773 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 68' ' ' PRO . . . . . . . . . . . . . 48.2 Cg_exo -56.18 -58.14 1.17 Allowed 'Trans proline' 0 N--CA 1.453 -0.876 0 C-N-CA 122.607 2.205 . . . . 0.0 109.131 169.465 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . -79.41 50.55 3.79 Favored Glycine 0 C--N 1.339 0.707 0 N-CA-C 110.956 -0.857 . . . . 0.0 110.956 169.916 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 70' ' ' TRP . . . . . 0.4 ' HE1' ' HB2' ' A' ' 72' ' ' ALA . 1.8 t90 -61.78 115.37 3.94 Favored 'General case' 0 N--CA 1.446 -0.628 0 N-CA-C 105.66 -1.978 . . . . 0.0 105.66 168.653 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 20.0 m -123.01 54.85 1.22 Allowed 'General case' 0 CA--C 1.54 0.578 0 C-N-CA 123.453 0.701 . . . . 0.0 111.677 -170.351 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 72' ' ' ALA . . . . . 0.4 ' HB2' ' HE1' ' A' ' 70' ' ' TRP . . . -39.96 -42.62 1.39 Allowed 'General case' 0 N--CA 1.48 1.029 0 C-N-CA 124.34 1.056 . . . . 0.0 113.183 -178.568 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 73' ' ' ARG . . . . . 0.609 ' H ' ' CD ' ' A' ' 73' ' ' ARG . 0.0 OUTLIER -58.34 -28.71 65.33 Favored 'General case' 0 N--CA 1.436 -1.125 0 CA-C-N 113.948 -1.478 . . . . 0.0 110.718 -169.921 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 74' ' ' ASP . . . . . . . . . . . . . 9.3 t70 -62.79 -43.2 99.43 Favored 'General case' 0 CA--C 1.53 0.209 0 O-C-N 122.108 -0.37 . . . . 0.0 111.009 170.951 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 75' ' ' ASN . . . . . . . . . . . . . 7.0 m120 -82.12 -36.19 27.77 Favored 'General case' 0 C--N 1.332 -0.188 0 C-N-CA 124.532 1.133 . . . . 0.0 111.042 -169.772 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 76' ' ' TYR . . . . . . . . . . . . . 83.6 t80 -51.34 131.58 28.59 Favored 'General case' 0 N--CA 1.451 -0.401 0 C-N-CA 122.555 0.342 . . . . 0.0 110.622 -178.692 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 83.03 -16.59 27.05 Favored Glycine 0 CA--C 1.533 1.194 0 CA-C-O 118.3 -1.278 . . . . 0.0 114.09 -178.627 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 46.8 mmtm -78.17 -12.08 59.97 Favored 'General case' 0 CA--C 1.533 0.293 0 CA-C-N 120.285 2.042 . . . . 0.0 114.978 -169.591 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 42.1 mtmt -67.72 142.41 56.31 Favored 'General case' 0 CA--C 1.534 0.358 0 N-CA-C 106.707 -1.59 . . . . 0.0 106.707 168.85 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 67.8 mttm -79.19 60.03 2.93 Favored 'General case' 0 CA--C 1.535 0.37 0 CA-C-O 121.554 0.692 . . . . 0.0 109.944 -178.585 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 85.8 tttt -61.93 103.55 0.37 Allowed 'General case' 0 N--CA 1.45 -0.44 0 C-N-CA 125.473 1.509 . . . . 0.0 111.204 -169.626 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 82' ' ' ARG . . . . . . . . . . . . . 54.6 mtt85 -58.66 -33.77 70.47 Favored 'General case' 0 CA--C 1.535 0.372 0 O-C-N 121.728 -0.607 . . . . 0.0 111.879 179.589 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . 94.9 mttt -55.49 -28.22 53.24 Favored 'General case' 0 CA--C 1.54 0.577 0 O-C-N 121.975 -0.453 . . . . 0.0 111.999 173.329 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 84' ' ' ARG . . . . . . . . . . . . . 47.5 ttp180 -87.13 -58.72 2.48 Favored 'General case' 0 CA--C 1.531 0.247 0 N-CA-C 108.238 -1.023 . . . . 0.0 108.238 170.033 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 78.0 mt-10 -76.03 59.27 1.28 Allowed 'General case' 0 CA--C 1.534 0.346 0 C-N-CA 125.609 1.564 . . . . 0.0 110.768 -175.194 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 35.1 mtmm . . . . . 0 N--CA 1.454 -0.258 0 C-N-CA 123.445 0.698 . . . . 0.0 109.602 -179.116 . . . . . . . . 0 0 . 1 . 010 nuclear build full ' B' B ' 1' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.531 2.443 1 O4'-C1'-N19 111.731 4.914 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 2' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.533 2.786 0 P-O3'-C3' 123.495 3.162 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 010 nuclear build full ' B' B ' 3' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.415 -2.815 0 C4'-C3'-C2' 100.15 -3.05 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 010 nuclear build full ' B' B ' 4' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.415 -2.78 0 P-O3'-C3' 123.139 2.866 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 010 nuclear build full ' B' B ' 5' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.41 -3.235 0 C4'-C3'-C2' 99.897 -3.303 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 010 nuclear build full ' B' B ' 6' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.414 -2.868 0 O4'-C1'-N19 109.276 1.845 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 010 nuclear build full ' B' B ' 7' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.417 -2.652 0 C4'-C3'-C2' 100.112 -3.088 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 010 nuclear build full ' B' B ' 8' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.407 -3.547 0 O4'-C4'-C3' 108.731 3.131 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 010 nuclear build full ' B' B ' 9' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.53 2.338 0 O4'-C1'-N19 110.325 3.156 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 010 nuclear build full ' B' B ' 10' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.535 2.998 0 P-O3'-C3' 123.263 2.969 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 010 nuclear build full ' B' B ' 11' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.42 -2.35 2 O4'-C1'-N19 113.194 6.742 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 12' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.413 -2.996 1 O4'-C4'-C3' 110.395 4.795 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 13' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.412 -3.097 0 O4'-C1'-N19 110.837 3.796 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 010 nuclear build full ' B' B ' 14' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.416 -2.739 0 O4'-C1'-N19 110.226 3.032 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 010 nuclear build full ' B' B ' 15' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.41 -3.233 0 O4'-C1'-N19 109.851 2.564 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 010 nuclear build full ' C' C ' 1' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.415 -2.791 1 O4'-C1'-N19 112.166 5.458 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 010 nuclear build full ' C' C ' 2' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.532 2.587 0 O4'-C1'-N19 110.171 2.964 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 010 nuclear build full ' C' C ' 3' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.414 -2.902 2 O4'-C1'-N19 114.583 8.479 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 010 nuclear build full ' C' C ' 4' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.533 2.719 0 O4'-C1'-N19 109.87 2.588 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 010 nuclear build full ' C' C ' 5' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.412 -3.072 0 O4'-C1'-C2' 103.222 -2.616 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 010 nuclear build full ' C' C ' 6' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.415 -2.857 0 O4'-C1'-C2' 102.271 -3.481 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 010 nuclear build full ' C' C ' 7' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.412 -3.121 0 O4'-C4'-C3' 108.932 3.332 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 010 nuclear build full ' C' C ' 8' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.408 -3.433 2 C4'-C3'-C2' 98.975 -4.225 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 010 nuclear build full ' C' C ' 9' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.411 -3.204 0 P-O3'-C3' 122.171 2.059 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 010 nuclear build full ' C' C ' 10' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.412 -3.13 0 O4'-C1'-N19 110.354 3.193 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 010 nuclear build full ' C' C ' 11' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.417 -2.627 0 O4'-C1'-N19 110.193 2.992 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 010 nuclear build full ' C' C ' 12' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.535 3.053 0 O4'-C1'-N19 110.235 3.044 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 010 nuclear build full ' C' C ' 13' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.414 -2.939 1 O4'-C1'-N19 111.139 4.174 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 010 nuclear build full ' C' C ' 14' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.414 -2.931 0 O4'-C1'-N19 110.205 3.006 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 010 nuclear build full ' C' C ' 15' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.535 2.955 0 O4'-C1'-N19 110.274 3.092 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 011 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 2.3 mpt? . . . . . 0 N--CA 1.449 -0.517 0 N-CA-C 107.967 -1.123 . . . . 0.0 107.967 . . . . . . . . . 0 0 . 1 . 011 nuclear build full ' A' A ' 2' ' ' HIS . . . . . . . . . . . . . 4.1 m-70 -79.04 89.62 4.79 Favored 'General case' 0 N--CA 1.456 -0.164 0 N-CA-C 106.75 -1.574 . . . . 0.0 106.75 169.192 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . 10.2 mt -78.66 118.15 25.41 Favored 'Isoleucine or valine' 0 N--CA 1.446 -0.653 0 N-CA-C 107.974 -1.121 . . . . 0.0 107.974 -174.585 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -62.22 124.92 22.17 Favored 'General case' 0 N--CA 1.446 -0.649 0 N-CA-C 108.605 -0.887 . . . . 0.0 108.605 170.468 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 4.7 mptp? -61.24 157.98 40.03 Favored Pre-proline 0 CA--C 1.535 0.4 0 C-N-CA 123.735 0.814 . . . . 0.0 109.145 178.057 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 61.5 Cg_endo -65.82 91.83 0.25 Allowed 'Trans proline' 0 N--CA 1.45 -1.035 0 C-N-CA 121.826 1.684 . . . . 0.0 109.08 171.009 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 9.6 mp -39.25 118.26 0.78 Allowed 'General case' 0 C--N 1.338 0.108 0 C-N-CA 125.334 1.454 . . . . 0.0 112.128 176.678 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 4.6 p30 -71.51 177.79 3.84 Favored 'General case' 0 N--CA 1.443 -0.794 0 CA-C-O 122.453 1.12 . . . . 0.0 111.691 177.298 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 9' ' ' ALA . . . . . 0.439 ' CB ' ' HB3' ' A' ' 52' ' ' TYR . . . -38.53 -62.91 0.55 Allowed 'General case' 0 N--CA 1.445 -0.681 0 C-N-CA 126.784 2.034 . . . . 0.0 113.567 -179.624 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 10' ' ' PHE . . . . . . . . . . . . . 5.6 m-85 -70.85 -27.07 63.57 Favored 'General case' 0 N--CA 1.452 -0.345 0 O-C-N 121.599 -0.688 . . . . 0.0 110.952 -170.219 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 11' ' ' MET . . . . . . . . . . . . . 69.7 mmm -66.24 -44.67 83.1 Favored 'General case' 0 N--CA 1.452 -0.343 0 N-CA-C 108.643 -0.873 . . . . 0.0 108.643 177.816 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 64.2 mt -61.96 -45.15 94.93 Favored 'General case' 0 C--N 1.334 -0.083 0 O-C-N 121.794 -0.566 . . . . 0.0 110.126 174.177 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 12.8 t80 -54.23 -44.95 72.17 Favored 'General case' 0 CA--C 1.53 0.201 0 C-N-CA 120.512 -0.475 . . . . 0.0 109.921 178.64 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 14' ' ' MET . . . . . . . . . . . . . 24.5 ttm -54.87 -60.38 3.44 Favored 'General case' 0 N--CA 1.451 -0.39 0 C-N-CA 123.318 0.647 . . . . 0.0 110.288 171.469 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 4.9 mtpm? -48.96 -43.94 40.31 Favored 'General case' 0 CA--C 1.534 0.345 0 CA-C-N 119.183 0.901 . . . . 0.0 111.701 -176.715 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 48.2 mt-10 -68.4 -63.62 1.02 Allowed 'General case' 0 CA--C 1.536 0.409 0 C-N-CA 123.017 0.527 . . . . 0.0 111.811 179.498 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 17' ' ' MET . . . . . . . . . . . . . 8.9 mtp -83.29 -28.44 29.11 Favored 'General case' 0 C--O 1.226 -0.132 0 N-CA-C 114.584 1.327 . . . . 0.0 114.584 -169.072 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 18' ' ' ARG . . . . . 0.402 ' HG2' ' CG2' ' A' ' 33' ' ' ILE . 7.1 tmm_? -57.71 -41.96 82.82 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 118.978 0.808 . . . . 0.0 111.747 -169.944 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -54.71 -47.82 73.24 Favored 'General case' 0 CA--C 1.533 0.296 0 O-C-N 122.054 -0.403 . . . . 0.0 110.557 172.505 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 20' ' ' ASN . . . . . . . . . . . . . 1.7 t30 -58.21 -50.47 73.43 Favored 'General case' 0 C--O 1.222 -0.358 0 N-CA-C 109.505 -0.554 . . . . 0.0 109.505 175.655 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 74.3 t -51.67 -52.81 19.55 Favored 'Isoleucine or valine' 0 C--N 1.334 -0.101 0 CA-C-N 119.04 0.837 . . . . 0.0 110.572 178.975 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 55.2 t -58.77 -36.75 62.32 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.473 0 C-N-CA 122.883 0.473 . . . . 0.0 110.501 -178.882 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -67.32 -47.56 70.16 Favored 'General case' 0 CA--C 1.539 0.546 0 N-CA-C 112.524 0.565 . . . . 0.0 112.524 173.278 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 32.6 mt-10 -68.71 -52.32 32.02 Favored 'General case' 0 CA--C 1.53 0.194 0 C-N-CA 123.396 0.679 . . . . 0.0 111.397 -174.887 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 55.9 p -89.49 177.05 6.66 Favored 'General case' 0 N--CA 1.451 -0.418 0 C-N-CA 124.086 0.954 . . . . 0.0 110.974 -169.594 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 3.7 p -81.4 -12.24 59.02 Favored 'General case' 0 N--CA 1.445 -0.682 0 C-N-CA 123.754 0.822 . . . . 0.0 110.989 169.731 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 4.1 mm? -82.75 153.23 25.38 Favored 'General case' 0 N--CA 1.447 -0.597 0 CA-C-N 119.247 0.93 . . . . 0.0 113.171 -169.857 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 2.0 mptp? -139.79 -32.22 0.64 Allowed 'General case' 0 CA--C 1.532 0.262 0 CA-C-N 113.67 -1.604 . . . . 0.0 110.711 168.086 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 2.8 mp0 -52.67 112.14 0.78 Allowed 'General case' 0 N--CA 1.451 -0.413 0 C-N-CA 125.259 1.424 . . . . 0.0 107.946 -173.687 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 9.4 t -56.81 -34.54 67.79 Favored 'General case' 0 N--CA 1.445 -0.72 0 N-CA-C 113.498 0.925 . . . . 0.0 113.498 -168.075 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -65.39 -39.63 92.48 Favored 'General case' 0 CA--C 1.534 0.331 0 CA-C-N 120.143 1.338 . . . . 0.0 112.551 177.446 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -69.06 -48.16 63.47 Favored 'General case' 0 C--N 1.335 -0.047 0 O-C-N 121.399 -0.813 . . . . 0.0 108.91 176.221 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 33' ' ' ILE . . . . . 0.402 ' CG2' ' HG2' ' A' ' 18' ' ' ARG . 8.1 mm -56.65 -41.17 73.43 Favored 'Isoleucine or valine' 0 CA--C 1.542 0.654 0 C-N-CA 124.091 0.956 . . . . 0.0 111.236 178.881 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 3.2 m-80 -56.02 -48.03 76.71 Favored 'General case' 0 N--CA 1.463 0.199 0 O-C-N 120.825 -1.172 . . . . 0.0 111.137 172.22 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 36.8 mt-30 -62.87 -36.6 83.82 Favored 'General case' 0 CA--C 1.533 0.311 0 C-N-CA 120.235 -0.586 . . . . 0.0 110.743 176.133 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 42.0 mt -56.29 -50.36 71.93 Favored 'Isoleucine or valine' 0 CA--C 1.537 0.449 0 CA-C-N 118.714 0.688 . . . . 0.0 110.542 170.641 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 4.1 mm? -53.07 -47.03 68.81 Favored 'General case' 0 CA--C 1.537 0.464 0 CA-C-N 120.068 1.304 . . . . 0.0 110.105 172.715 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -49.54 -51.07 28.77 Favored Glycine 0 CA--C 1.532 1.137 0 C-N-CA 123.938 0.78 . . . . 0.0 112.055 176.148 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 1.6 tmt_? -56.43 -62.77 1.49 Allowed 'General case' 0 N--CA 1.449 -0.481 0 O-C-N 121.836 -0.802 . . . . 0.0 109.168 173.34 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 57.3 mtt180 -56.85 -24.28 50.22 Favored 'General case' 0 N--CA 1.456 -0.141 0 C-N-CA 123.766 0.827 . . . . 0.0 112.283 -171.737 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 41' ' ' TRP . . . . . . . . . . . . . 64.1 t-105 -49.49 -40.45 37.41 Favored 'General case' 0 N--CA 1.454 -0.264 0 CA-C-N 118.845 0.748 . . . . 0.0 111.174 172.865 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 42' ' ' HIS . . . . . . . . . . . . . 71.0 m80 -60.7 -19.63 59.1 Favored 'General case' 0 N--CA 1.453 -0.284 0 C-N-CA 123.702 0.801 . . . . 0.0 112.587 -176.974 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -79.25 -18.41 52.85 Favored 'General case' 0 CA--C 1.534 0.362 0 CA-C-N 118.072 0.396 . . . . 0.0 111.5 177.182 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 31.0 mt -70.54 124.82 25.15 Favored 'General case' 0 N--CA 1.453 -0.294 0 CA-C-N 118.662 0.664 . . . . 0.0 110.362 -179.628 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 78.6 p -56.96 160.86 3.29 Favored 'General case' 0 CA--C 1.531 0.237 0 N-CA-C 109.53 -0.544 . . . . 0.0 109.53 169.139 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 61.9 ttp85 -45.68 -44.87 13.82 Favored 'General case' 0 CA--C 1.536 0.425 0 C-N-CA 123.147 0.579 . . . . 0.0 110.773 173.883 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 58.4 mp0 -65.46 -50.82 63.94 Favored 'General case' 0 N--CA 1.45 -0.442 0 C-N-CA 123.766 0.827 . . . . 0.0 111.126 179.989 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 33.0 mt-10 -55.97 -43.17 77.31 Favored 'General case' 0 CA--C 1.529 0.149 0 C-N-CA 120.889 -0.324 . . . . 0.0 110.801 176.715 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 75.1 mt-30 -56.77 -59.79 4.5 Favored 'General case' 0 N--CA 1.454 -0.225 0 N-CA-C 108.917 -0.771 . . . . 0.0 108.917 174.17 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -47.65 -42.93 25.65 Favored 'General case' 0 CA--C 1.531 0.227 0 C-N-CA 123.754 0.821 . . . . 0.0 112.042 -178.149 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 9.8 pttt -45.77 -43.06 12.78 Favored 'General case' 0 CA--C 1.533 0.316 0 C-N-CA 123.03 0.532 . . . . 0.0 111.241 177.158 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 52' ' ' TYR . . . . . 0.439 ' HB3' ' CB ' ' A' ' 9' ' ' ALA . 40.9 m-85 -62.31 -35.02 77.76 Favored 'General case' 0 N--CA 1.454 -0.272 0 N-CA-C 112.801 0.667 . . . . 0.0 112.801 -178.348 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 53' ' ' TYR . . . . . . . . . . . . . 30.6 m-85 -70.74 -36.95 73.4 Favored 'General case' 0 N--CA 1.451 -0.399 0 N-CA-C 107.77 -1.196 . . . . 0.0 107.77 -176.002 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 33.5 mm-40 -62.44 -59.08 5.48 Favored 'General case' 0 CA--C 1.533 0.314 0 N-CA-C 109.903 -0.406 . . . . 0.0 109.903 169.71 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 6.4 mp -45.16 -50.14 11.57 Favored 'General case' 0 C--O 1.226 -0.182 0 C-N-CA 124.095 0.958 . . . . 0.0 113.251 177.017 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -50.31 -44.85 54.27 Favored 'General case' 0 CA--C 1.536 0.429 0 CA-C-O 121.24 0.543 . . . . 0.0 110.017 176.752 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 45.6 mtt85 -71.79 -36.22 70.25 Favored 'General case' 0 CA--C 1.532 0.253 0 C-N-CA 122.787 0.435 . . . . 0.0 111.412 178.668 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 31.9 mmtp -58.57 -47.66 83.5 Favored 'General case' 0 CA--C 1.533 0.316 0 CA-C-N 119.658 1.117 . . . . 0.0 110.245 172.548 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 33.6 mm-40 -56.25 -47.81 77.78 Favored 'General case' 0 CA--C 1.53 0.176 0 C-N-CA 123.107 0.563 . . . . 0.0 109.961 173.743 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 60' ' ' ARG . . . . . . . . . . . . . 44.8 ttt-85 -52.36 -54.11 35.99 Favored 'General case' 0 CA--C 1.538 0.481 0 C-N-CA 123.031 0.532 . . . . 0.0 111.242 175.825 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 61' ' ' GLN . . . . . . . . . . . . . 32.9 mt-30 -58.18 -50.75 72.43 Favored 'General case' 0 CA--C 1.529 0.167 0 C-N-CA 124.09 0.956 . . . . 0.0 110.135 -179.589 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 46.7 tp -50.27 -50.15 51.09 Favored 'General case' 0 CA--C 1.528 0.128 0 N-CA-C 109.316 -0.624 . . . . 0.0 109.316 174.568 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 63' ' ' HIS . . . . . . . . . . . . . 4.2 t-80 -52.91 -39.47 62.78 Favored 'General case' 0 N--CA 1.453 -0.323 0 C-N-CA 124.543 1.137 . . . . 0.0 111.988 -178.838 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 64' ' ' MET . . . . . . . . . . . . . 74.5 mmm -58.05 -35.73 71.75 Favored 'General case' 0 CA--C 1.531 0.241 0 CA-C-N 118.091 0.405 . . . . 0.0 111.064 176.09 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 65' ' ' GLN . . . . . . . . . . . . . 66.1 mt-30 -79.06 -45.17 20.67 Favored 'General case' 0 N--CA 1.455 -0.194 0 N-CA-C 108.993 -0.743 . . . . 0.0 108.993 -179.183 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 25.5 mt -52.7 -46.23 67.22 Favored 'General case' 0 CA--C 1.531 0.243 0 C-N-CA 122.62 0.368 . . . . 0.0 110.179 176.255 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 67' ' ' TYR . . . . . . . . . . . . . 95.0 m-85 -136.64 96.86 11.76 Favored Pre-proline 0 N--CA 1.452 -0.366 0 C-N-CA 123.84 0.856 . . . . 0.0 110.326 -176.157 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 68' ' ' PRO . . . . . . . . . . . . . 50.6 Cg_exo -54.46 -56.55 2.39 Favored 'Trans proline' 0 N--CA 1.453 -0.874 0 C-N-CA 122.621 2.214 . . . . 0.0 108.376 169.134 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . -80.0 54.79 4.5 Favored Glycine 0 C--N 1.337 0.593 0 N-CA-C 110.315 -1.114 . . . . 0.0 110.315 169.571 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 70' ' ' TRP . . . . . . . . . . . . . 2.0 t90 -61.36 110.97 1.58 Allowed 'General case' 0 N--CA 1.449 -0.497 0 N-CA-C 105.87 -1.9 . . . . 0.0 105.87 168.893 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 24.1 m -119.92 56.19 0.96 Allowed 'General case' 0 CA--C 1.54 0.563 0 C-N-CA 123.909 0.884 . . . . 0.0 111.553 -170.775 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -39.61 -45.19 1.59 Allowed 'General case' 0 N--CA 1.479 1.023 0 C-N-CA 124.455 1.102 . . . . 0.0 112.951 -176.02 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 73' ' ' ARG . . . . . 0.652 ' H ' ' CD ' ' A' ' 73' ' ' ARG . 0.0 OUTLIER -53.89 -39.3 65.62 Favored 'General case' 0 N--CA 1.437 -1.105 0 C-N-CA 126.582 1.953 . . . . 0.0 109.79 -169.788 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 74' ' ' ASP . . . . . . . . . . . . . 27.3 t70 -53.13 -31.05 40.28 Favored 'General case' 0 CA--C 1.531 0.235 0 C-N-CA 123.599 0.76 . . . . 0.0 112.017 176.655 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 75' ' ' ASN . . . . . . . . . . . . . 9.4 m120 -100.74 3.11 41.97 Favored 'General case' 0 N--CA 1.455 -0.194 0 C-N-CA 124.207 1.003 . . . . 0.0 111.951 -174.608 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 76' ' ' TYR . . . . . . . . . . . . . 66.7 t80 -78.55 67.15 4.25 Favored 'General case' 0 CA--C 1.533 0.318 0 CA-C-N 119.35 0.977 . . . . 0.0 109.907 -177.297 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 146.67 71.48 0.01 OUTLIER Glycine 0 CA--C 1.526 0.772 0 N-CA-C 109.251 -1.54 . . . . 0.0 109.251 -174.796 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 44.6 mmtm -137.11 -56.41 0.71 Allowed 'General case' 0 CA--C 1.53 0.183 0 C-N-CA 125.099 1.359 . . . . 0.0 109.933 179.58 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 72.1 mttt -75.84 137.97 40.81 Favored 'General case' 0 N--CA 1.454 -0.24 0 N-CA-C 108.233 -1.025 . . . . 0.0 108.233 173.142 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 60.5 mttp -76.17 150.33 37.16 Favored 'General case' 0 CA--C 1.532 0.271 0 N-CA-C 107.043 -1.466 . . . . 0.0 107.043 168.898 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 46.8 tttp -128.88 157.62 41.05 Favored 'General case' 0 CA--C 1.532 0.251 0 C-N-CA 124.328 1.051 . . . . 0.0 109.812 -169.923 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 82' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -127.44 -175.97 3.61 Favored 'General case' 0 CA--C 1.538 0.507 0 C-N-CA 128.525 2.73 . . . . 0.0 108.664 -177.116 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . 22.2 mttp 63.97 -65.07 0.13 Allowed 'General case' 0 CA--C 1.534 0.333 0 C-N-CA 127.068 2.147 . . . . 0.0 116.658 168.783 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 84' ' ' ARG . . . . . . . . . . . . . 7.6 mpt_? 56.23 -91.4 0.03 OUTLIER 'General case' 0 CA--C 1.533 0.301 0 C-N-CA 124.71 1.204 . . . . 0.0 109.925 -169.46 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 70.8 mt-10 -110.36 4.08 20.37 Favored 'General case' 0 C--N 1.338 0.098 0 C-N-CA 124.599 1.16 . . . . 0.0 113.216 -178.024 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 53.6 mtmt . . . . . 0 C--N 1.329 -0.293 0 N-CA-C 109.047 -0.723 . . . . 0.0 109.047 175.938 . . . . . . . . 0 0 . 1 . 011 nuclear build full ' B' B ' 1' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.53 2.426 2 O4'-C1'-N19 112.007 5.259 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 2' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.536 3.098 0 P-O3'-C3' 123.73 3.358 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 011 nuclear build full ' B' B ' 3' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.417 -2.612 0 P-O3'-C3' 122.851 2.626 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 011 nuclear build full ' B' B ' 4' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.412 -3.081 0 O4'-C4'-C3' 108.469 2.869 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 011 nuclear build full ' B' B ' 5' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.406 -3.66 0 P-O3'-C3' 122.878 2.649 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 011 nuclear build full ' B' B ' 6' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.405 -3.716 0 C4'-C3'-C2' 100.119 -3.081 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 011 nuclear build full ' B' B ' 7' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.418 -2.569 0 C4'-C3'-C2' 99.965 -3.235 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 011 nuclear build full ' B' B ' 8' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.409 -3.38 0 O4'-C4'-C3' 108.475 2.875 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 011 nuclear build full ' B' B ' 9' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.418 -2.504 0 P-O3'-C3' 123.208 2.923 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 011 nuclear build full ' B' B ' 10' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.536 3.108 0 P-O3'-C3' 122.702 2.502 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 011 nuclear build full ' B' B ' 11' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.42 -2.386 2 O4'-C1'-N19 112.928 6.41 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 12' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.408 -3.473 1 O4'-C4'-C3' 110.232 4.632 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 13' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.411 -3.179 1 O4'-C1'-N19 111.255 4.318 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 14' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.533 2.728 0 O4'-C1'-N19 110.595 3.494 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 011 nuclear build full ' B' B ' 15' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.412 -3.075 0 O4'-C1'-N19 110.128 2.91 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 011 nuclear build full ' C' C ' 1' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.416 -2.77 1 O4'-C1'-N19 112.379 5.724 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 011 nuclear build full ' C' C ' 2' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.418 -2.565 0 O4'-C1'-N19 110.522 3.403 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 011 nuclear build full ' C' C ' 3' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.415 -2.785 1 O4'-C1'-N19 114.518 8.398 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 011 nuclear build full ' C' C ' 4' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.535 2.945 0 O4'-C1'-N19 110.779 3.724 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 011 nuclear build full ' C' C ' 5' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.415 -2.793 0 P-O3'-C3' 122.932 2.693 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 011 nuclear build full ' C' C ' 6' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.416 -2.719 1 O4'-C1'-N19 111.298 4.372 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 011 nuclear build full ' C' C ' 7' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.416 -2.691 0 O4'-C4'-C3' 109.418 3.818 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 011 nuclear build full ' C' C ' 8' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.408 -3.461 1 C4'-C3'-C2' 98.881 -4.319 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 011 nuclear build full ' C' C ' 9' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.411 -3.157 0 C5'-C4'-C3' 110.994 -2.471 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 011 nuclear build full ' C' C ' 10' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.416 -2.699 1 O4'-C1'-N19 112.005 5.256 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 011 nuclear build full ' C' C ' 11' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.532 2.686 1 O4'-C1'-N19 111.714 4.893 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 011 nuclear build full ' C' C ' 12' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.529 2.292 0 O3'-P-O5' 98.472 -2.909 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 011 nuclear build full ' C' C ' 13' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.533 2.767 0 O4'-C4'-C3' 108.144 2.544 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 011 nuclear build full ' C' C ' 14' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.411 -3.21 0 O4'-C1'-N19 110.471 3.339 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 011 nuclear build full ' C' C ' 15' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.416 -2.743 1 O4'-C1'-N19 111.191 4.239 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 14.4 tpt . . . . . 0 N--CA 1.453 -0.315 0 N-CA-C 108.882 -0.784 . . . . 0.0 108.882 . . . . . . . . . 0 0 . 1 . 012 nuclear build full ' A' A ' 2' ' ' HIS . . . . . . . . . . . . . 91.4 m-70 -76.26 94.56 3.58 Favored 'General case' 0 N--CA 1.453 -0.323 0 CA-C-N 115.853 -0.612 . . . . 0.0 109.855 -178.876 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . 94.9 mt -78.95 88.69 1.24 Allowed 'Isoleucine or valine' 0 N--CA 1.455 -0.18 0 N-CA-C 104.661 -2.348 . . . . 0.0 104.661 169.242 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 4' ' ' LYS . . . . . 0.442 ' HB3' ' NZ ' ' A' ' 5' ' ' LYS . 4.7 mmmm -39.4 126.2 1.76 Allowed 'General case' 0 N--CA 1.447 -0.584 0 C-N-CA 128.31 2.644 . . . . 0.0 111.125 -174.008 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 5' ' ' LYS . . . . . 0.74 ' HE2' " C1'" ' C' ' 8' ' ' ' DA' . 0.0 OUTLIER -57.85 175.89 0.26 Allowed Pre-proline 0 CA--C 1.546 0.803 0 C-N-CA 126.265 1.826 . . . . 0.0 109.073 169.789 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 31.9 Cg_exo -69.7 111.39 2.78 Favored 'Trans proline' 0 CA--C 1.541 0.852 0 C-N-CA 121.553 1.502 . . . . 0.0 110.702 169.555 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 6.6 mt -56.66 117.49 3.95 Favored 'General case' 0 C--N 1.343 0.313 0 CA-C-N 119.174 0.897 . . . . 0.0 109.402 169.567 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 6.3 p30 -80.62 178.4 8.37 Favored 'General case' 0 N--CA 1.449 -0.515 0 CA-C-O 122.074 0.94 . . . . 0.0 111.958 179.073 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 9' ' ' ALA . . . . . 0.431 ' CB ' ' HB3' ' A' ' 52' ' ' TYR . . . -38.88 -64.1 0.47 Allowed 'General case' 0 N--CA 1.448 -0.571 0 C-N-CA 126.846 2.058 . . . . 0.0 114.063 178.601 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 10' ' ' PHE . . . . . . . . . . . . . 5.5 m-85 -69.74 -26.37 64.29 Favored 'General case' 0 N--CA 1.455 -0.224 0 O-C-N 121.499 -0.751 . . . . 0.0 111.11 -169.635 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 11' ' ' MET . . . . . . . . . . . . . 43.5 mmm -62.88 -46.67 86.79 Favored 'General case' 0 N--CA 1.453 -0.286 0 N-CA-C 108.317 -0.994 . . . . 0.0 108.317 176.346 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 47.4 mt -63.93 -43.77 94.89 Favored 'General case' 0 C--N 1.332 -0.185 0 O-C-N 121.98 -0.45 . . . . 0.0 109.849 176.798 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 14.8 t80 -54.46 -45.07 73.04 Favored 'General case' 0 C--N 1.34 0.179 0 N-CA-C 109.603 -0.517 . . . . 0.0 109.603 178.734 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 14' ' ' MET . . . . . . . . . . . . . 20.1 ttm -56.17 -61.55 2.31 Favored 'General case' 0 N--CA 1.446 -0.644 0 CA-C-O 118.605 -0.712 . . . . 0.0 109.981 172.653 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 5.3 mtpm? -47.34 -41.29 19.17 Favored 'General case' 0 CA--C 1.535 0.4 0 CA-C-N 119.402 1.001 . . . . 0.0 111.96 -177.179 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 46.9 mt-10 -71.88 -69.6 0.38 Allowed 'General case' 0 CA--C 1.538 0.497 0 C-N-CA 123.106 0.562 . . . . 0.0 112.34 177.832 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 17' ' ' MET . . . . . . . . . . . . . 7.6 mtp -79.9 -26.97 40.03 Favored 'General case' 0 CA--C 1.523 -0.069 0 N-CA-C 114.581 1.326 . . . . 0.0 114.581 -169.047 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 6.8 tmm_? -58.91 -41.87 88.29 Favored 'General case' 0 C--N 1.327 -0.396 0 O-C-N 121.304 -0.873 . . . . 0.0 111.186 -171.774 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -51.79 -47.89 64.04 Favored 'General case' 0 CA--C 1.533 0.288 0 O-C-N 122.137 -0.352 . . . . 0.0 110.452 172.598 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 20' ' ' ASN . . . . . . . . . . . . . 4.4 t30 -59.63 -51.07 71.37 Favored 'General case' 0 C--O 1.224 -0.271 0 CA-C-O 119.111 -0.471 . . . . 0.0 109.874 176.023 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 73.2 t -50.64 -51.12 20.53 Favored 'Isoleucine or valine' 0 N--CA 1.461 0.114 0 CA-C-N 118.968 0.803 . . . . 0.0 110.859 178.152 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 46.9 t -61.89 -36.87 76.4 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.398 0 C-N-CA 122.82 0.448 . . . . 0.0 109.932 -177.703 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -65.26 -46.66 79.62 Favored 'General case' 0 CA--C 1.539 0.525 0 O-C-N 121.871 -0.518 . . . . 0.0 112.185 173.347 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 27.6 mt-10 -69.18 -52.76 24.73 Favored 'General case' 0 CA--C 1.531 0.226 0 CA-C-O 121.112 0.482 . . . . 0.0 111.484 -176.219 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 54.5 p -85.35 175.32 8.96 Favored 'General case' 0 N--CA 1.453 -0.32 0 C-N-CA 124.139 0.975 . . . . 0.0 110.774 -169.921 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 4.9 p -83.91 -10.84 57.68 Favored 'General case' 0 N--CA 1.45 -0.444 0 C-N-CA 123.892 0.877 . . . . 0.0 111.442 170.589 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -89.55 156.67 18.46 Favored 'General case' 0 N--CA 1.45 -0.463 0 CA-C-O 122.162 0.982 . . . . 0.0 113.007 -169.71 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 8.1 mptt -136.34 -44.62 0.62 Allowed 'General case' 0 N--CA 1.449 -0.483 0 CA-C-N 113.774 -1.557 . . . . 0.0 109.392 174.593 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 2.5 mp0 -39.25 104.9 0.04 OUTLIER 'General case' 0 C--O 1.237 0.404 0 C-N-CA 127.239 2.216 . . . . 0.0 109.658 -175.067 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 8.8 t -55.1 -37.86 67.38 Favored 'General case' 0 N--CA 1.448 -0.534 0 N-CA-C 112.962 0.727 . . . . 0.0 112.962 -168.044 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -63.43 -33.97 76.72 Favored 'General case' 0 CA--C 1.535 0.371 0 CA-C-N 119.503 1.047 . . . . 0.0 112.603 179.31 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -76.04 -49.46 17.49 Favored 'General case' 0 CA--C 1.531 0.233 0 CA-C-O 121.856 0.836 . . . . 0.0 109.416 175.478 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 33' ' ' ILE . . . . . . . . . . . . . 6.2 mm -54.34 -35.8 31.72 Favored 'Isoleucine or valine' 0 CA--C 1.547 0.839 0 C-N-CA 124.91 1.284 . . . . 0.0 111.574 177.828 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 3.4 m-80 -57.88 -44.95 87.02 Favored 'General case' 0 N--CA 1.462 0.156 0 C-N-CA 124.426 1.09 . . . . 0.0 112.089 169.818 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 42.5 mt-30 -68.03 -37.8 81.8 Favored 'General case' 0 N--CA 1.453 -0.315 0 O-C-N 121.808 -0.558 . . . . 0.0 109.881 178.298 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 21.7 mt -52.71 -53.36 21.07 Favored 'Isoleucine or valine' 0 C--N 1.341 0.237 0 N-CA-C 109.382 -0.599 . . . . 0.0 109.382 169.556 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 10.5 mt -57.28 -41.92 80.67 Favored 'General case' 0 CA--C 1.534 0.343 0 CA-C-N 118.983 0.81 . . . . 0.0 111.516 177.01 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -48.57 -51.25 22.92 Favored Glycine 0 CA--C 1.53 1.03 0 C-N-CA 123.955 0.788 . . . . 0.0 111.386 172.933 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 1.1 tmt_? -57.96 -62.81 1.54 Allowed 'General case' 0 N--CA 1.449 -0.5 0 O-C-N 121.901 -0.764 . . . . 0.0 109.68 171.993 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 81.5 mtt180 -57.63 -22.54 46.08 Favored 'General case' 0 C--O 1.231 0.122 0 C-N-CA 123.67 0.788 . . . . 0.0 112.78 -169.705 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 41' ' ' TRP . . . . . . . . . . . . . 65.6 t-105 -47.67 -42.11 23.99 Favored 'General case' 0 N--CA 1.452 -0.325 0 CA-C-N 118.866 0.757 . . . . 0.0 111.272 170.733 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 42' ' ' HIS . . . . . . . . . . . . . 74.2 m80 -60.98 -18.6 58.27 Favored 'General case' 0 N--CA 1.453 -0.289 0 C-N-CA 123.777 0.831 . . . . 0.0 112.734 -176.076 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -79.07 -18.47 53.35 Favored 'General case' 0 CA--C 1.534 0.335 0 CA-C-N 118.04 0.382 . . . . 0.0 111.578 176.718 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 36.1 mt -69.34 125.26 26.14 Favored 'General case' 0 N--CA 1.453 -0.28 0 CA-C-N 118.658 0.663 . . . . 0.0 110.472 -179.803 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 82.4 p -57.6 160.59 4.19 Favored 'General case' 0 CA--C 1.532 0.253 0 N-CA-C 109.455 -0.572 . . . . 0.0 109.455 169.349 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 41.8 ttm180 -48.87 -41.79 34.51 Favored 'General case' 0 CA--C 1.534 0.364 0 O-C-N 122.023 -0.423 . . . . 0.0 110.801 175.878 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 2.5 mp0 -63.42 -52.32 62.06 Favored 'General case' 0 N--CA 1.453 -0.308 0 C-N-CA 123.986 0.914 . . . . 0.0 111.033 178.387 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 34.2 mt-10 -56.59 -43.41 80.07 Favored 'General case' 0 CA--C 1.529 0.142 0 CA-C-O 119.641 -0.219 . . . . 0.0 110.668 177.361 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 73.7 mt-30 -56.72 -58.82 6.46 Favored 'General case' 0 N--CA 1.454 -0.256 0 N-CA-C 109.058 -0.719 . . . . 0.0 109.058 174.369 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -46.94 -43.62 19.23 Favored 'General case' 0 C--O 1.235 0.335 0 C-N-CA 124.064 0.946 . . . . 0.0 112.063 -179.119 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 8.1 pttt -46.48 -42.17 15.1 Favored 'General case' 0 CA--C 1.532 0.285 0 C-N-CA 123.254 0.622 . . . . 0.0 111.327 176.514 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 52' ' ' TYR . . . . . 0.431 ' HB3' ' CB ' ' A' ' 9' ' ' ALA . 44.0 m-85 -65.34 -34.78 79.13 Favored 'General case' 0 CA--C 1.515 -0.398 0 O-C-N 121.471 -0.768 . . . . 0.0 112.931 -179.63 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 53' ' ' TYR . . . . . . . . . . . . . 48.0 m-85 -72.98 -40.17 65.51 Favored 'General case' 0 N--CA 1.45 -0.427 0 N-CA-C 107.469 -1.308 . . . . 0.0 107.469 -177.928 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 80.3 mm-40 -54.12 -62.39 1.68 Allowed 'General case' 0 CA--C 1.536 0.411 0 N-CA-C 109.327 -0.62 . . . . 0.0 109.327 169.591 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 5.3 mp -47.94 -51.57 22.99 Favored 'General case' 0 C--O 1.226 -0.181 0 C-N-CA 124.49 1.116 . . . . 0.0 113.456 178.048 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -53.24 -46.11 69.02 Favored 'General case' 0 C--N 1.329 -0.298 0 N-CA-C 109.497 -0.557 . . . . 0.0 109.497 177.89 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 87.0 mtm180 -66.41 -33.35 75.52 Favored 'General case' 0 CA--C 1.536 0.426 0 O-C-N 121.863 -0.523 . . . . 0.0 112.113 175.961 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 70.3 mmtt -60.25 -49.2 78.55 Favored 'General case' 0 CA--C 1.53 0.208 0 O-C-N 120.705 -1.247 . . . . 0.0 109.984 171.554 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 23.0 mm-40 -55.23 -49.31 72.32 Favored 'General case' 0 CA--C 1.535 0.377 0 C-N-CA 123.087 0.555 . . . . 0.0 110.269 175.377 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 60' ' ' ARG . . . . . . . . . . . . . 65.3 ttt-85 -51.92 -52.84 47.14 Favored 'General case' 0 CA--C 1.533 0.323 0 C-N-CA 123.925 0.89 . . . . 0.0 110.952 176.988 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 61' ' ' GLN . . . . . . . . . . . . . 32.1 mt-30 -62.0 -49.76 74.79 Favored 'General case' 0 CA--C 1.53 0.208 0 O-C-N 121.975 -0.453 . . . . 0.0 110.779 178.855 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 42.1 tp -48.41 -47.42 37.8 Favored 'General case' 0 CA--C 1.526 0.057 0 C-N-CA 123.85 0.86 . . . . 0.0 109.766 177.372 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 63' ' ' HIS . . . . . . . . . . . . . 1.9 t-80 -48.35 -40.91 27.01 Favored 'General case' 0 CA--C 1.532 0.258 0 C-N-CA 123.452 0.701 . . . . 0.0 112.269 177.588 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 64' ' ' MET . . . . . . . . . . . . . 70.8 mtp -65.86 -29.9 70.42 Favored 'General case' 0 CA--C 1.531 0.247 0 CA-C-N 118.087 0.403 . . . . 0.0 110.89 179.923 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 65' ' ' GLN . . . . . . . . . . . . . 67.6 mt-30 -78.96 -46.08 19.06 Favored 'General case' 0 N--CA 1.452 -0.328 0 N-CA-C 108.464 -0.939 . . . . 0.0 108.464 179.385 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 52.5 mt -60.58 -49.2 78.49 Favored 'General case' 0 CA--C 1.533 0.291 0 C-N-CA 122.721 0.408 . . . . 0.0 111.092 179.1 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 67' ' ' TYR . . . . . . . . . . . . . 84.9 m-85 -134.86 78.49 54.45 Favored Pre-proline 0 CA--C 1.532 0.284 0 C-N-CA 124.109 0.963 . . . . 0.0 110.588 -174.484 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 68' ' ' PRO . . . . . . . . . . . . . 33.2 Cg_endo -59.48 -22.45 66.35 Favored 'Trans proline' 0 N--CA 1.458 -0.569 0 C-N-CA 123.086 2.524 . . . . 0.0 113.501 -175.36 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . -125.3 31.08 4.34 Favored Glycine 0 C--N 1.338 0.667 0 CA-C-O 119.299 -0.723 . . . . 0.0 112.894 173.995 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 70' ' ' TRP . . . . . . . . . . . . . 13.3 t90 -69.36 120.67 15.53 Favored 'General case' 0 N--CA 1.457 -0.124 0 N-CA-C 106.228 -1.768 . . . . 0.0 106.228 168.268 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 69.4 m -56.34 145.89 25.7 Favored 'General case' 0 CA--C 1.5 -0.966 0 N-CA-C 112.352 0.501 . . . . 0.0 112.352 173.828 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 72' ' ' ALA . . . . . 0.834 ' HB1' " H5'" ' B' ' 12' ' ' ' DG' . . . -56.88 133.05 54.23 Favored 'General case' 0 N--CA 1.433 -1.314 0 N-CA-C 100.341 -3.948 . . . . 0.0 100.341 165.258 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 73' ' ' ARG . . . . . 0.646 ' H ' ' CD ' ' A' ' 73' ' ' ARG 0.276 0.0 OUTLIER 2.44 81.67 0.0 OUTLIER 'General case' 0 C--N 1.313 -0.981 0 C-N-CA 130.654 3.582 . . . . 0.0 118.634 -159.841 . . . . . . . . 4 4 . 1 . 012 nuclear build full ' A' A ' 74' ' ' ASP . . . . . . . . . . . . . 19.5 p-10 -57.17 -40.52 77.49 Favored 'General case' 0 CA--C 1.537 0.453 0 CA-C-N 113.425 -1.716 . . . . 0.0 108.054 166.236 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 75' ' ' ASN . . . . . . . . . . . . . 29.2 m120 -79.57 12.21 2.65 Favored 'General case' 0 CA--C 1.533 0.32 0 C-N-CA 125.04 1.336 . . . . 0.0 112.192 -177.074 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 76' ' ' TYR . . . . . . . . . . . . . 16.4 t80 -59.21 124.64 20.65 Favored 'General case' 0 N--CA 1.455 -0.18 0 CA-C-N 120.184 1.356 . . . . 0.0 111.068 -178.955 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 57.99 27.36 59.57 Favored Glycine 0 CA--C 1.53 1.015 0 CA-C-O 118.464 -1.187 . . . . 0.0 113.162 -175.504 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 11.4 mptt -85.87 -26.41 25.66 Favored 'General case' 0 C--N 1.341 0.236 0 CA-C-N 119.459 1.63 . . . . 0.0 110.517 169.99 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 40.7 mttm -62.58 132.38 52.19 Favored 'General case' 0 CA--C 1.534 0.35 0 N-CA-C 106.939 -1.504 . . . . 0.0 106.939 168.941 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -83.9 56.26 3.61 Favored 'General case' 0 N--CA 1.463 0.207 0 O-C-N 121.274 -0.891 . . . . 0.0 109.291 -172.898 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 19.7 ptmt -62.23 120.71 11.47 Favored 'General case' 0 N--CA 1.449 -0.522 0 CA-C-N 115.753 -0.658 . . . . 0.0 111.791 -169.339 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 82' ' ' ARG . . . . . . . . . . . . . 64.2 mtt85 -44.88 -46.68 10.99 Favored 'General case' 0 C--N 1.343 0.283 0 C-N-CA 124.03 0.932 . . . . 0.0 111.543 -179.011 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . 66.4 mttm -47.13 -47.91 23.3 Favored 'General case' 0 CA--C 1.535 0.397 0 C-N-CA 124.131 0.973 . . . . 0.0 112.096 176.651 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 84' ' ' ARG . . . . . . . . . . . . . 1.5 tmm_? -83.96 67.95 9.82 Favored 'General case' 0 C--O 1.226 -0.16 0 N-CA-C 107.283 -1.377 . . . . 0.0 107.283 175.857 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 47.1 mt-10 25.32 58.61 0.05 Allowed 'General case' 0 CA--C 1.536 0.44 0 C-N-CA 127.604 2.362 . . . . 0.0 112.543 -175.328 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 39.1 mtpt . . . . . 0 C--O 1.234 0.283 0 C-N-CA 123.721 0.808 . . . . 0.0 110.988 -169.971 . . . . . . . . 0 0 . 1 . 012 nuclear build full ' B' B ' 1' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.529 2.192 1 O4'-C1'-N19 111.613 4.767 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 2' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.417 -2.633 0 O4'-C1'-N19 110.666 3.582 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 012 nuclear build full ' B' B ' 3' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.533 2.717 0 P-O3'-C3' 123.879 3.482 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 012 nuclear build full ' B' B ' 4' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.416 -2.711 0 O4'-C4'-C3' 108.523 2.923 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 012 nuclear build full ' B' B ' 5' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.409 -3.367 0 P-O3'-C3' 122.372 2.226 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 012 nuclear build full ' B' B ' 6' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.41 -3.256 0 P-O3'-C3' 121.818 1.765 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 012 nuclear build full ' B' B ' 7' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.416 -2.744 0 C4'-C3'-C2' 99.996 -3.204 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 012 nuclear build full ' B' B ' 8' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.407 -3.556 0 C3'-C2'-C1' 106.704 2.86 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 012 nuclear build full ' B' B ' 9' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.416 -2.751 0 P-O3'-C3' 123.517 3.181 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 012 nuclear build full ' B' B ' 10' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.417 -2.646 0 P-O3'-C3' 122.722 2.518 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 012 nuclear build full ' B' B ' 11' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.422 -2.19 2 O4'-C1'-N19 115.175 9.219 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 12' ' ' ' DG' . . . . . 0.834 " H5'" ' HB1' ' A' ' 72' ' ' ALA . . . . . . . . 0 O4'--C4' 1.413 -3.024 2 P-O3'-C3' 126.441 5.617 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 13' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.41 -3.23 1 O4'-C1'-N19 112.23 5.537 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 14' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.533 2.746 0 O4'-C1'-N19 110.39 3.238 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 012 nuclear build full ' B' B ' 15' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.411 -3.188 0 O4'-C1'-N19 110.044 2.805 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 012 nuclear build full ' C' C ' 1' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.415 -2.82 1 O4'-C1'-N19 112.262 5.578 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 012 nuclear build full ' C' C ' 2' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.533 2.772 0 O4'-C1'-N19 110.381 3.226 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 012 nuclear build full ' C' C ' 3' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.415 -2.807 2 O4'-C1'-N19 114.448 8.31 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 012 nuclear build full ' C' C ' 4' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.533 2.741 0 O4'-C4'-C3' 108.083 2.483 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 012 nuclear build full ' C' C ' 5' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.412 -3.059 1 O4'-C1'-N19 112.425 5.781 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 012 nuclear build full ' C' C ' 6' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.532 2.62 0 O4'-C1'-C2' 101.989 -3.737 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 012 nuclear build full ' C' C ' 7' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.411 -3.17 0 O4'-C1'-N19 110.165 2.956 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 012 nuclear build full ' C' C ' 8' ' ' ' DA' . . . . . 0.74 " C1'" ' HE2' ' A' ' 5' ' ' LYS . . . . . . . . 0 C5'--C4' 1.537 3.219 0 O4'-C1'-N19 109.957 2.696 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 012 nuclear build full ' C' C ' 9' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.411 -3.152 0 C5'-C4'-C3' 109.299 -3.601 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 012 nuclear build full ' C' C ' 10' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.412 -3.048 1 O4'-C1'-N19 111.521 4.652 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 012 nuclear build full ' C' C ' 11' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.415 -2.84 0 O4'-C1'-C2' 103.393 -2.461 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 012 nuclear build full ' C' C ' 12' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.533 2.769 0 O3'-P-O5' 98.81 -2.731 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 012 nuclear build full ' C' C ' 13' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.414 -2.874 1 O4'-C1'-N19 111.908 5.135 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 012 nuclear build full ' C' C ' 14' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.412 -3.125 0 O4'-C1'-C2' 102.976 -2.84 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 012 nuclear build full ' C' C ' 15' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.416 -2.728 0 O4'-C1'-N19 110.37 3.212 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 6.1 p30 . . . . . 0 N--CA 1.449 -0.5 0 CA-C-O 121.824 0.821 . . . . 0.0 111.159 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A ' 9' ' ' ALA . . . . . 0.4 ' HB1' ' HB3' ' A' ' 52' ' ' TYR . . . -38.95 -63.39 0.53 Allowed 'General case' 0 N--CA 1.45 -0.431 0 C-N-CA 126.789 2.035 . . . . 0.0 113.683 -178.89 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 10' ' ' PHE . . . . . . . . . . . . . 5.3 m-85 -68.3 -23.54 64.75 Favored 'General case' 0 N--CA 1.455 -0.223 0 O-C-N 121.487 -0.758 . . . . 0.0 111.333 -169.507 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 11' ' ' MET . . . . . . . . . . . . . 58.2 mmm -69.29 -38.57 78.38 Favored 'General case' 0 N--CA 1.451 -0.377 0 N-CA-C 109.16 -0.682 . . . . 0.0 109.16 179.209 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 70.1 mt -68.31 -44.08 76.22 Favored 'General case' 0 CA--C 1.519 -0.239 0 O-C-N 121.762 -0.586 . . . . 0.0 110.031 172.515 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 12.1 t80 -55.46 -44.57 76.53 Favored 'General case' 0 C--N 1.339 0.125 0 C-N-CA 119.858 -0.737 . . . . 0.0 109.815 179.346 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 14' ' ' MET . . . . . . . . . . . . . 32.5 ttm -54.2 -62.74 1.46 Allowed 'General case' 0 N--CA 1.449 -0.489 0 C-N-CA 123.494 0.718 . . . . 0.0 110.144 169.909 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 15.9 mmtt -45.1 -43.5 9.72 Favored 'General case' 0 CA--C 1.537 0.451 0 CA-C-N 118.728 0.695 . . . . 0.0 112.173 -177.511 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 47.1 mt-10 -71.44 -66.09 0.67 Allowed 'General case' 0 CA--C 1.538 0.494 0 C-N-CA 123.343 0.657 . . . . 0.0 112.061 178.182 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 17' ' ' MET . . . . . . . . . . . . . 6.5 mtp -79.83 -32.18 40.59 Favored 'General case' 0 C--O 1.226 -0.149 0 N-CA-C 114.1 1.148 . . . . 0.0 114.1 -169.013 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 7.1 tmm_? -54.95 -43.21 73.2 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 118.829 0.74 . . . . 0.0 111.139 -172.916 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -52.8 -49.43 65.64 Favored 'General case' 0 CA--C 1.534 0.329 0 O-C-N 122.054 -0.404 . . . . 0.0 110.704 173.078 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 20' ' ' ASN . . . . . . . . . . . . . 2.7 t30 -59.94 -48.51 81.39 Favored 'General case' 0 C--O 1.224 -0.272 0 C-N-CA 122.608 0.363 . . . . 0.0 110.08 176.902 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 70.5 t -52.71 -51.45 35.53 Favored 'Isoleucine or valine' 0 C--N 1.333 -0.112 0 CA-C-N 118.776 0.716 . . . . 0.0 110.328 177.493 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 44.8 t -63.05 -38.0 80.87 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.374 0 C-N-CA 122.892 0.477 . . . . 0.0 110.184 -177.098 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -65.29 -45.39 84.58 Favored 'General case' 0 CA--C 1.536 0.424 0 O-C-N 121.958 -0.464 . . . . 0.0 111.911 175.062 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 25.6 mm-40 -73.5 -53.44 10.6 Favored 'General case' 0 CA--C 1.531 0.221 0 C-N-CA 124.205 1.002 . . . . 0.0 111.307 -173.724 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 51.4 p -82.87 177.52 8.61 Favored 'General case' 0 N--CA 1.452 -0.353 0 C-N-CA 123.804 0.842 . . . . 0.0 110.651 -172.498 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 5.0 p -84.09 -10.46 57.8 Favored 'General case' 0 N--CA 1.448 -0.54 0 C-N-CA 123.912 0.885 . . . . 0.0 111.538 170.417 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -90.23 155.94 18.65 Favored 'General case' 0 N--CA 1.451 -0.409 0 CA-C-O 122.196 0.998 . . . . 0.0 112.989 -169.722 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 7.9 mptt -137.08 -42.39 0.57 Allowed 'General case' 0 N--CA 1.45 -0.461 0 CA-C-N 113.683 -1.599 . . . . 0.0 109.14 173.966 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 2.8 mp0 -39.26 106.29 0.05 Allowed 'General case' 0 C--O 1.235 0.335 0 C-N-CA 127.331 2.252 . . . . 0.0 110.125 -177.253 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 10.8 t -53.58 -47.6 69.98 Favored 'General case' 0 C--O 1.22 -0.47 0 CA-C-N 116.116 -0.493 . . . . 0.0 112.006 -168.625 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -56.8 -38.48 72.61 Favored 'General case' 0 CA--C 1.535 0.369 0 CA-C-N 119.985 1.266 . . . . 0.0 113.161 -178.3 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -71.07 -50.94 28.44 Favored 'General case' 0 CA--C 1.531 0.219 0 CA-C-O 121.798 0.809 . . . . 0.0 109.498 175.642 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 33' ' ' ILE . . . . . . . . . . . . . 6.7 mm -53.33 -34.94 23.37 Favored 'Isoleucine or valine' 0 CA--C 1.546 0.792 0 C-N-CA 124.814 1.246 . . . . 0.0 112.059 178.847 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 82.3 m-20 -74.98 -36.11 62.03 Favored 'General case' 0 C--N 1.329 -0.286 0 O-C-N 120.568 -1.332 . . . . 0.0 109.8 -179.075 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 39.1 mt-30 -64.5 -37.88 89.07 Favored 'General case' 0 CA--C 1.533 0.292 0 O-C-N 121.708 -0.62 . . . . 0.0 109.351 169.278 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 22.0 mt -55.01 -49.88 67.69 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.327 0 CA-C-O 117.979 -1.01 . . . . 0.0 109.651 169.522 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 4.5 mm? -53.07 -45.16 68.01 Favored 'General case' 0 N--CA 1.469 0.49 0 CA-C-N 120.682 1.583 . . . . 0.0 110.566 174.5 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -47.62 -54.94 10.05 Favored Glycine 0 CA--C 1.533 1.172 0 C-N-CA 123.699 0.666 . . . . 0.0 112.036 172.361 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -55.58 -52.82 62.46 Favored 'General case' 0 N--CA 1.45 -0.435 0 O-C-N 121.441 -1.035 . . . . 0.0 110.257 174.261 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 4.8 mmp_? -59.29 -28.56 66.87 Favored 'General case' 0 N--CA 1.454 -0.272 0 C-N-CA 123.513 0.725 . . . . 0.0 110.208 -171.821 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 41' ' ' TRP . . . . . . . . . . . . . 56.7 t-105 -52.51 -38.52 59.76 Favored 'General case' 0 N--CA 1.452 -0.335 0 O-C-N 121.897 -0.502 . . . . 0.0 111.224 175.312 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 42' ' ' HIS . . . . . . . . . . . . . 51.7 m80 -61.3 -19.69 62.06 Favored 'General case' 0 N--CA 1.453 -0.292 0 C-N-CA 123.649 0.78 . . . . 0.0 112.076 -177.189 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -79.44 -19.16 50.6 Favored 'General case' 0 CA--C 1.534 0.364 0 C-N-CA 122.701 0.4 . . . . 0.0 112.043 176.486 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 26.8 mt -73.96 122.35 22.45 Favored 'General case' 0 N--CA 1.454 -0.255 0 CA-C-N 118.796 0.725 . . . . 0.0 111.077 -174.787 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 79.4 p -59.1 158.93 7.97 Favored 'General case' 0 CA--C 1.532 0.265 0 N-CA-C 109.047 -0.723 . . . . 0.0 109.047 168.99 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 41.6 ptt180 -50.75 -36.85 38.72 Favored 'General case' 0 CA--C 1.536 0.411 0 O-C-N 121.787 -0.57 . . . . 0.0 111.797 179.141 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 59.1 mp0 -67.0 -49.94 63.78 Favored 'General case' 0 N--CA 1.453 -0.322 0 C-N-CA 123.292 0.637 . . . . 0.0 110.756 177.559 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 36.8 mt-10 -56.2 -43.2 78.24 Favored 'General case' 0 C--O 1.227 -0.124 0 O-C-N 122.256 -0.277 . . . . 0.0 110.458 175.694 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 73.3 mt-30 -56.65 -59.2 5.36 Favored 'General case' 0 N--CA 1.455 -0.197 0 N-CA-C 109.094 -0.706 . . . . 0.0 109.094 174.334 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -46.93 -43.61 19.17 Favored 'General case' 0 C--O 1.235 0.301 0 C-N-CA 123.734 0.813 . . . . 0.0 112.239 -179.439 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -47.59 -40.14 18.51 Favored 'General case' 0 CA--C 1.533 0.3 0 C-N-CA 122.948 0.499 . . . . 0.0 111.524 177.29 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 52' ' ' TYR . . . . . 0.4 ' HB3' ' HB1' ' A' ' 9' ' ' ALA . 38.6 m-85 -64.73 -35.4 80.95 Favored 'General case' 0 CA--C 1.514 -0.413 0 O-C-N 121.502 -0.748 . . . . 0.0 112.904 179.505 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 53' ' ' TYR . . . . . . . . . . . . . 41.2 m-85 -72.0 -42.54 66.3 Favored 'General case' 0 N--CA 1.45 -0.44 0 N-CA-C 107.031 -1.47 . . . . 0.0 107.031 -176.515 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 43.1 mt-10 -53.84 -64.16 0.92 Allowed 'General case' 0 CA--C 1.536 0.41 0 C-N-CA 122.714 0.405 . . . . 0.0 110.253 170.045 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 4.6 mp -46.02 -52.52 11.71 Favored 'General case' 0 N--CA 1.462 0.15 0 C-N-CA 124.562 1.145 . . . . 0.0 113.092 176.585 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.369 0 N-CA-C 108.588 -0.893 . . . . 0.0 108.588 176.785 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 5.0 p30 . . . . . 0 N--CA 1.442 -0.852 0 CA-C-O 122.702 1.239 . . . . 0.0 111.316 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' A' A ' 9' ' ' ALA . . . . . 0.482 ' CB ' ' HB3' ' A' ' 52' ' ' TYR . . . -38.84 -56.89 1.3 Allowed 'General case' 0 N--CA 1.442 -0.86 0 C-N-CA 126.824 2.05 . . . . 0.0 113.425 -178.671 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 10' ' ' PHE . . . . . . . . . . . . . 5.0 m-85 -69.59 -26.43 64.45 Favored 'General case' 0 N--CA 1.451 -0.377 0 O-C-N 121.563 -0.711 . . . . 0.0 111.223 -171.253 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 11' ' ' MET . . . . . . . . . . . . . 56.8 mmm -69.84 -42.61 73.37 Favored 'General case' 0 N--CA 1.453 -0.28 0 N-CA-C 108.645 -0.872 . . . . 0.0 108.645 -179.98 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 45.4 mt -63.79 -44.54 93.04 Favored 'General case' 0 N--CA 1.456 -0.166 0 O-C-N 121.842 -0.536 . . . . 0.0 109.587 173.75 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 23.3 t80 -54.37 -46.44 73.03 Favored 'General case' 0 C--N 1.341 0.208 0 N-CA-C 109.549 -0.537 . . . . 0.0 109.549 178.903 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 14' ' ' MET . . . . . . . . . . . . . 31.6 ttm -53.85 -59.96 3.95 Favored 'General case' 0 N--CA 1.448 -0.542 0 C-N-CA 123.253 0.621 . . . . 0.0 110.3 171.33 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 31.6 mttt -48.36 -44.17 34.27 Favored 'General case' 0 CA--C 1.534 0.356 0 CA-C-N 119.205 0.911 . . . . 0.0 112.136 -177.549 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 45.4 mt-10 -69.35 -62.17 1.49 Allowed 'General case' 0 CA--C 1.536 0.432 0 C-N-CA 122.844 0.458 . . . . 0.0 111.883 179.578 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 17' ' ' MET . . . . . . . . . . . . . 6.6 mtp -84.7 -30.27 24.93 Favored 'General case' 0 C--O 1.226 -0.144 0 N-CA-C 114.628 1.344 . . . . 0.0 114.628 -169.08 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 7.1 tmm_? -56.92 -43.91 81.92 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-N 119.112 0.869 . . . . 0.0 111.466 -171.708 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -52.7 -47.25 67.37 Favored 'General case' 0 CA--C 1.534 0.339 0 O-C-N 121.74 -0.6 . . . . 0.0 110.603 172.848 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 20' ' ' ASN . . . . . . . . . . . . . 5.8 t30 -61.9 -45.98 91.39 Favored 'General case' 0 N--CA 1.453 -0.301 0 CA-C-O 119.545 -0.264 . . . . 0.0 110.476 177.503 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 72.5 t -53.79 -51.39 44.69 Favored 'Isoleucine or valine' 0 C--O 1.227 -0.088 0 CA-C-N 118.827 0.74 . . . . 0.0 110.481 175.677 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 51.0 t -60.73 -36.73 72.99 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.38 0 N-CA-C 109.701 -0.481 . . . . 0.0 109.701 -178.33 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -65.02 -46.68 80.33 Favored 'General case' 0 CA--C 1.539 0.532 0 O-C-N 121.879 -0.513 . . . . 0.0 112.267 172.93 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 60.7 mt-10 -66.14 -57.71 7.04 Favored 'General case' 0 CA--C 1.531 0.229 0 CA-C-O 121.632 0.729 . . . . 0.0 111.622 -177.742 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 53.2 p -83.97 173.14 11.42 Favored 'General case' 0 N--CA 1.448 -0.545 0 C-N-CA 125.109 1.364 . . . . 0.0 111.466 -168.695 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 9.6 p -81.73 -9.8 59.54 Favored 'General case' 0 N--CA 1.448 -0.531 0 C-N-CA 123.472 0.709 . . . . 0.0 111.13 169.777 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -87.21 159.43 18.84 Favored 'General case' 0 N--CA 1.45 -0.457 0 CA-C-O 122.535 1.16 . . . . 0.0 112.731 -170.041 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 8.4 mptt -142.07 -45.97 0.34 Allowed 'General case' 0 N--CA 1.447 -0.58 0 CA-C-N 113.176 -1.829 . . . . 0.0 108.783 176.066 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 46.7 mt-10 -39.65 103.97 0.03 OUTLIER 'General case' 0 C--N 1.344 0.353 0 C-N-CA 125.994 1.718 . . . . 0.0 109.68 -174.086 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 21.1 t -50.27 -47.14 55.46 Favored 'General case' 0 C--O 1.219 -0.514 0 O-C-N 123.977 0.798 . . . . 0.0 111.163 -168.852 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -52.02 -45.35 64.57 Favored 'General case' 0 CA--C 1.534 0.351 0 CA-C-N 119.022 0.828 . . . . 0.0 112.957 179.401 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -71.91 -48.69 43.75 Favored 'General case' 0 CA--C 1.533 0.326 0 CA-C-O 122.052 0.93 . . . . 0.0 109.615 179.288 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 33' ' ' ILE . . . . . . . . . . . . . 5.8 mm -51.2 -36.79 17.06 Favored 'Isoleucine or valine' 0 CA--C 1.543 0.697 0 C-N-CA 124.569 1.148 . . . . 0.0 111.542 176.841 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 82.1 m-20 -72.03 -30.95 65.7 Favored 'General case' 0 C--N 1.329 -0.294 0 O-C-N 120.589 -1.319 . . . . 0.0 110.362 -179.619 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 84.8 mt-30 -67.77 -39.71 84.1 Favored 'General case' 0 N--CA 1.454 -0.236 0 O-C-N 121.688 -0.633 . . . . 0.0 109.306 169.474 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 23.0 mt -54.36 -49.25 65.7 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.353 0 CA-C-O 118.606 -0.711 . . . . 0.0 110.095 170.117 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 4.3 mm? -54.31 -48.04 71.76 Favored 'General case' 0 CA--C 1.536 0.408 0 CA-C-N 119.965 1.257 . . . . 0.0 109.896 173.751 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -47.78 -50.28 20.52 Favored Glycine 0 CA--C 1.53 1.016 0 C-N-CA 123.467 0.556 . . . . 0.0 111.871 175.538 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -60.9 -56.87 16.01 Favored 'General case' 0 N--CA 1.446 -0.668 0 O-C-N 121.553 -0.969 . . . . 0.0 110.544 175.221 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 69.2 mtt180 -59.72 -30.13 68.6 Favored 'General case' 0 C--O 1.23 0.065 0 C-N-CA 122.767 0.427 . . . . 0.0 111.348 -169.418 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 41' ' ' TRP . . . . . . . . . . . . . 57.9 t-105 -44.18 -41.83 6.03 Favored 'General case' 0 N--CA 1.453 -0.313 0 C-N-CA 122.868 0.467 . . . . 0.0 112.04 171.004 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 42' ' ' HIS . . . . . . . . . . . . . 66.6 m80 -60.08 -20.35 57.7 Favored 'General case' 0 CA--C 1.534 0.328 0 C-N-CA 123.693 0.797 . . . . 0.0 112.618 -176.121 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -79.54 -18.78 51.09 Favored 'General case' 0 CA--C 1.535 0.379 0 C-N-CA 122.872 0.469 . . . . 0.0 112.068 176.373 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 37.7 mt -67.77 124.57 23.68 Favored 'General case' 0 CA--C 1.531 0.23 0 CA-C-N 118.958 0.799 . . . . 0.0 110.439 -178.206 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 80.3 p -57.51 159.97 4.54 Favored 'General case' 0 CA--C 1.531 0.227 0 N-CA-C 109.894 -0.41 . . . . 0.0 109.894 169.489 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 59.8 ttp180 -43.77 -46.4 7.65 Favored 'General case' 0 CA--C 1.533 0.326 0 C-N-CA 123.721 0.808 . . . . 0.0 110.992 173.02 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 49.5 mp0 -66.14 -48.93 69.21 Favored 'General case' 0 N--CA 1.452 -0.343 0 C-N-CA 123.59 0.756 . . . . 0.0 111.073 -178.681 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 35.2 mt-10 -56.02 -44.81 79.08 Favored 'General case' 0 C--O 1.226 -0.162 0 C-N-CA 120.858 -0.337 . . . . 0.0 110.526 175.764 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 71.6 mt-30 -56.98 -56.13 25.77 Favored 'General case' 0 N--CA 1.454 -0.235 0 N-CA-C 109.519 -0.549 . . . . 0.0 109.519 175.202 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -48.18 -44.16 32.36 Favored 'General case' 0 C--O 1.235 0.305 0 C-N-CA 123.471 0.708 . . . . 0.0 111.761 179.874 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -45.88 -44.02 14.13 Favored 'General case' 0 CA--C 1.53 0.206 0 C-N-CA 123.089 0.556 . . . . 0.0 111.07 176.306 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 52' ' ' TYR . . . . . 0.482 ' HB3' ' CB ' ' A' ' 9' ' ' ALA . 44.5 m-85 -63.74 -35.0 79.13 Favored 'General case' 0 N--CA 1.451 -0.412 0 N-CA-C 112.712 0.634 . . . . 0.0 112.712 -178.68 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 53' ' ' TYR . . . . . . . . . . . . . 83.8 m-85 -73.07 -39.88 65.51 Favored 'General case' 0 N--CA 1.451 -0.419 0 N-CA-C 108.465 -0.939 . . . . 0.0 108.465 -177.643 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 16.4 mm-40 -55.9 -59.04 5.45 Favored 'General case' 0 CA--C 1.534 0.359 0 N-CA-C 109.865 -0.42 . . . . 0.0 109.865 169.814 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 5.1 mp -46.31 -53.73 10.26 Favored 'General case' 0 C--O 1.226 -0.171 0 C-N-CA 123.772 0.829 . . . . 0.0 112.786 174.908 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.532 0.285 0 N-CA-C 109.303 -0.629 . . . . 0.0 109.303 179.363 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 3.3 p30 . . . . . 0 N--CA 1.45 -0.434 0 CA-C-O 121.319 0.581 . . . . 0.0 110.623 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -39.01 -62.26 0.65 Allowed 'General case' 0 N--CA 1.447 -0.585 0 C-N-CA 126.133 1.773 . . . . 0.0 113.109 -178.549 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 10' ' ' PHE . . . . . . . . . . . . . 5.5 m-85 -72.24 -25.63 61.7 Favored 'General case' 0 N--CA 1.453 -0.316 0 O-C-N 121.507 -0.746 . . . . 0.0 110.979 -171.007 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 11' ' ' MET . . . . . . . . . . . . . 61.5 mmm -66.82 -38.61 86.78 Favored 'General case' 0 CA--C 1.532 0.267 0 N-CA-C 109.135 -0.691 . . . . 0.0 109.135 176.772 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 68.3 mt -68.58 -45.09 72.96 Favored 'General case' 0 CA--C 1.522 -0.109 0 O-C-N 121.721 -0.612 . . . . 0.0 110.22 172.947 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 19.2 t80 -53.67 -46.06 70.5 Favored 'General case' 0 N--CA 1.465 0.288 0 N-CA-C 109.542 -0.54 . . . . 0.0 109.542 179.458 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 14' ' ' MET . . . . . . . . . . . . . 27.2 ttm -54.29 -64.59 0.78 Allowed 'General case' 0 N--CA 1.445 -0.683 0 C-N-CA 124.145 0.978 . . . . 0.0 110.117 170.189 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 18.1 mttt -44.22 -43.1 7.0 Favored 'General case' 0 CA--C 1.536 0.429 0 CA-C-N 119.775 1.171 . . . . 0.0 112.54 -177.587 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 47.7 mt-10 -72.16 -68.05 0.5 Allowed 'General case' 0 CA--C 1.537 0.478 0 C-N-CA 123.29 0.636 . . . . 0.0 112.043 178.481 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 17' ' ' MET . . . . . . . . . . . . . 15.4 mtp -81.49 -25.66 35.83 Favored 'General case' 0 N--CA 1.457 -0.109 0 N-CA-C 114.857 1.428 . . . . 0.0 114.857 -168.816 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 8.0 tmm_? -55.97 -41.81 75.31 Favored 'General case' 0 C--N 1.324 -0.509 0 CA-C-N 119.11 0.868 . . . . 0.0 111.201 -174.693 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -54.26 -47.94 71.73 Favored 'General case' 0 CA--C 1.532 0.264 0 O-C-N 122.019 -0.426 . . . . 0.0 110.662 172.022 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 20' ' ' ASN . . . . . . . . . . . . . 3.9 t30 -58.9 -50.86 72.44 Favored 'General case' 0 N--CA 1.453 -0.302 0 N-CA-C 109.739 -0.467 . . . . 0.0 109.739 176.423 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 78.3 t -50.2 -53.04 12.87 Favored 'Isoleucine or valine' 0 N--CA 1.46 0.037 0 CA-C-N 118.928 0.785 . . . . 0.0 110.472 177.617 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 55.5 t -59.02 -37.24 66.61 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.336 0 C-N-CA 122.718 0.407 . . . . 0.0 110.577 -178.888 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -66.23 -47.82 72.55 Favored 'General case' 0 CA--C 1.538 0.506 0 O-C-N 121.847 -0.533 . . . . 0.0 112.421 173.681 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 23.9 mt-10 -70.14 -52.44 23.54 Favored 'General case' 0 CA--C 1.53 0.186 0 O-C-N 121.805 -0.559 . . . . 0.0 111.45 -174.717 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 54.7 p -87.93 176.74 7.2 Favored 'General case' 0 N--CA 1.453 -0.322 0 C-N-CA 123.898 0.879 . . . . 0.0 111.077 -169.733 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 3.9 p -81.37 -12.91 58.84 Favored 'General case' 0 N--CA 1.447 -0.604 0 C-N-CA 123.797 0.839 . . . . 0.0 111.13 169.77 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 4.1 mm? -81.79 155.82 25.24 Favored 'General case' 0 N--CA 1.447 -0.616 0 CA-C-N 119.16 0.891 . . . . 0.0 113.17 -169.957 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 1.9 mptp? -141.22 -33.98 0.5 Allowed 'General case' 0 N--CA 1.454 -0.239 0 C-N-CA 125.784 1.634 . . . . 0.0 110.805 168.557 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 2.7 mp0 -52.89 110.6 0.54 Allowed 'General case' 0 N--CA 1.45 -0.47 0 C-N-CA 125.163 1.385 . . . . 0.0 108.067 -172.489 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 12.6 t -49.71 -50.67 43.1 Favored 'General case' 0 C--O 1.22 -0.486 0 O-C-N 123.601 0.563 . . . . 0.0 111.984 -168.38 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -55.18 -40.29 70.54 Favored 'General case' 0 CA--C 1.535 0.389 0 O-C-N 120.988 -1.07 . . . . 0.0 113.202 -178.946 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -69.17 -50.04 51.22 Favored 'General case' 0 CA--C 1.53 0.179 0 O-C-N 121.326 -0.859 . . . . 0.0 109.327 176.088 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 33' ' ' ILE . . . . . . . . . . . . . 8.7 mm -53.1 -34.24 21.07 Favored 'Isoleucine or valine' 0 CA--C 1.543 0.704 0 C-N-CA 125.083 1.353 . . . . 0.0 112.094 177.667 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 82.1 m-20 -76.92 -35.63 57.2 Favored 'General case' 0 C--N 1.33 -0.243 0 C-N-CA 124.586 1.154 . . . . 0.0 109.768 -178.167 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 37.9 mt-30 -66.54 -41.0 89.38 Favored 'General case' 0 CA--C 1.535 0.371 0 O-C-N 121.841 -0.537 . . . . 0.0 110.127 169.645 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 15.3 mt -51.0 -55.02 8.35 Favored 'Isoleucine or valine' 0 CA--C 1.531 0.24 0 N-CA-C 109.002 -0.74 . . . . 0.0 109.002 169.885 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 11.8 mt -56.3 -40.99 75.23 Favored 'General case' 0 CA--C 1.533 0.32 0 CA-C-N 118.804 0.729 . . . . 0.0 111.492 177.877 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -49.14 -51.8 24.45 Favored Glycine 0 CA--C 1.531 1.084 0 N-CA-C 111.183 -0.767 . . . . 0.0 111.183 171.374 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -58.75 -55.0 40.78 Favored 'General case' 0 N--CA 1.447 -0.601 0 O-C-N 121.559 -0.965 . . . . 0.0 110.497 173.304 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 31.0 mtp180 -63.74 -22.72 67.05 Favored 'General case' 0 C--N 1.334 -0.077 0 O-C-N 121.606 -0.684 . . . . 0.0 111.413 -169.607 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 41' ' ' TRP . . . . . . . . . . . . . 63.8 t-105 -50.3 -39.18 44.79 Favored 'General case' 0 N--CA 1.452 -0.344 0 O-C-N 121.607 -0.683 . . . . 0.0 111.259 170.271 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 42' ' ' HIS . . . . . . . . . . . . . 61.3 m80 -61.38 -17.63 54.97 Favored 'General case' 0 CA--C 1.532 0.285 0 C-N-CA 123.522 0.729 . . . . 0.0 112.467 -176.379 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -79.02 -18.95 52.68 Favored 'General case' 0 CA--C 1.534 0.365 0 CA-C-N 118.116 0.417 . . . . 0.0 111.78 176.063 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 22.4 mt -70.82 125.36 26.63 Favored 'General case' 0 CA--C 1.53 0.186 0 CA-C-N 118.803 0.729 . . . . 0.0 110.927 -177.445 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 83.7 p -58.34 160.82 4.85 Favored 'General case' 0 CA--C 1.533 0.3 0 N-CA-C 109.478 -0.564 . . . . 0.0 109.478 169.094 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 83.2 mtt85 -49.79 -40.58 42.05 Favored 'General case' 0 CA--C 1.534 0.341 0 O-C-N 122.022 -0.424 . . . . 0.0 111.026 176.45 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 2.4 mp0 -64.19 -52.24 59.87 Favored 'General case' 0 N--CA 1.453 -0.303 0 C-N-CA 123.935 0.894 . . . . 0.0 110.985 178.37 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 34.4 mt-10 -56.15 -43.82 78.65 Favored 'General case' 0 C--O 1.225 -0.206 0 CA-C-O 119.576 -0.249 . . . . 0.0 110.534 177.099 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 74.2 mt-30 -56.68 -59.0 5.67 Favored 'General case' 0 N--CA 1.453 -0.277 0 N-CA-C 109.23 -0.656 . . . . 0.0 109.23 174.316 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -47.18 -43.31 21.1 Favored 'General case' 0 CA--C 1.531 0.248 0 C-N-CA 124.0 0.92 . . . . 0.0 112.16 -178.182 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 12.9 pttt -47.12 -41.35 17.32 Favored 'General case' 0 CA--C 1.534 0.36 0 C-N-CA 122.684 0.394 . . . . 0.0 111.527 177.757 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 52' ' ' TYR . . . . . . . . . . . . . 46.6 m-85 -63.59 -33.9 76.62 Favored 'General case' 0 CA--C 1.517 -0.294 0 N-CA-C 112.768 0.655 . . . . 0.0 112.768 -179.36 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 53' ' ' TYR . . . . . . . . . . . . . 41.5 m-85 -72.53 -38.94 67.9 Favored 'General case' 0 N--CA 1.451 -0.394 0 N-CA-C 107.701 -1.222 . . . . 0.0 107.701 -176.452 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 43.9 mm-40 -58.51 -62.06 2.13 Favored 'General case' 0 CA--C 1.533 0.294 0 N-CA-C 109.681 -0.488 . . . . 0.0 109.681 169.705 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 5.2 mp -46.11 -51.25 14.28 Favored 'General case' 0 C--O 1.226 -0.177 0 C-N-CA 124.112 0.965 . . . . 0.0 113.349 177.801 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.289 0 C-N-CA 122.608 0.363 . . . . 0.0 110.022 177.308 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 6.5 p30 . . . . . 0 N--CA 1.444 -0.773 0 CA-C-O 122.367 1.079 . . . . 0.0 111.825 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' A' A ' 9' ' ' ALA . . . . . 0.405 ' CB ' ' HB3' ' A' ' 52' ' ' TYR . . . -38.89 -64.43 0.45 Allowed 'General case' 0 N--CA 1.446 -0.674 0 C-N-CA 126.859 2.064 . . . . 0.0 113.94 179.601 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 10' ' ' PHE . . . . . . . . . . . . . 5.8 m-85 -70.65 -25.96 63.24 Favored 'General case' 0 N--CA 1.456 -0.174 0 O-C-N 121.354 -0.841 . . . . 0.0 111.781 -169.324 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 11' ' ' MET . . . . . . . . . . . . . 69.3 mmm -63.69 -38.09 89.81 Favored 'General case' 0 CA--C 1.535 0.368 0 N-CA-C 109.082 -0.71 . . . . 0.0 109.082 176.503 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 51.7 mt -72.82 -44.24 61.69 Favored 'General case' 0 CA--C 1.52 -0.191 0 O-C-N 121.914 -0.491 . . . . 0.0 110.023 175.441 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 22.3 t80 -53.78 -47.71 70.49 Favored 'General case' 0 N--CA 1.465 0.286 0 N-CA-C 109.331 -0.618 . . . . 0.0 109.331 179.233 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 14' ' ' MET . . . . . . . . . . . . . 8.5 ttm -52.02 -66.43 0.39 Allowed 'General case' 0 N--CA 1.443 -0.804 0 C-N-CA 124.403 1.081 . . . . 0.0 109.619 169.904 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 16.1 mmtt -43.17 -44.93 5.34 Favored 'General case' 0 CA--C 1.537 0.443 0 CA-C-N 119.937 1.244 . . . . 0.0 112.657 -177.078 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 46.3 mt-10 -70.22 -66.51 0.59 Allowed 'General case' 0 CA--C 1.537 0.451 0 C-N-CA 123.137 0.575 . . . . 0.0 112.085 179.258 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 17' ' ' MET . . . . . . . . . . . . . 12.3 mtp -79.87 -27.55 40.06 Favored 'General case' 0 C--O 1.228 -0.077 0 N-CA-C 114.322 1.23 . . . . 0.0 114.322 -169.064 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 3.0 tmm_? -58.09 -36.05 72.3 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 121.432 -0.792 . . . . 0.0 111.449 -173.16 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -55.0 -49.41 71.58 Favored 'General case' 0 CA--C 1.533 0.324 0 O-C-N 121.733 -0.604 . . . . 0.0 110.582 170.283 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 20' ' ' ASN . . . . . . . . . . . . . 33.7 t30 -61.47 -46.39 90.26 Favored 'General case' 0 C--O 1.223 -0.327 0 N-CA-C 110.029 -0.36 . . . . 0.0 110.029 178.001 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 70.1 t -51.26 -54.24 12.11 Favored 'Isoleucine or valine' 0 CA--C 1.528 0.111 0 CA-C-N 118.493 0.588 . . . . 0.0 110.416 174.565 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 45.5 t -62.69 -36.33 74.74 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.385 0 C-N-CA 122.861 0.465 . . . . 0.0 110.473 -175.226 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -66.18 -47.26 74.53 Favored 'General case' 0 CA--C 1.536 0.409 0 O-C-N 122.016 -0.428 . . . . 0.0 111.822 174.114 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 9.9 mm-40 -70.29 -55.24 9.69 Favored 'General case' 0 CA--C 1.529 0.169 0 C-N-CA 124.578 1.151 . . . . 0.0 111.303 -174.006 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 54.3 p -83.63 171.72 13.0 Favored 'General case' 0 N--CA 1.452 -0.354 0 C-N-CA 123.996 0.918 . . . . 0.0 110.324 -172.913 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 8.6 p -78.8 -15.26 58.62 Favored 'General case' 0 N--CA 1.448 -0.562 0 C-N-CA 123.155 0.582 . . . . 0.0 111.435 170.848 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -84.4 156.97 21.57 Favored 'General case' 0 N--CA 1.449 -0.521 0 CA-C-O 122.025 0.917 . . . . 0.0 112.886 -169.453 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 1.5 mptp? -138.71 -40.23 0.5 Allowed 'General case' 0 N--CA 1.453 -0.319 0 C-N-CA 125.623 1.569 . . . . 0.0 109.846 172.613 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 2.8 mp0 -38.98 101.07 0.02 OUTLIER 'General case' 0 C--O 1.236 0.362 0 C-N-CA 127.222 2.209 . . . . 0.0 109.701 -177.173 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 7.7 t -50.48 -41.85 53.7 Favored 'General case' 0 N--CA 1.451 -0.383 0 N-CA-C 113.473 0.916 . . . . 0.0 113.473 -168.123 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -64.14 -33.88 76.78 Favored 'General case' 0 CA--C 1.535 0.4 0 CA-C-N 119.474 1.034 . . . . 0.0 112.865 -179.668 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -74.29 -48.61 27.38 Favored 'General case' 0 CA--C 1.529 0.157 0 O-C-N 121.292 -0.88 . . . . 0.0 109.155 174.812 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 33' ' ' ILE . . . . . . . . . . . . . 5.6 mm -54.02 -38.2 36.89 Favored 'Isoleucine or valine' 0 CA--C 1.544 0.739 0 C-N-CA 124.421 1.089 . . . . 0.0 111.516 178.441 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 4.6 m-80 -55.67 -43.55 76.46 Favored 'General case' 0 N--CA 1.463 0.191 0 O-C-N 121.121 -0.987 . . . . 0.0 111.939 171.23 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 41.8 mt-30 -69.27 -38.74 78.54 Favored 'General case' 0 N--CA 1.454 -0.235 0 O-C-N 121.741 -0.6 . . . . 0.0 110.127 178.855 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 23.3 mt -52.52 -50.62 39.0 Favored 'Isoleucine or valine' 0 C--N 1.342 0.247 0 N-CA-C 109.344 -0.613 . . . . 0.0 109.344 169.653 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 11.0 mt -60.31 -40.98 92.47 Favored 'General case' 0 CA--C 1.533 0.312 0 O-C-N 121.683 -0.635 . . . . 0.0 110.773 179.304 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -48.76 -52.36 20.87 Favored Glycine 0 CA--C 1.53 0.984 0 N-CA-C 111.114 -0.794 . . . . 0.0 111.114 170.288 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -57.27 -54.95 41.03 Favored 'General case' 0 N--CA 1.448 -0.572 0 O-C-N 121.511 -0.994 . . . . 0.0 110.456 173.217 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 91.7 mtt180 -62.02 -24.31 66.98 Favored 'General case' 0 C--O 1.23 0.074 0 O-C-N 121.763 -0.585 . . . . 0.0 111.329 -169.932 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 41' ' ' TRP . . . . . . . . . . . . . 64.7 t-105 -49.48 -39.64 34.44 Favored 'General case' 0 N--CA 1.453 -0.315 0 CA-C-N 118.712 0.687 . . . . 0.0 111.472 171.385 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 42' ' ' HIS . . . . . . . . . . . . . 65.9 m80 -61.5 -17.98 57.07 Favored 'General case' 0 N--CA 1.453 -0.296 0 C-N-CA 123.753 0.821 . . . . 0.0 112.563 -176.096 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -79.31 -18.61 52.28 Favored 'General case' 0 CA--C 1.535 0.377 0 CA-C-N 118.032 0.378 . . . . 0.0 111.909 176.1 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 21.5 mt -71.55 126.27 29.22 Favored 'General case' 0 CA--C 1.53 0.195 0 CA-C-N 118.805 0.73 . . . . 0.0 111.219 -175.943 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 81.6 p -58.29 161.22 4.47 Favored 'General case' 0 CA--C 1.531 0.244 0 N-CA-C 109.742 -0.466 . . . . 0.0 109.742 169.19 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 3.1 tmt_? -46.48 -47.29 19.29 Favored 'General case' 0 CA--C 1.534 0.339 0 C-N-CA 123.251 0.621 . . . . 0.0 109.977 174.438 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 2.7 mp0 -60.78 -52.69 64.02 Favored 'General case' 0 N--CA 1.453 -0.284 0 C-N-CA 123.87 0.868 . . . . 0.0 111.413 179.359 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 33.6 mt-10 -55.94 -43.44 77.42 Favored 'General case' 0 C--O 1.226 -0.16 0 CA-C-O 119.718 -0.182 . . . . 0.0 110.841 177.83 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 74.2 mt-30 -57.42 -58.85 6.44 Favored 'General case' 0 N--CA 1.454 -0.229 0 N-CA-C 109.13 -0.692 . . . . 0.0 109.13 174.857 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -48.49 -42.13 31.91 Favored 'General case' 0 C--O 1.234 0.284 0 C-N-CA 123.824 0.85 . . . . 0.0 112.203 -178.229 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 10.5 pttt -47.24 -40.36 16.28 Favored 'General case' 0 CA--C 1.533 0.289 0 C-N-CA 122.83 0.452 . . . . 0.0 111.406 177.026 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 52' ' ' TYR . . . . . 0.405 ' HB3' ' CB ' ' A' ' 9' ' ' ALA . 38.6 m-85 -64.32 -33.61 76.25 Favored 'General case' 0 CA--C 1.517 -0.322 0 O-C-N 121.396 -0.815 . . . . 0.0 113.152 -179.477 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 53' ' ' TYR . . . . . . . . . . . . . 31.4 m-85 -73.35 -40.16 64.64 Favored 'General case' 0 N--CA 1.451 -0.405 0 N-CA-C 107.151 -1.425 . . . . 0.0 107.151 -176.465 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 44.3 mt-10 -56.47 -60.46 3.49 Favored 'General case' 0 CA--C 1.535 0.393 0 CA-C-N 115.898 -0.592 . . . . 0.0 109.749 169.696 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 5.8 mp -46.95 -51.04 17.92 Favored 'General case' 0 C--O 1.226 -0.152 0 C-N-CA 124.531 1.132 . . . . 0.0 113.571 175.716 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.233 0.218 0 N-CA-C 109.017 -0.735 . . . . 0.0 109.017 177.567 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 4.2 p30 . . . . . 0 N--CA 1.444 -0.728 0 CA-C-O 122.415 1.102 . . . . 0.0 110.88 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' A' A ' 9' ' ' ALA . . . . . 0.441 ' CB ' ' HB3' ' A' ' 52' ' ' TYR . . . -38.75 -58.22 1.1 Allowed 'General case' 0 N--CA 1.444 -0.728 0 C-N-CA 126.295 1.838 . . . . 0.0 113.307 -178.729 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 10' ' ' PHE . . . . . . . . . . . . . 5.2 m-85 -71.33 -27.16 63.18 Favored 'General case' 0 N--CA 1.451 -0.394 0 O-C-N 121.53 -0.731 . . . . 0.0 111.055 -170.839 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 11' ' ' MET . . . . . . . . . . . . . 64.6 mmm -68.19 -43.52 77.93 Favored 'General case' 0 N--CA 1.453 -0.309 0 N-CA-C 108.387 -0.968 . . . . 0.0 108.387 178.705 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 67.3 mt -63.09 -44.79 94.76 Favored 'General case' 0 C--N 1.332 -0.18 0 O-C-N 121.482 -0.761 . . . . 0.0 110.16 173.747 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 33.8 t80 -52.79 -46.8 67.77 Favored 'General case' 0 C--O 1.232 0.16 0 N-CA-C 109.724 -0.473 . . . . 0.0 109.724 178.935 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 14' ' ' MET . . . . . . . . . . . . . 28.8 ttm -52.95 -63.64 1.08 Allowed 'General case' 0 N--CA 1.448 -0.556 0 C-N-CA 123.743 0.817 . . . . 0.0 110.124 171.575 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 4.1 mtpm? -48.31 -42.67 31.68 Favored 'General case' 0 CA--C 1.535 0.4 0 CA-C-N 119.096 0.862 . . . . 0.0 111.921 -176.155 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 48.9 mt-10 -70.43 -69.86 0.33 Allowed 'General case' 0 CA--C 1.536 0.434 0 C-N-CA 123.139 0.576 . . . . 0.0 112.025 179.957 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 17' ' ' MET . . . . . . . . . . . . . 13.4 mtp -79.91 -22.32 42.89 Favored 'General case' 0 C--O 1.23 0.077 0 N-CA-C 114.448 1.277 . . . . 0.0 114.448 -169.465 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 21.2 ttp85 -57.23 -38.32 73.61 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 119.163 0.892 . . . . 0.0 112.185 -171.585 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -52.4 -46.92 66.48 Favored 'General case' 0 CA--C 1.533 0.308 0 O-C-N 121.369 -0.832 . . . . 0.0 110.688 173.271 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 20' ' ' ASN . . . . . . . . . . . . . 12.4 t30 -62.34 -49.88 73.83 Favored 'General case' 0 N--CA 1.451 -0.382 0 N-CA-C 109.732 -0.47 . . . . 0.0 109.732 177.308 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 21' ' ' VAL . . . . . 0.421 HG13 HG21 ' A' ' 36' ' ' ILE . 43.8 t -49.0 -54.6 5.01 Favored 'Isoleucine or valine' 0 N--CA 1.461 0.099 0 CA-C-N 117.962 0.346 . . . . 0.0 110.918 176.177 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 43.1 t -56.3 -49.66 75.49 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.469 0 N-CA-C 108.085 -1.08 . . . . 0.0 108.085 -175.809 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -53.83 -52.76 59.34 Favored 'General case' 0 CA--C 1.537 0.467 0 N-CA-C 112.175 0.435 . . . . 0.0 112.175 175.159 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 41.1 mt-10 -62.03 -54.92 34.74 Favored 'General case' 0 CA--C 1.532 0.268 0 CA-C-O 121.434 0.635 . . . . 0.0 111.933 -177.013 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 87.3 p -79.71 -25.1 41.27 Favored 'General case' 0 CA--C 1.514 -0.412 0 N-CA-C 115.416 1.636 . . . . 0.0 115.416 -167.963 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 17.6 p 64.71 6.63 3.36 Favored 'General case' 0 C--N 1.32 -0.714 0 C-N-CA 127.03 2.132 . . . . 0.0 112.226 -168.814 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -79.43 159.13 27.16 Favored 'General case' 0 C--N 1.343 0.323 0 CA-C-N 118.668 0.667 . . . . 0.0 109.618 169.117 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 8.3 mptt -132.8 -44.44 0.88 Allowed 'General case' 0 N--CA 1.448 -0.526 0 C-N-CA 124.223 1.009 . . . . 0.0 109.294 176.411 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 2.7 mp0 -38.95 102.32 0.02 OUTLIER 'General case' 0 N--CA 1.452 -0.337 0 C-N-CA 127.584 2.354 . . . . 0.0 109.285 -174.728 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 9.3 t -52.62 -38.26 59.89 Favored 'General case' 0 N--CA 1.449 -0.518 0 N-CA-C 113.179 0.807 . . . . 0.0 113.179 -168.042 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -63.45 -37.73 88.41 Favored 'General case' 0 CA--C 1.535 0.375 0 CA-C-N 119.603 1.092 . . . . 0.0 112.504 178.939 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -69.43 -49.21 57.26 Favored 'General case' 0 N--CA 1.462 0.174 0 CA-C-O 122.447 1.118 . . . . 0.0 109.021 175.444 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 33' ' ' ILE . . . . . . . . . . . . . 4.6 mm -59.63 -35.72 61.16 Favored 'Isoleucine or valine' 0 CA--C 1.542 0.66 0 C-N-CA 124.725 1.21 . . . . 0.0 111.543 -177.356 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 3.8 m-80 -58.24 -45.91 86.92 Favored 'General case' 0 N--CA 1.462 0.141 0 C-N-CA 124.283 1.033 . . . . 0.0 111.351 169.816 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 40.1 mt-30 -66.22 -40.63 90.42 Favored 'General case' 0 N--CA 1.454 -0.245 0 O-C-N 121.874 -0.516 . . . . 0.0 110.441 178.142 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 36' ' ' ILE . . . . . 0.421 HG21 HG13 ' A' ' 21' ' ' VAL . 45.1 mt -51.21 -54.64 10.35 Favored 'Isoleucine or valine' 0 C--N 1.341 0.217 0 N-CA-C 109.627 -0.509 . . . . 0.0 109.627 170.605 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 16.2 mt -55.72 -44.58 77.63 Favored 'General case' 0 CA--C 1.534 0.361 0 CA-C-N 118.574 0.624 . . . . 0.0 111.433 176.601 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -49.65 -48.71 35.48 Favored Glycine 0 CA--C 1.529 0.939 0 N-CA-C 111.232 -0.747 . . . . 0.0 111.232 176.08 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -60.17 -62.66 1.71 Allowed 'General case' 0 N--CA 1.448 -0.549 0 O-C-N 122.217 -0.578 . . . . 0.0 110.272 172.28 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 51.1 mtt180 -54.72 -32.45 59.68 Favored 'General case' 0 C--N 1.338 0.091 0 C-N-CA 123.716 0.806 . . . . 0.0 112.893 -169.397 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 41' ' ' TRP . . . . . . . . . . . . . 55.8 t-105 -40.59 -43.37 1.88 Allowed 'General case' 0 CA--C 1.531 0.236 0 C-N-CA 123.382 0.673 . . . . 0.0 112.247 172.803 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 42' ' ' HIS . . . . . . . . . . . . . 75.6 m80 -59.1 -19.88 48.44 Favored 'General case' 0 CA--C 1.533 0.323 0 N-CA-C 112.873 0.694 . . . . 0.0 112.873 -174.713 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -79.1 -19.24 51.69 Favored 'General case' 0 CA--C 1.534 0.343 0 C-N-CA 123.071 0.548 . . . . 0.0 111.9 177.299 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 40.3 mt -62.87 128.54 36.36 Favored 'General case' 0 C--O 1.234 0.265 0 CA-C-N 118.943 0.792 . . . . 0.0 109.993 178.75 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 80.2 p -58.69 155.4 12.73 Favored 'General case' 0 N--CA 1.453 -0.277 0 N-CA-C 108.95 -0.759 . . . . 0.0 108.95 169.811 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -50.53 -35.68 30.67 Favored 'General case' 0 CA--C 1.534 0.33 0 O-C-N 121.731 -0.606 . . . . 0.0 110.957 175.45 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 50.1 mp0 -67.37 -50.05 61.39 Favored 'General case' 0 N--CA 1.452 -0.343 0 C-N-CA 123.563 0.745 . . . . 0.0 110.882 176.262 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 43.4 mt-10 -56.19 -43.91 78.92 Favored 'General case' 0 CA--C 1.531 0.22 0 O-C-N 122.007 -0.433 . . . . 0.0 110.581 175.189 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 71.8 mt-30 -56.78 -55.37 35.16 Favored 'General case' 0 N--CA 1.454 -0.231 0 N-CA-C 109.323 -0.621 . . . . 0.0 109.323 174.992 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -48.41 -44.75 35.26 Favored 'General case' 0 CA--C 1.534 0.355 0 C-N-CA 123.006 0.522 . . . . 0.0 111.66 178.778 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 5.5 pttt -45.28 -44.82 11.66 Favored 'General case' 0 CA--C 1.53 0.204 0 C-N-CA 123.435 0.694 . . . . 0.0 111.164 174.871 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 52' ' ' TYR . . . . . 0.441 ' HB3' ' CB ' ' A' ' 9' ' ' ALA . 40.0 m-85 -64.2 -34.81 78.94 Favored 'General case' 0 CA--C 1.514 -0.416 0 N-CA-C 112.832 0.678 . . . . 0.0 112.832 -179.028 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 53' ' ' TYR . . . . . . . . . . . . . 78.4 m-85 -74.19 -39.41 63.19 Favored 'General case' 0 N--CA 1.452 -0.361 0 N-CA-C 108.802 -0.814 . . . . 0.0 108.802 -177.999 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 42.4 mt-10 -54.76 -60.66 3.06 Favored 'General case' 0 CA--C 1.536 0.435 0 N-CA-C 109.416 -0.587 . . . . 0.0 109.416 169.62 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 5.6 mp -47.71 -50.86 23.93 Favored 'General case' 0 C--O 1.225 -0.208 0 C-N-CA 124.108 0.963 . . . . 0.0 113.399 175.405 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.531 0.236 0 N-CA-C 109.645 -0.502 . . . . 0.0 109.645 178.48 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 5.9 p30 . . . . . 0 N--CA 1.446 -0.673 0 CA-C-O 122.287 1.042 . . . . 0.0 111.825 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' A' A ' 9' ' ' ALA . . . . . 0.418 ' CB ' ' HB3' ' A' ' 52' ' ' TYR . . . -38.55 -62.9 0.55 Allowed 'General case' 0 N--CA 1.447 -0.58 0 C-N-CA 126.714 2.006 . . . . 0.0 113.408 179.644 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 10' ' ' PHE . . . . . . . . . . . . . 5.4 m-85 -71.34 -25.88 62.58 Favored 'General case' 0 N--CA 1.453 -0.284 0 O-C-N 121.456 -0.777 . . . . 0.0 111.155 -170.554 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 11' ' ' MET . . . . . . . . . . . . . 65.2 mmm -67.74 -41.3 83.6 Favored 'General case' 0 N--CA 1.454 -0.267 0 N-CA-C 108.755 -0.832 . . . . 0.0 108.755 177.231 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 59.7 mt -64.73 -44.43 90.19 Favored 'General case' 0 C--O 1.231 0.091 0 O-C-N 121.661 -0.649 . . . . 0.0 110.062 173.107 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 27.3 t80 -52.43 -46.04 66.22 Favored 'General case' 0 N--CA 1.462 0.174 0 N-CA-C 109.353 -0.61 . . . . 0.0 109.353 178.158 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 14' ' ' MET . . . . . . . . . . . . . 30.2 ttm -55.51 -63.96 1.0 Allowed 'General case' 0 N--CA 1.445 -0.723 0 CA-C-O 118.459 -0.781 . . . . 0.0 110.31 171.816 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 1.5 mtpm? -48.3 -42.1 30.02 Favored 'General case' 0 CA--C 1.534 0.342 0 CA-C-N 120.015 1.28 . . . . 0.0 112.191 -175.539 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 49.3 mt-10 -70.03 -66.75 0.55 Allowed 'General case' 0 CA--C 1.535 0.392 0 C-N-CA 123.169 0.588 . . . . 0.0 111.947 179.225 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 17' ' ' MET . . . . . . . . . . . . . 14.5 mtp -86.42 -23.83 25.92 Favored 'General case' 0 C--O 1.226 -0.171 0 N-CA-C 114.92 1.452 . . . . 0.0 114.92 -168.849 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 18' ' ' ARG . . . . . 0.426 ' HG2' ' CG2' ' A' ' 33' ' ' ILE . 7.6 tmm_? -55.45 -42.26 74.0 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-N 119.608 1.095 . . . . 0.0 111.362 -175.851 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -53.88 -46.68 71.4 Favored 'General case' 0 CA--C 1.533 0.324 0 O-C-N 122.026 -0.421 . . . . 0.0 110.634 172.045 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 20' ' ' ASN . . . . . . . . . . . . . 9.9 t30 -61.99 -47.36 85.18 Favored 'General case' 0 C--O 1.222 -0.389 0 N-CA-C 109.905 -0.406 . . . . 0.0 109.905 177.904 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 73.8 t -51.55 -53.55 15.89 Favored 'Isoleucine or valine' 0 N--CA 1.46 0.055 0 CA-C-N 118.856 0.753 . . . . 0.0 110.499 175.539 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 55.0 t -59.01 -37.28 66.75 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.369 0 C-N-CA 122.679 0.392 . . . . 0.0 110.412 -178.735 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -65.51 -47.55 75.58 Favored 'General case' 0 CA--C 1.539 0.523 0 O-C-N 121.806 -0.559 . . . . 0.0 112.367 173.528 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 85.3 mt-10 -67.82 -55.72 11.9 Favored 'General case' 0 CA--C 1.53 0.199 0 CA-C-O 121.415 0.626 . . . . 0.0 111.465 -176.166 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 53.5 p -86.98 176.61 7.56 Favored 'General case' 0 N--CA 1.449 -0.503 0 C-N-CA 124.56 1.144 . . . . 0.0 111.582 -168.881 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 4.3 p -82.75 -10.4 58.91 Favored 'General case' 0 N--CA 1.445 -0.676 0 C-N-CA 123.784 0.834 . . . . 0.0 110.716 169.552 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 4.1 mm? -80.91 157.19 25.68 Favored 'General case' 0 N--CA 1.446 -0.642 0 CA-C-O 122.213 1.006 . . . . 0.0 112.784 -171.036 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 2.0 mptp? -144.77 -33.75 0.37 Allowed 'General case' 0 N--CA 1.454 -0.267 0 CA-C-N 113.162 -1.835 . . . . 0.0 110.973 169.465 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 42.3 mt-10 -53.95 113.75 1.34 Allowed 'General case' 0 C--N 1.343 0.287 0 N-CA-C 108.287 -1.005 . . . . 0.0 108.287 -172.346 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 18.1 t -52.79 -46.28 67.54 Favored 'General case' 0 N--CA 1.45 -0.441 0 O-C-N 123.577 0.548 . . . . 0.0 110.966 -169.098 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -56.26 -38.53 71.28 Favored 'General case' 0 CA--C 1.533 0.32 0 O-C-N 121.088 -1.007 . . . . 0.0 113.588 179.731 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -72.97 -50.61 22.29 Favored 'General case' 0 CA--C 1.528 0.113 0 O-C-N 121.397 -0.814 . . . . 0.0 109.207 176.429 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 33' ' ' ILE . . . . . 0.426 ' CG2' ' HG2' ' A' ' 18' ' ' ARG . 8.5 mm -52.29 -35.07 19.13 Favored 'Isoleucine or valine' 0 CA--C 1.543 0.692 0 C-N-CA 125.36 1.464 . . . . 0.0 112.078 178.541 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 81.9 m-20 -75.94 -33.6 59.83 Favored 'General case' 0 C--N 1.332 -0.177 0 C-N-CA 124.445 1.098 . . . . 0.0 110.123 -178.86 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 40.7 mt-30 -69.15 -40.71 78.03 Favored 'General case' 0 CA--C 1.532 0.272 0 O-C-N 121.898 -0.501 . . . . 0.0 109.986 169.793 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 17.5 mt -50.88 -53.42 13.89 Favored 'Isoleucine or valine' 0 C--N 1.342 0.26 0 N-CA-C 108.892 -0.781 . . . . 0.0 108.892 169.964 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 14.2 mt -57.45 -44.13 84.51 Favored 'General case' 0 CA--C 1.535 0.375 0 O-C-N 121.408 -0.807 . . . . 0.0 111.187 177.3 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -46.57 -48.44 17.05 Favored Glycine 0 CA--C 1.532 1.119 0 N-CA-C 111.535 -0.626 . . . . 0.0 111.535 172.172 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 3.7 tmm_? -62.88 -58.96 5.58 Favored 'General case' 0 N--CA 1.446 -0.669 0 O-C-N 121.945 -0.738 . . . . 0.0 110.912 173.371 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 19.5 mtp180 -58.64 -28.95 66.15 Favored 'General case' 0 N--CA 1.461 0.077 0 C-N-CA 123.678 0.791 . . . . 0.0 112.2 -168.923 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 41' ' ' TRP . . . . . . . . . . . . . 63.8 t-105 -41.97 -42.82 2.92 Favored 'General case' 0 N--CA 1.451 -0.384 0 C-N-CA 123.265 0.626 . . . . 0.0 112.222 169.682 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 42' ' ' HIS . . . . . . . . . . . . . 73.4 m80 -59.16 -20.92 58.0 Favored 'General case' 0 CA--C 1.533 0.327 0 C-N-CA 124.083 0.953 . . . . 0.0 112.817 -176.358 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -79.12 -18.76 52.64 Favored 'General case' 0 CA--C 1.533 0.293 0 CA-C-N 118.247 0.476 . . . . 0.0 111.62 177.227 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 34.2 mt -67.15 125.95 27.66 Favored 'General case' 0 N--CA 1.454 -0.254 0 CA-C-N 118.725 0.693 . . . . 0.0 110.022 178.926 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 79.6 p -57.69 159.84 4.89 Favored 'General case' 0 CA--C 1.531 0.24 0 N-CA-C 109.4 -0.593 . . . . 0.0 109.4 169.203 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 4.1 mmp_? -49.13 -38.86 26.44 Favored 'General case' 0 CA--C 1.531 0.246 0 O-C-N 122.019 -0.425 . . . . 0.0 111.589 175.695 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 51.7 mp0 -67.57 -50.7 57.2 Favored 'General case' 0 N--CA 1.45 -0.428 0 C-N-CA 123.652 0.781 . . . . 0.0 110.821 178.717 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 33.7 mt-10 -55.67 -43.64 76.52 Favored 'General case' 0 C--O 1.226 -0.174 0 O-C-N 122.268 -0.27 . . . . 0.0 110.607 175.602 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 69.6 mt-30 -57.05 -58.94 5.96 Favored 'General case' 0 N--CA 1.454 -0.25 0 N-CA-C 109.088 -0.708 . . . . 0.0 109.088 174.567 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -47.32 -43.01 22.4 Favored 'General case' 0 C--O 1.235 0.297 0 C-N-CA 123.8 0.84 . . . . 0.0 112.111 -178.91 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -46.54 -42.17 15.37 Favored 'General case' 0 CA--C 1.533 0.289 0 C-N-CA 122.904 0.482 . . . . 0.0 111.276 176.974 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 52' ' ' TYR . . . . . 0.418 ' HB3' ' CB ' ' A' ' 9' ' ' ALA . 44.1 m-85 -63.66 -35.49 80.7 Favored 'General case' 0 N--CA 1.453 -0.306 0 N-CA-C 112.949 0.722 . . . . 0.0 112.949 -179.217 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 53' ' ' TYR . . . . . . . . . . . . . 40.1 m-85 -71.46 -40.0 70.58 Favored 'General case' 0 N--CA 1.452 -0.338 0 N-CA-C 107.547 -1.279 . . . . 0.0 107.547 -176.488 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 79.3 mm-40 -57.61 -60.97 2.86 Favored 'General case' 0 CA--C 1.533 0.299 0 N-CA-C 109.905 -0.406 . . . . 0.0 109.905 169.536 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 6.1 mp -45.48 -50.16 12.95 Favored 'General case' 0 C--O 1.224 -0.257 0 C-N-CA 124.401 1.08 . . . . 0.0 113.38 177.211 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.536 0.41 0 CA-C-O 121.227 0.537 . . . . 0.0 109.852 177.504 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 5.7 p30 . . . . . 0 N--CA 1.446 -0.66 0 CA-C-O 122.089 0.947 . . . . 0.0 112.023 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -38.89 -63.34 0.53 Allowed 'General case' 0 N--CA 1.449 -0.484 0 C-N-CA 126.956 2.102 . . . . 0.0 113.712 178.57 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 10' ' ' PHE . . . . . . . . . . . . . 5.3 m-85 -71.69 -22.6 61.63 Favored 'General case' 0 N--CA 1.451 -0.378 0 O-C-N 121.361 -0.837 . . . . 0.0 111.538 -169.651 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 11' ' ' MET . . . . . . . . . . . . . 54.5 mmm -66.55 -45.23 80.06 Favored 'General case' 0 N--CA 1.455 -0.195 0 N-CA-C 108.44 -0.948 . . . . 0.0 108.44 176.693 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 11.0 mt -61.43 -47.23 86.68 Favored 'General case' 0 CA--C 1.531 0.212 0 N-CA-C 109.382 -0.599 . . . . 0.0 109.382 174.859 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 45.5 t80 -52.4 -49.42 64.51 Favored 'General case' 0 N--CA 1.467 0.4 0 N-CA-C 109.939 -0.393 . . . . 0.0 109.939 179.871 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 14' ' ' MET . . . . . . . . . . . . . 18.4 ttm -53.16 -60.53 3.17 Favored 'General case' 0 N--CA 1.445 -0.695 0 C-N-CA 123.895 0.878 . . . . 0.0 109.935 172.553 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 35.8 mttm -47.57 -44.75 26.46 Favored 'General case' 0 CA--C 1.535 0.379 0 CA-C-N 119.514 1.052 . . . . 0.0 112.036 -178.199 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 45.1 mt-10 -69.48 -68.93 0.37 Allowed 'General case' 0 CA--C 1.537 0.444 0 C-N-CA 122.716 0.406 . . . . 0.0 111.986 179.893 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 17' ' ' MET . . . . . . . . . . . . . 10.0 mtp -79.96 -22.27 42.8 Favored 'General case' 0 N--CA 1.457 -0.087 0 N-CA-C 114.558 1.318 . . . . 0.0 114.558 -169.251 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 24.2 ttp85 -58.87 -39.45 81.39 Favored 'General case' 0 N--CA 1.452 -0.333 0 CA-C-N 119.41 1.005 . . . . 0.0 111.566 -175.303 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -53.35 -46.95 69.73 Favored 'General case' 0 CA--C 1.53 0.189 0 O-C-N 121.754 -0.591 . . . . 0.0 110.205 173.897 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 20' ' ' ASN . . . . . . . . . . . . . 10.2 t30 -59.65 -52.96 63.3 Favored 'General case' 0 C--O 1.222 -0.385 0 CA-C-O 119.047 -0.501 . . . . 0.0 109.756 175.56 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 52.1 t -47.36 -54.5 2.89 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.254 0 CA-C-N 118.848 0.749 . . . . 0.0 111.114 177.08 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 55.6 t -62.43 -36.36 74.42 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.445 0 C-N-CA 123.447 0.699 . . . . 0.0 110.156 -176.314 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -65.31 -47.24 77.28 Favored 'General case' 0 CA--C 1.537 0.464 0 O-C-N 121.863 -0.523 . . . . 0.0 112.33 172.93 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 19.7 mt-10 -69.24 -53.49 19.59 Favored 'General case' 0 CA--C 1.53 0.191 0 O-C-N 121.921 -0.487 . . . . 0.0 111.143 -176.117 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 54.6 p -83.22 172.36 12.68 Favored 'General case' 0 N--CA 1.451 -0.4 0 C-N-CA 124.059 0.944 . . . . 0.0 110.366 -172.098 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 4.2 p -81.89 -12.59 58.36 Favored 'General case' 0 N--CA 1.45 -0.446 0 C-N-CA 123.424 0.69 . . . . 0.0 111.265 170.322 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -86.06 159.89 19.45 Favored 'General case' 0 N--CA 1.45 -0.473 0 CA-C-O 122.134 0.969 . . . . 0.0 113.287 -169.44 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 1.5 mptp? -141.7 -39.47 0.38 Allowed 'General case' 0 CA--C 1.531 0.222 0 C-N-CA 125.957 1.703 . . . . 0.0 109.971 174.991 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 3.0 mp0 -39.37 106.63 0.06 Allowed 'General case' 0 C--O 1.238 0.482 0 C-N-CA 126.963 2.105 . . . . 0.0 110.911 -179.402 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 24.3 t -76.76 73.88 3.41 Favored 'General case' 0 N--CA 1.452 -0.356 0 CA-C-O 121.744 0.783 . . . . 0.0 109.096 -173.782 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -168.92 -50.44 0.02 OUTLIER 'General case' 0 C--N 1.327 -0.391 0 N-CA-C 105.654 -1.98 . . . . 0.0 105.654 170.119 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -63.08 -47.58 82.3 Favored 'General case' 0 N--CA 1.453 -0.315 0 N-CA-C 107.58 -1.267 . . . . 0.0 107.58 168.115 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 33' ' ' ILE . . . . . . . . . . . . . 8.0 mm -57.31 -39.36 67.36 Favored 'Isoleucine or valine' 0 CA--C 1.538 0.49 0 C-N-CA 123.455 0.702 . . . . 0.0 111.609 174.216 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 81.4 m-20 -71.46 -35.58 70.92 Favored 'General case' 0 N--CA 1.463 0.182 0 O-C-N 121.202 -0.936 . . . . 0.0 110.882 -178.963 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 32.1 mt-30 -65.04 -41.5 95.14 Favored 'General case' 0 CA--C 1.534 0.364 0 O-C-N 121.686 -0.634 . . . . 0.0 111.066 169.75 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 16.1 mt -50.2 -53.84 10.31 Favored 'Isoleucine or valine' 0 C--N 1.343 0.29 0 N-CA-C 109.121 -0.696 . . . . 0.0 109.121 170.799 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 17.1 mt -56.38 -45.71 80.41 Favored 'General case' 0 CA--C 1.535 0.385 0 CA-C-N 118.678 0.672 . . . . 0.0 111.375 176.515 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -46.0 -48.74 14.17 Favored Glycine 0 CA--C 1.53 1.022 0 N-CA-C 111.552 -0.619 . . . . 0.0 111.552 174.19 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -63.26 -60.9 2.79 Favored 'General case' 0 N--CA 1.448 -0.559 0 C-N-CA 123.349 0.659 . . . . 0.0 110.762 173.326 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 83.8 mtt180 -56.24 -30.91 63.01 Favored 'General case' 0 N--CA 1.462 0.138 0 C-N-CA 124.02 0.928 . . . . 0.0 112.59 -169.454 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 41' ' ' TRP . . . . . . . . . . . . . 59.5 t-105 -39.69 -43.63 1.41 Allowed 'General case' 0 N--CA 1.453 -0.307 0 C-N-CA 123.444 0.698 . . . . 0.0 112.391 171.176 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 42' ' ' HIS . . . . . . . . . . . . . 75.9 m80 -59.77 -18.44 43.32 Favored 'General case' 0 CA--C 1.533 0.298 0 N-CA-C 113.056 0.762 . . . . 0.0 113.056 -174.422 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -79.15 -18.8 52.48 Favored 'General case' 0 CA--C 1.535 0.374 0 C-N-CA 123.008 0.523 . . . . 0.0 111.909 176.5 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 26.3 mt -63.82 130.7 45.24 Favored 'General case' 0 C--O 1.233 0.216 0 CA-C-N 119.023 0.829 . . . . 0.0 110.123 177.881 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 83.6 p -59.19 156.91 11.39 Favored 'General case' 0 CA--C 1.529 0.146 0 N-CA-C 108.875 -0.787 . . . . 0.0 108.875 169.507 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 4.2 mmp_? -53.32 -32.22 47.93 Favored 'General case' 0 CA--C 1.535 0.369 0 O-C-N 121.581 -0.7 . . . . 0.0 111.556 177.195 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 46.8 mp0 -69.93 -50.38 42.65 Favored 'General case' 0 N--CA 1.453 -0.285 0 C-N-CA 123.672 0.789 . . . . 0.0 110.648 176.626 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 42.0 mt-10 -55.39 -44.55 76.21 Favored 'General case' 0 CA--C 1.529 0.17 0 O-C-N 122.17 -0.331 . . . . 0.0 110.359 175.024 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 75.2 mt-30 -55.33 -59.59 4.58 Favored 'General case' 0 N--CA 1.452 -0.333 0 N-CA-C 108.976 -0.75 . . . . 0.0 108.976 173.902 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -45.77 -44.5 13.97 Favored 'General case' 0 CA--C 1.533 0.323 0 C-N-CA 123.895 0.878 . . . . 0.0 112.193 -179.253 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 6.6 pttt -44.46 -43.21 7.64 Favored 'General case' 0 CA--C 1.531 0.239 0 C-N-CA 123.173 0.589 . . . . 0.0 111.354 176.594 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 52' ' ' TYR . . . . . . . . . . . . . 49.2 m-85 -66.12 -36.5 83.33 Favored 'General case' 0 N--CA 1.452 -0.367 0 N-CA-C 112.94 0.719 . . . . 0.0 112.94 -178.062 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 53' ' ' TYR . . . . . . . . . . . . . 36.7 m-85 -69.28 -42.46 75.46 Favored 'General case' 0 N--CA 1.453 -0.305 0 N-CA-C 107.153 -1.425 . . . . 0.0 107.153 -178.349 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 42.8 mt-10 -54.15 -58.39 7.55 Favored 'General case' 0 CA--C 1.535 0.366 0 CA-C-N 116.147 -0.479 . . . . 0.0 109.805 169.837 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 1.3 mt -51.8 -57.93 7.91 Favored 'General case' 0 N--CA 1.464 0.225 0 C-N-CA 123.643 0.777 . . . . 0.0 111.194 -177.861 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.453 -0.324 0 C-N-CA 124.223 1.009 . . . . 0.0 109.852 175.797 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 91.0 m-20 . . . . . 0 N--CA 1.443 -0.797 0 CA-C-O 121.988 0.899 . . . . 0.0 110.51 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -37.94 -66.17 0.28 Allowed 'General case' 0 N--CA 1.452 -0.352 0 C-N-CA 125.6 1.56 . . . . 0.0 115.045 -168.222 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 10' ' ' PHE . . . . . . . . . . . . . 4.3 m-85 -67.18 -19.29 65.55 Favored 'General case' 0 N--CA 1.453 -0.292 0 O-C-N 121.355 -0.841 . . . . 0.0 112.356 -169.693 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 11' ' ' MET . . . . . . . . . . . . . 48.2 mmm -69.6 -33.92 73.36 Favored 'General case' 0 N--CA 1.455 -0.22 0 CA-C-N 118.716 0.689 . . . . 0.0 109.325 177.814 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 65.5 mt -76.48 -41.81 45.79 Favored 'General case' 0 CA--C 1.515 -0.378 0 N-CA-C 109.462 -0.57 . . . . 0.0 109.462 174.476 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 29.6 t80 -53.1 -47.82 68.28 Favored 'General case' 0 C--N 1.339 0.109 0 N-CA-C 109.086 -0.709 . . . . 0.0 109.086 177.06 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 14' ' ' MET . . . . . . . . . . . . . 28.6 ttm -53.55 -66.04 0.46 Allowed 'General case' 0 N--CA 1.444 -0.736 0 C-N-CA 124.282 1.033 . . . . 0.0 110.237 170.202 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 14.0 mmtt -43.55 -44.29 6.03 Favored 'General case' 0 CA--C 1.537 0.453 0 CA-C-N 119.484 1.038 . . . . 0.0 112.516 -176.695 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 48.0 mt-10 -71.18 -65.21 0.77 Allowed 'General case' 0 CA--C 1.536 0.424 0 C-N-CA 123.507 0.723 . . . . 0.0 111.97 179.252 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 17' ' ' MET . . . . . . . . . . . . . 12.3 mtp -81.44 -28.95 33.98 Favored 'General case' 0 C--O 1.227 -0.083 0 N-CA-C 114.489 1.292 . . . . 0.0 114.489 -168.984 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 7.7 tmm_? -55.31 -41.43 72.36 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 121.476 -0.765 . . . . 0.0 112.23 -169.424 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -55.42 -46.11 76.7 Favored 'General case' 0 CA--C 1.534 0.35 0 O-C-N 121.425 -0.797 . . . . 0.0 111.176 172.215 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 20' ' ' ASN . . . . . . . . . . . . . 7.7 t30 -63.3 -46.22 87.76 Favored 'General case' 0 N--CA 1.453 -0.296 0 N-CA-C 109.573 -0.528 . . . . 0.0 109.573 178.27 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 64.3 t -51.69 -54.4 12.82 Favored 'Isoleucine or valine' 0 CA--C 1.521 -0.155 0 CA-C-N 118.168 0.44 . . . . 0.0 110.404 175.031 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 41.7 t -52.99 -50.22 45.61 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.374 0 N-CA-C 108.718 -0.845 . . . . 0.0 108.718 -178.203 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -54.4 -51.88 63.47 Favored 'General case' 0 CA--C 1.538 0.492 0 N-CA-C 112.265 0.468 . . . . 0.0 112.265 176.019 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 50.8 mt-10 -63.13 -57.53 10.27 Favored 'General case' 0 CA--C 1.533 0.312 0 CA-C-O 121.626 0.727 . . . . 0.0 112.179 -177.311 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 85.9 p -79.59 -22.11 44.15 Favored 'General case' 0 CA--C 1.514 -0.423 0 N-CA-C 115.718 1.747 . . . . 0.0 115.718 -167.609 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 17.6 p 64.11 7.47 3.44 Favored 'General case' 0 C--N 1.319 -0.736 0 C-N-CA 126.753 2.021 . . . . 0.0 112.42 -169.039 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -78.5 161.85 26.77 Favored 'General case' 0 CA--C 1.516 -0.328 0 CA-C-N 119.01 0.823 . . . . 0.0 109.473 169.242 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 1.1 mptp? -136.58 -43.64 0.6 Allowed 'General case' 0 N--CA 1.449 -0.521 0 CA-C-N 115.093 -0.958 . . . . 0.0 109.782 174.717 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 2.7 mp0 -38.88 103.13 0.03 OUTLIER 'General case' 0 C--O 1.236 0.348 0 C-N-CA 127.203 2.201 . . . . 0.0 109.229 -174.83 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 8.0 t -53.77 -37.0 62.99 Favored 'General case' 0 N--CA 1.447 -0.624 0 N-CA-C 113.89 1.07 . . . . 0.0 113.89 -167.623 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -64.81 -37.43 87.6 Favored 'General case' 0 CA--C 1.535 0.391 0 CA-C-N 119.682 1.128 . . . . 0.0 112.362 178.109 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -68.47 -49.29 60.87 Favored 'General case' 0 CA--C 1.527 0.089 0 CA-C-O 122.196 0.998 . . . . 0.0 108.832 175.642 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 33' ' ' ILE . . . . . . . . . . . . . 7.5 mm -58.22 -37.37 62.29 Favored 'Isoleucine or valine' 0 CA--C 1.545 0.786 0 C-N-CA 124.885 1.274 . . . . 0.0 111.553 -179.612 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 3.8 m-80 -58.96 -46.96 86.77 Favored 'General case' 0 N--CA 1.462 0.157 0 C-N-CA 124.134 0.974 . . . . 0.0 111.195 170.737 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 38.1 mt-30 -64.51 -40.37 95.51 Favored 'General case' 0 CA--C 1.533 0.294 0 O-C-N 121.81 -0.556 . . . . 0.0 110.932 177.605 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 19.7 mt -51.12 -54.81 9.45 Favored 'Isoleucine or valine' 0 C--N 1.34 0.194 0 N-CA-C 109.57 -0.53 . . . . 0.0 109.57 170.207 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 15.2 mt -55.75 -42.9 76.11 Favored 'General case' 0 CA--C 1.535 0.396 0 CA-C-N 118.577 0.626 . . . . 0.0 111.087 177.712 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -47.24 -52.28 13.4 Favored Glycine 0 CA--C 1.529 0.911 0 N-CA-C 111.077 -0.809 . . . . 0.0 111.077 172.096 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -60.51 -56.68 18.44 Favored 'General case' 0 N--CA 1.447 -0.62 0 O-C-N 121.779 -0.836 . . . . 0.0 110.972 174.434 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 61.4 mtt180 -58.56 -32.05 68.55 Favored 'General case' 0 CA--C 1.52 -0.175 0 O-C-N 121.832 -0.543 . . . . 0.0 111.89 -169.086 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 41' ' ' TRP . . . . . . . . . . . . . 63.0 t-105 -45.19 -40.13 6.94 Favored 'General case' 0 N--CA 1.451 -0.375 0 N-CA-C 112.457 0.54 . . . . 0.0 112.457 171.857 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 42' ' ' HIS . . . . . . . . . . . . . 64.7 m80 -59.85 -18.94 48.11 Favored 'General case' 0 CA--C 1.532 0.274 0 C-N-CA 123.481 0.712 . . . . 0.0 112.648 -177.009 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -79.33 -19.68 49.71 Favored 'General case' 0 CA--C 1.535 0.389 0 C-N-CA 123.018 0.527 . . . . 0.0 111.898 176.054 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 16.3 mt -70.0 127.12 31.76 Favored 'General case' 0 N--CA 1.455 -0.216 0 CA-C-N 118.91 0.777 . . . . 0.0 110.906 -177.873 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 79.4 p -58.15 155.09 11.79 Favored 'General case' 0 CA--C 1.533 0.291 0 N-CA-C 108.255 -1.017 . . . . 0.0 108.255 168.486 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -55.57 -27.04 46.84 Favored 'General case' 0 CA--C 1.538 0.493 0 CA-C-N 119.279 0.945 . . . . 0.0 111.32 178.886 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 39.6 mp0 -68.94 -52.62 27.26 Favored 'General case' 0 CA--C 1.532 0.268 0 C-N-CA 123.65 0.78 . . . . 0.0 110.801 174.397 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 27.3 mt-10 -53.83 -42.84 68.91 Favored 'General case' 0 C--O 1.224 -0.24 0 O-C-N 122.194 -0.316 . . . . 0.0 110.391 173.787 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 75.0 mt-30 -58.08 -58.9 6.39 Favored 'General case' 0 N--CA 1.451 -0.42 0 N-CA-C 109.359 -0.608 . . . . 0.0 109.359 174.287 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -44.6 -43.68 8.34 Favored 'General case' 0 C--O 1.234 0.263 0 C-N-CA 125.148 1.379 . . . . 0.0 112.303 -177.767 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 4.0 pttp -47.9 -41.06 23.53 Favored 'General case' 0 CA--C 1.535 0.397 0 CA-C-N 117.668 0.213 . . . . 0.0 111.549 178.228 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 52' ' ' TYR . . . . . . . . . . . . . 57.2 m-85 -61.79 -35.76 79.11 Favored 'General case' 0 N--CA 1.453 -0.297 0 O-C-N 121.49 -0.756 . . . . 0.0 112.803 -179.886 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 53' ' ' TYR . . . . . . . . . . . . . 35.3 m-85 -72.59 -33.07 66.46 Favored 'General case' 0 N--CA 1.452 -0.346 0 N-CA-C 108.064 -1.087 . . . . 0.0 108.064 -175.204 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 41.7 mt-10 -65.9 -62.46 1.48 Allowed 'General case' 0 CA--C 1.534 0.336 0 C-N-CA 123.289 0.636 . . . . 0.0 109.507 169.714 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 5.8 mp -43.01 -51.98 5.45 Favored 'General case' 0 N--CA 1.464 0.241 0 C-N-CA 124.717 1.207 . . . . 0.0 112.568 177.11 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.538 0.499 0 C-N-CA 123.494 0.717 . . . . 0.0 110.061 176.636 . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 12.3 p-10 . . . . . 0 N--CA 1.449 -0.485 0 CA-C-O 121.873 0.844 . . . . 0.0 111.251 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -38.72 -69.09 0.13 Allowed 'General case' 0 N--CA 1.454 -0.239 0 C-N-CA 125.977 1.711 . . . . 0.0 113.946 -169.0 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 10' ' ' PHE . . . . . . . . . . . . . 4.3 m-85 -68.52 -20.49 64.57 Favored 'General case' 0 N--CA 1.452 -0.357 0 O-C-N 121.699 -0.626 . . . . 0.0 111.489 -170.436 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 11' ' ' MET . . . . . . . . . . . . . 78.0 mmm -75.49 -38.47 59.49 Favored 'General case' 0 N--CA 1.45 -0.447 0 N-CA-C 108.953 -0.758 . . . . 0.0 108.953 178.69 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 65.7 mt -63.91 -44.99 91.27 Favored 'General case' 0 N--CA 1.461 0.101 0 O-C-N 121.655 -0.653 . . . . 0.0 109.288 169.831 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 20.4 t80 -54.24 -46.54 72.59 Favored 'General case' 0 CA--C 1.529 0.145 0 N-CA-C 109.586 -0.524 . . . . 0.0 109.586 178.614 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 14' ' ' MET . . . . . . . . . . . . . 32.0 ttm -53.45 -62.51 1.61 Allowed 'General case' 0 N--CA 1.45 -0.454 0 C-N-CA 123.407 0.683 . . . . 0.0 110.119 170.723 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 18.9 mttt -46.37 -43.96 16.6 Favored 'General case' 0 CA--C 1.536 0.416 0 CA-C-N 118.804 0.729 . . . . 0.0 111.976 -176.852 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 47.2 mt-10 -71.0 -66.19 0.64 Allowed 'General case' 0 CA--C 1.537 0.457 0 C-N-CA 123.132 0.573 . . . . 0.0 111.882 178.71 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 17' ' ' MET . . . . . . . . . . . . . 9.2 mtp -81.42 -29.26 33.95 Favored 'General case' 0 C--O 1.227 -0.102 0 N-CA-C 114.635 1.346 . . . . 0.0 114.635 -169.002 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 7.2 tmm_? -55.33 -43.85 75.33 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 119.338 0.972 . . . . 0.0 111.114 -173.636 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -52.77 -47.88 67.2 Favored 'General case' 0 CA--C 1.533 0.319 0 O-C-N 121.99 -0.444 . . . . 0.0 110.762 172.685 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 20' ' ' ASN . . . . . . . . . . . . . 3.1 t30 -60.56 -50.43 73.56 Favored 'General case' 0 C--O 1.223 -0.306 0 N-CA-C 109.657 -0.498 . . . . 0.0 109.657 177.066 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 78.5 t -50.46 -51.25 19.32 Favored 'Isoleucine or valine' 0 N--CA 1.46 0.066 0 CA-C-N 118.893 0.77 . . . . 0.0 110.438 178.053 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 49.9 t -61.27 -37.18 76.99 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.374 0 C-N-CA 122.699 0.4 . . . . 0.0 110.038 -178.275 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -66.11 -46.3 78.08 Favored 'General case' 0 CA--C 1.538 0.482 0 O-C-N 121.762 -0.586 . . . . 0.0 112.306 173.908 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 28.9 mt-10 -69.97 -53.44 17.76 Favored 'General case' 0 CA--C 1.53 0.193 0 C-N-CA 123.085 0.554 . . . . 0.0 111.272 -175.662 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 53.3 p -84.2 175.86 9.16 Favored 'General case' 0 N--CA 1.451 -0.394 0 C-N-CA 124.005 0.922 . . . . 0.0 110.649 -169.867 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 4.3 p -83.39 -9.35 59.09 Favored 'General case' 0 N--CA 1.447 -0.585 0 C-N-CA 123.621 0.768 . . . . 0.0 111.24 169.9 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -90.55 155.7 18.69 Favored 'General case' 0 N--CA 1.448 -0.556 0 CA-C-O 122.264 1.03 . . . . 0.0 112.863 -169.694 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 7.9 mptt -137.64 -41.83 0.55 Allowed 'General case' 0 N--CA 1.45 -0.468 0 CA-C-N 113.573 -1.648 . . . . 0.0 109.081 173.729 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 2.9 mp0 -39.07 107.13 0.06 Allowed 'General case' 0 C--O 1.236 0.382 0 C-N-CA 127.257 2.223 . . . . 0.0 110.215 -177.888 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 12.1 t -54.49 -47.59 72.85 Favored 'General case' 0 N--CA 1.448 -0.56 0 CA-C-O 119.014 -0.517 . . . . 0.0 112.227 -168.583 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -55.86 -40.35 72.77 Favored 'General case' 0 CA--C 1.535 0.384 0 CA-C-N 120.192 1.36 . . . . 0.0 112.922 -178.278 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -70.17 -51.03 34.43 Favored 'General case' 0 CA--C 1.53 0.192 0 CA-C-O 121.708 0.765 . . . . 0.0 109.746 176.462 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 33' ' ' ILE . . . . . . . . . . . . . 6.8 mm -52.86 -37.63 26.22 Favored 'Isoleucine or valine' 0 CA--C 1.545 0.783 0 C-N-CA 124.582 1.153 . . . . 0.0 111.833 178.702 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 80.5 m-20 -71.39 -36.96 71.57 Favored 'General case' 0 C--N 1.328 -0.34 0 O-C-N 120.551 -1.343 . . . . 0.0 109.713 -179.039 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 38.5 mt-30 -65.38 -37.22 86.34 Favored 'General case' 0 CA--C 1.533 0.322 0 O-C-N 121.797 -0.564 . . . . 0.0 110.036 169.594 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 18.3 mt -54.84 -48.6 73.74 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.316 0 CA-C-N 119.089 0.858 . . . . 0.0 110.39 169.927 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 4.2 mm? -54.54 -50.1 68.71 Favored 'General case' 0 CA--C 1.538 0.505 0 CA-C-N 120.008 1.277 . . . . 0.0 109.584 173.607 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -47.61 -48.18 23.01 Favored Glycine 0 CA--C 1.533 1.157 0 C-N-CA 123.483 0.564 . . . . 0.0 112.296 176.994 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -61.83 -63.84 1.13 Allowed 'General case' 0 N--CA 1.448 -0.543 0 C-N-CA 123.803 0.841 . . . . 0.0 109.998 175.074 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 83.0 mtt180 -55.52 -30.36 60.56 Favored 'General case' 0 C--O 1.231 0.094 0 C-N-CA 123.971 0.908 . . . . 0.0 112.084 -169.616 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 41' ' ' TRP . . . . . . . . . . . . . 60.6 t-105 -40.67 -43.53 1.96 Allowed 'General case' 0 N--CA 1.454 -0.255 0 C-N-CA 123.295 0.638 . . . . 0.0 112.476 171.267 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 42' ' ' HIS . . . . . . . . . . . . . 73.9 m80 -59.53 -20.75 57.8 Favored 'General case' 0 CA--C 1.533 0.303 0 N-CA-C 112.841 0.682 . . . . 0.0 112.841 -174.952 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -79.29 -18.26 53.01 Favored 'General case' 0 CA--C 1.534 0.349 0 C-N-CA 122.998 0.519 . . . . 0.0 111.953 177.073 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 28.4 mt -66.28 125.81 26.76 Favored 'General case' 0 CA--C 1.532 0.287 0 CA-C-N 118.882 0.765 . . . . 0.0 110.295 -179.363 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 80.0 p -56.65 160.79 3.1 Favored 'General case' 0 CA--C 1.531 0.232 0 N-CA-C 109.993 -0.373 . . . . 0.0 109.993 169.464 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 59.7 ttp180 -44.11 -46.12 8.48 Favored 'General case' 0 CA--C 1.535 0.369 0 C-N-CA 123.589 0.756 . . . . 0.0 111.027 172.822 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 48.8 mp0 -67.27 -49.57 63.8 Favored 'General case' 0 N--CA 1.452 -0.361 0 C-N-CA 123.616 0.767 . . . . 0.0 111.095 -178.761 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 33.9 mt-10 -55.36 -43.21 74.87 Favored 'General case' 0 C--O 1.224 -0.283 0 O-C-N 122.265 -0.272 . . . . 0.0 110.623 176.079 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 72.3 mt-30 -58.49 -58.88 6.57 Favored 'General case' 0 N--CA 1.455 -0.225 0 N-CA-C 109.1 -0.704 . . . . 0.0 109.1 174.219 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -45.61 -43.76 12.52 Favored 'General case' 0 C--O 1.235 0.327 0 C-N-CA 124.268 1.027 . . . . 0.0 112.325 -178.366 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 1.7 pttp -47.64 -40.91 20.89 Favored 'General case' 0 CA--C 1.533 0.31 0 C-N-CA 122.644 0.378 . . . . 0.0 111.437 178.018 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 52' ' ' TYR . . . . . . . . . . . . . 48.4 m-85 -65.31 -33.26 75.56 Favored 'General case' 0 N--CA 1.453 -0.307 0 N-CA-C 113.013 0.746 . . . . 0.0 113.013 -179.445 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 53' ' ' TYR . . . . . . . . . . . . . 40.7 m-85 -73.51 -42.78 61.36 Favored 'General case' 0 N--CA 1.45 -0.443 0 N-CA-C 107.277 -1.379 . . . . 0.0 107.277 -177.343 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 42.8 mt-10 -53.95 -61.53 2.24 Favored 'General case' 0 CA--C 1.535 0.373 0 CA-C-N 116.15 -0.477 . . . . 0.0 109.985 170.031 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 5.1 mp -48.58 -51.07 29.7 Favored 'General case' 0 C--O 1.224 -0.237 0 C-N-CA 124.247 1.019 . . . . 0.0 113.294 176.559 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.533 0.303 0 CA-C-N 118.542 0.61 . . . . 0.0 109.824 177.914 . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 5.5 p30 . . . . . 0 N--CA 1.446 -0.659 0 CA-C-O 122.284 1.04 . . . . 0.0 111.521 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' A' A ' 9' ' ' ALA . . . . . 0.424 ' CB ' ' HB3' ' A' ' 52' ' ' TYR . . . -38.79 -62.33 0.63 Allowed 'General case' 0 N--CA 1.448 -0.564 0 C-N-CA 127.028 2.131 . . . . 0.0 113.986 -179.565 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 10' ' ' PHE . . . . . . . . . . . . . 5.4 m-85 -69.22 -25.41 64.29 Favored 'General case' 0 N--CA 1.455 -0.195 0 O-C-N 121.337 -0.852 . . . . 0.0 111.567 -169.278 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 11' ' ' MET . . . . . . . . . . . . . 60.6 mmm -65.83 -36.52 83.7 Favored 'General case' 0 CA--C 1.532 0.268 0 N-CA-C 109.134 -0.691 . . . . 0.0 109.134 177.612 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 57.4 mt -72.48 -43.77 63.23 Favored 'General case' 0 CA--C 1.521 -0.158 0 O-C-N 121.851 -0.531 . . . . 0.0 109.902 174.523 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 19.4 t80 -53.94 -47.28 71.43 Favored 'General case' 0 C--N 1.34 0.195 0 N-CA-C 109.3 -0.63 . . . . 0.0 109.3 178.861 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 14' ' ' MET . . . . . . . . . . . . . 16.1 ttm -54.13 -63.02 1.28 Allowed 'General case' 0 N--CA 1.444 -0.726 0 C-N-CA 124.124 0.97 . . . . 0.0 110.313 170.041 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 15.7 mmtt -43.93 -43.64 6.61 Favored 'General case' 0 CA--C 1.537 0.469 0 CA-C-N 120.2 1.364 . . . . 0.0 112.453 -178.029 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 45.7 mt-10 -71.31 -64.57 0.89 Allowed 'General case' 0 CA--C 1.538 0.505 0 C-N-CA 123.074 0.549 . . . . 0.0 112.106 178.496 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 17' ' ' MET . . . . . . . . . . . . . 4.1 mtp -79.87 -31.84 40.4 Favored 'General case' 0 C--O 1.224 -0.279 0 N-CA-C 114.074 1.138 . . . . 0.0 114.074 -169.057 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 7.4 tmm_? -56.63 -44.36 81.15 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 121.445 -0.784 . . . . 0.0 111.704 -170.051 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -53.53 -46.67 70.22 Favored 'General case' 0 CA--C 1.532 0.26 0 O-C-N 121.819 -0.551 . . . . 0.0 110.395 172.887 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 20' ' ' ASN . . . . . . . . . . . . . 47.8 t30 -59.15 -53.74 54.88 Favored 'General case' 0 C--O 1.221 -0.416 0 N-CA-C 109.235 -0.654 . . . . 0.0 109.235 176.961 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 71.9 t -47.22 -51.41 6.06 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.315 0 CA-C-N 118.898 0.772 . . . . 0.0 111.242 175.907 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 42.3 t -61.81 -36.23 72.49 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.37 0 C-N-CA 122.441 0.296 . . . . 0.0 110.342 -177.651 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -68.29 -42.81 78.94 Favored 'General case' 0 CA--C 1.54 0.574 0 O-C-N 121.885 -0.509 . . . . 0.0 112.154 173.315 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 47.5 mt-10 -67.51 -55.21 14.42 Favored 'General case' 0 CA--C 1.531 0.216 0 C-N-CA 124.546 1.139 . . . . 0.0 111.175 -176.769 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 56.0 p -89.53 175.99 7.07 Favored 'General case' 0 N--CA 1.45 -0.46 0 C-N-CA 125.013 1.325 . . . . 0.0 110.795 -169.406 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 4.4 p -81.22 -15.47 55.55 Favored 'General case' 0 N--CA 1.448 -0.542 0 C-N-CA 123.727 0.811 . . . . 0.0 111.141 169.973 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -83.17 162.57 21.22 Favored 'General case' 0 N--CA 1.447 -0.582 0 CA-C-O 122.418 1.104 . . . . 0.0 113.308 -169.643 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 1.2 mptp? -145.27 -44.11 0.22 Allowed 'General case' 0 N--CA 1.45 -0.458 0 CA-C-N 113.193 -1.821 . . . . 0.0 109.528 176.209 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 44.9 mt-10 -39.88 105.11 0.04 OUTLIER 'General case' 0 C--N 1.343 0.295 0 C-N-CA 125.733 1.613 . . . . 0.0 109.738 -176.181 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 22.4 t -51.55 -47.55 63.38 Favored 'General case' 0 C--O 1.22 -0.458 0 O-C-N 123.67 0.607 . . . . 0.0 110.655 -169.076 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -54.21 -37.78 64.94 Favored 'General case' 0 CA--C 1.535 0.38 0 N-CA-C 113.452 0.908 . . . . 0.0 113.452 -179.961 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -75.74 -51.35 12.87 Favored 'General case' 0 CA--C 1.531 0.237 0 CA-C-N 119.052 0.842 . . . . 0.0 109.707 176.553 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 33' ' ' ILE . . . . . . . . . . . . . 6.5 mm -50.81 -34.93 13.6 Favored 'Isoleucine or valine' 0 CA--C 1.545 0.75 0 C-N-CA 125.251 1.42 . . . . 0.0 111.91 178.024 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 84.0 m-20 -73.85 -31.86 63.39 Favored 'General case' 0 C--N 1.331 -0.221 0 C-N-CA 124.769 1.227 . . . . 0.0 110.659 179.728 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 43.8 mt-30 -70.75 -39.28 73.38 Favored 'General case' 0 CA--C 1.533 0.315 0 O-C-N 121.865 -0.522 . . . . 0.0 109.751 170.564 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 6.3 mt -51.51 -53.65 15.28 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.381 0 N-CA-C 108.765 -0.828 . . . . 0.0 108.765 169.507 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 10.1 mt -58.53 -41.54 85.76 Favored 'General case' 0 CA--C 1.534 0.34 0 O-C-N 121.8 -0.563 . . . . 0.0 111.413 178.528 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -48.46 -52.27 19.62 Favored Glycine 0 CA--C 1.529 0.914 0 C-N-CA 123.786 0.707 . . . . 0.0 111.435 171.492 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -58.33 -54.8 42.87 Favored 'General case' 0 N--CA 1.447 -0.583 0 O-C-N 121.568 -0.96 . . . . 0.0 110.14 173.315 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 79.9 mtt180 -60.83 -23.91 65.46 Favored 'General case' 0 C--O 1.232 0.138 0 O-C-N 122.026 -0.421 . . . . 0.0 111.73 -169.957 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 41' ' ' TRP . . . . . . . . . . . . . 65.1 t-105 -48.28 -41.93 29.35 Favored 'General case' 0 N--CA 1.451 -0.416 0 CA-C-N 118.569 0.622 . . . . 0.0 111.288 171.297 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 42' ' ' HIS . . . . . . . . . . . . . 71.6 m80 -61.09 -19.96 62.06 Favored 'General case' 0 CA--C 1.532 0.267 0 C-N-CA 123.846 0.858 . . . . 0.0 112.34 -175.465 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -78.99 -20.04 50.1 Favored 'General case' 0 CA--C 1.534 0.36 0 C-N-CA 122.55 0.34 . . . . 0.0 111.585 176.67 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 28.1 mt -66.77 125.73 26.79 Favored 'General case' 0 C--O 1.235 0.309 0 CA-C-N 118.885 0.766 . . . . 0.0 110.498 -179.597 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 86.1 p -59.03 154.8 14.82 Favored 'General case' 0 CA--C 1.531 0.235 0 N-CA-C 108.103 -1.073 . . . . 0.0 108.103 168.809 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -54.4 -33.12 58.71 Favored 'General case' 0 CA--C 1.537 0.445 0 O-C-N 121.816 -0.553 . . . . 0.0 110.994 -177.611 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 2.4 mp0 -63.56 -52.53 60.64 Favored 'General case' 0 CA--C 1.532 0.267 0 C-N-CA 123.883 0.873 . . . . 0.0 110.934 174.26 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 37.2 mt-10 -56.4 -42.87 78.68 Favored 'General case' 0 C--O 1.224 -0.244 0 N-CA-C 110.275 -0.268 . . . . 0.0 110.275 176.063 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 74.9 mt-30 -55.24 -59.88 4.17 Favored 'General case' 0 N--CA 1.454 -0.233 0 N-CA-C 109.19 -0.671 . . . . 0.0 109.19 174.158 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -47.36 -43.19 22.96 Favored 'General case' 0 CA--C 1.533 0.307 0 C-N-CA 123.96 0.904 . . . . 0.0 112.21 -178.865 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 10.0 pttt -46.56 -41.88 15.04 Favored 'General case' 0 CA--C 1.534 0.355 0 C-N-CA 122.744 0.418 . . . . 0.0 111.554 176.948 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 52' ' ' TYR . . . . . 0.424 ' HB3' ' CB ' ' A' ' 9' ' ' ALA . 44.6 m-85 -63.74 -34.02 76.96 Favored 'General case' 0 CA--C 1.517 -0.327 0 N-CA-C 112.911 0.708 . . . . 0.0 112.911 -179.127 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 53' ' ' TYR . . . . . . . . . . . . . 29.8 m-85 -72.25 -42.86 65.17 Favored 'General case' 0 N--CA 1.449 -0.482 0 N-CA-C 107.073 -1.454 . . . . 0.0 107.073 -176.475 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 42.2 mt-10 -53.79 -61.33 2.37 Favored 'General case' 0 CA--C 1.534 0.352 0 CA-C-N 116.372 -0.376 . . . . 0.0 110.009 169.91 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 5.2 mp -45.99 -54.19 8.78 Favored 'General case' 0 C--O 1.225 -0.22 0 C-N-CA 124.263 1.025 . . . . 0.0 112.891 176.542 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.534 0.331 0 CA-C-O 121.12 0.486 . . . . 0.0 109.774 179.039 . . . . . . . . 0 0 . 1 . 011 nuclear nobuild core ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 4.6 p30 . . . . . 0 N--CA 1.443 -0.794 0 CA-C-O 122.453 1.12 . . . . 0.0 111.691 . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild core ' A' A ' 9' ' ' ALA . . . . . 0.439 ' CB ' ' HB3' ' A' ' 52' ' ' TYR . . . -38.53 -62.91 0.55 Allowed 'General case' 0 N--CA 1.445 -0.681 0 C-N-CA 126.784 2.034 . . . . 0.0 113.567 -179.624 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 10' ' ' PHE . . . . . . . . . . . . . 5.6 m-85 -70.85 -27.07 63.57 Favored 'General case' 0 N--CA 1.452 -0.345 0 O-C-N 121.599 -0.688 . . . . 0.0 110.952 -170.219 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 11' ' ' MET . . . . . . . . . . . . . 69.7 mmm -66.24 -44.67 83.1 Favored 'General case' 0 N--CA 1.452 -0.343 0 N-CA-C 108.643 -0.873 . . . . 0.0 108.643 177.816 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 64.2 mt -61.96 -45.15 94.93 Favored 'General case' 0 C--N 1.334 -0.083 0 O-C-N 121.794 -0.566 . . . . 0.0 110.126 174.177 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 12.8 t80 -54.23 -44.95 72.17 Favored 'General case' 0 CA--C 1.53 0.201 0 C-N-CA 120.512 -0.475 . . . . 0.0 109.921 178.64 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 14' ' ' MET . . . . . . . . . . . . . 24.5 ttm -54.87 -60.38 3.44 Favored 'General case' 0 N--CA 1.451 -0.39 0 C-N-CA 123.318 0.647 . . . . 0.0 110.288 171.469 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 4.9 mtpm? -48.96 -43.94 40.31 Favored 'General case' 0 CA--C 1.534 0.345 0 CA-C-N 119.183 0.901 . . . . 0.0 111.701 -176.715 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 48.2 mt-10 -68.4 -63.62 1.02 Allowed 'General case' 0 CA--C 1.536 0.409 0 C-N-CA 123.017 0.527 . . . . 0.0 111.811 179.498 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 17' ' ' MET . . . . . . . . . . . . . 8.9 mtp -83.29 -28.44 29.11 Favored 'General case' 0 C--O 1.226 -0.132 0 N-CA-C 114.584 1.327 . . . . 0.0 114.584 -169.072 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 18' ' ' ARG . . . . . 0.402 ' HG2' ' CG2' ' A' ' 33' ' ' ILE . 7.1 tmm_? -57.71 -41.96 82.82 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 118.978 0.808 . . . . 0.0 111.747 -169.944 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -54.71 -47.82 73.24 Favored 'General case' 0 CA--C 1.533 0.296 0 O-C-N 122.054 -0.403 . . . . 0.0 110.557 172.505 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 20' ' ' ASN . . . . . . . . . . . . . 1.7 t30 -58.21 -50.47 73.43 Favored 'General case' 0 C--O 1.222 -0.358 0 N-CA-C 109.505 -0.554 . . . . 0.0 109.505 175.655 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 74.3 t -51.67 -52.81 19.55 Favored 'Isoleucine or valine' 0 C--N 1.334 -0.101 0 CA-C-N 119.04 0.837 . . . . 0.0 110.572 178.975 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 55.2 t -58.77 -36.75 62.32 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.473 0 C-N-CA 122.883 0.473 . . . . 0.0 110.501 -178.882 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -67.32 -47.56 70.16 Favored 'General case' 0 CA--C 1.539 0.546 0 N-CA-C 112.524 0.565 . . . . 0.0 112.524 173.278 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 32.6 mt-10 -68.71 -52.32 32.02 Favored 'General case' 0 CA--C 1.53 0.194 0 C-N-CA 123.396 0.679 . . . . 0.0 111.397 -174.887 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 55.9 p -89.49 177.05 6.66 Favored 'General case' 0 N--CA 1.451 -0.418 0 C-N-CA 124.086 0.954 . . . . 0.0 110.974 -169.594 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 3.7 p -81.4 -12.24 59.02 Favored 'General case' 0 N--CA 1.445 -0.682 0 C-N-CA 123.754 0.822 . . . . 0.0 110.989 169.731 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 4.1 mm? -82.75 153.23 25.38 Favored 'General case' 0 N--CA 1.447 -0.597 0 CA-C-N 119.247 0.93 . . . . 0.0 113.171 -169.857 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 2.0 mptp? -139.79 -32.22 0.64 Allowed 'General case' 0 CA--C 1.532 0.262 0 CA-C-N 113.67 -1.604 . . . . 0.0 110.711 168.086 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 2.8 mp0 -52.67 112.14 0.78 Allowed 'General case' 0 N--CA 1.451 -0.413 0 C-N-CA 125.259 1.424 . . . . 0.0 107.946 -173.687 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 9.4 t -56.81 -34.54 67.79 Favored 'General case' 0 N--CA 1.445 -0.72 0 N-CA-C 113.498 0.925 . . . . 0.0 113.498 -168.075 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -65.39 -39.63 92.48 Favored 'General case' 0 CA--C 1.534 0.331 0 CA-C-N 120.143 1.338 . . . . 0.0 112.551 177.446 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -69.06 -48.16 63.47 Favored 'General case' 0 C--N 1.335 -0.047 0 O-C-N 121.399 -0.813 . . . . 0.0 108.91 176.221 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 33' ' ' ILE . . . . . 0.402 ' CG2' ' HG2' ' A' ' 18' ' ' ARG . 8.1 mm -56.65 -41.17 73.43 Favored 'Isoleucine or valine' 0 CA--C 1.542 0.654 0 C-N-CA 124.091 0.956 . . . . 0.0 111.236 178.881 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 3.2 m-80 -56.02 -48.03 76.71 Favored 'General case' 0 N--CA 1.463 0.199 0 O-C-N 120.825 -1.172 . . . . 0.0 111.137 172.22 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 36.8 mt-30 -62.87 -36.6 83.82 Favored 'General case' 0 CA--C 1.533 0.311 0 C-N-CA 120.235 -0.586 . . . . 0.0 110.743 176.133 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 42.0 mt -56.29 -50.36 71.93 Favored 'Isoleucine or valine' 0 CA--C 1.537 0.449 0 CA-C-N 118.714 0.688 . . . . 0.0 110.542 170.641 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 4.1 mm? -53.07 -47.03 68.81 Favored 'General case' 0 CA--C 1.537 0.464 0 CA-C-N 120.068 1.304 . . . . 0.0 110.105 172.715 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -49.54 -51.07 28.77 Favored Glycine 0 CA--C 1.532 1.137 0 C-N-CA 123.938 0.78 . . . . 0.0 112.055 176.148 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 1.6 tmt_? -56.43 -62.77 1.49 Allowed 'General case' 0 N--CA 1.449 -0.481 0 O-C-N 121.836 -0.802 . . . . 0.0 109.168 173.34 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 57.3 mtt180 -56.85 -24.28 50.22 Favored 'General case' 0 N--CA 1.456 -0.141 0 C-N-CA 123.766 0.827 . . . . 0.0 112.283 -171.737 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 41' ' ' TRP . . . . . . . . . . . . . 64.1 t-105 -49.49 -40.45 37.41 Favored 'General case' 0 N--CA 1.454 -0.264 0 CA-C-N 118.845 0.748 . . . . 0.0 111.174 172.865 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 42' ' ' HIS . . . . . . . . . . . . . 71.0 m80 -60.7 -19.63 59.1 Favored 'General case' 0 N--CA 1.453 -0.284 0 C-N-CA 123.702 0.801 . . . . 0.0 112.587 -176.974 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -79.25 -18.41 52.85 Favored 'General case' 0 CA--C 1.534 0.362 0 CA-C-N 118.072 0.396 . . . . 0.0 111.5 177.182 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 31.0 mt -70.54 124.82 25.15 Favored 'General case' 0 N--CA 1.453 -0.294 0 CA-C-N 118.662 0.664 . . . . 0.0 110.362 -179.628 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 78.6 p -56.96 160.86 3.29 Favored 'General case' 0 CA--C 1.531 0.237 0 N-CA-C 109.53 -0.544 . . . . 0.0 109.53 169.139 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 61.9 ttp85 -45.68 -44.87 13.82 Favored 'General case' 0 CA--C 1.536 0.425 0 C-N-CA 123.147 0.579 . . . . 0.0 110.773 173.883 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 58.4 mp0 -65.46 -50.82 63.94 Favored 'General case' 0 N--CA 1.45 -0.442 0 C-N-CA 123.766 0.827 . . . . 0.0 111.126 179.989 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 33.0 mt-10 -55.97 -43.17 77.31 Favored 'General case' 0 CA--C 1.529 0.149 0 C-N-CA 120.889 -0.324 . . . . 0.0 110.801 176.715 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 75.1 mt-30 -56.77 -59.79 4.5 Favored 'General case' 0 N--CA 1.454 -0.225 0 N-CA-C 108.917 -0.771 . . . . 0.0 108.917 174.17 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -47.65 -42.93 25.65 Favored 'General case' 0 CA--C 1.531 0.227 0 C-N-CA 123.754 0.821 . . . . 0.0 112.042 -178.149 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 9.8 pttt -45.77 -43.06 12.78 Favored 'General case' 0 CA--C 1.533 0.316 0 C-N-CA 123.03 0.532 . . . . 0.0 111.241 177.158 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 52' ' ' TYR . . . . . 0.439 ' HB3' ' CB ' ' A' ' 9' ' ' ALA . 40.9 m-85 -62.31 -35.02 77.76 Favored 'General case' 0 N--CA 1.454 -0.272 0 N-CA-C 112.801 0.667 . . . . 0.0 112.801 -178.348 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 53' ' ' TYR . . . . . . . . . . . . . 30.6 m-85 -70.74 -36.95 73.4 Favored 'General case' 0 N--CA 1.451 -0.399 0 N-CA-C 107.77 -1.196 . . . . 0.0 107.77 -176.002 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 33.5 mm-40 -62.44 -59.08 5.48 Favored 'General case' 0 CA--C 1.533 0.314 0 N-CA-C 109.903 -0.406 . . . . 0.0 109.903 169.71 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 6.4 mp -45.16 -50.14 11.57 Favored 'General case' 0 C--O 1.226 -0.182 0 C-N-CA 124.095 0.958 . . . . 0.0 113.251 177.017 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.536 0.429 0 CA-C-O 121.24 0.543 . . . . 0.0 110.017 176.752 . . . . . . . . 0 0 . 1 . 012 nuclear nobuild core ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 6.3 p30 . . . . . 0 N--CA 1.449 -0.515 0 CA-C-O 122.074 0.94 . . . . 0.0 111.958 . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild core ' A' A ' 9' ' ' ALA . . . . . 0.431 ' CB ' ' HB3' ' A' ' 52' ' ' TYR . . . -38.88 -64.1 0.47 Allowed 'General case' 0 N--CA 1.448 -0.571 0 C-N-CA 126.846 2.058 . . . . 0.0 114.063 178.601 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 10' ' ' PHE . . . . . . . . . . . . . 5.5 m-85 -69.74 -26.37 64.29 Favored 'General case' 0 N--CA 1.455 -0.224 0 O-C-N 121.499 -0.751 . . . . 0.0 111.11 -169.635 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 11' ' ' MET . . . . . . . . . . . . . 43.5 mmm -62.88 -46.67 86.79 Favored 'General case' 0 N--CA 1.453 -0.286 0 N-CA-C 108.317 -0.994 . . . . 0.0 108.317 176.346 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 47.4 mt -63.93 -43.77 94.89 Favored 'General case' 0 C--N 1.332 -0.185 0 O-C-N 121.98 -0.45 . . . . 0.0 109.849 176.798 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 14.8 t80 -54.46 -45.07 73.04 Favored 'General case' 0 C--N 1.34 0.179 0 N-CA-C 109.603 -0.517 . . . . 0.0 109.603 178.734 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 14' ' ' MET . . . . . . . . . . . . . 20.1 ttm -56.17 -61.55 2.31 Favored 'General case' 0 N--CA 1.446 -0.644 0 CA-C-O 118.605 -0.712 . . . . 0.0 109.981 172.653 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 5.3 mtpm? -47.34 -41.29 19.17 Favored 'General case' 0 CA--C 1.535 0.4 0 CA-C-N 119.402 1.001 . . . . 0.0 111.96 -177.179 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 46.9 mt-10 -71.88 -69.6 0.38 Allowed 'General case' 0 CA--C 1.538 0.497 0 C-N-CA 123.106 0.562 . . . . 0.0 112.34 177.832 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 17' ' ' MET . . . . . . . . . . . . . 7.6 mtp -79.9 -26.97 40.03 Favored 'General case' 0 CA--C 1.523 -0.069 0 N-CA-C 114.581 1.326 . . . . 0.0 114.581 -169.047 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 6.8 tmm_? -58.91 -41.87 88.29 Favored 'General case' 0 C--N 1.327 -0.396 0 O-C-N 121.304 -0.873 . . . . 0.0 111.186 -171.774 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -51.79 -47.89 64.04 Favored 'General case' 0 CA--C 1.533 0.288 0 O-C-N 122.137 -0.352 . . . . 0.0 110.452 172.598 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 20' ' ' ASN . . . . . . . . . . . . . 4.4 t30 -59.63 -51.07 71.37 Favored 'General case' 0 C--O 1.224 -0.271 0 CA-C-O 119.111 -0.471 . . . . 0.0 109.874 176.023 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 73.2 t -50.64 -51.12 20.53 Favored 'Isoleucine or valine' 0 N--CA 1.461 0.114 0 CA-C-N 118.968 0.803 . . . . 0.0 110.859 178.152 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 46.9 t -61.89 -36.87 76.4 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.398 0 C-N-CA 122.82 0.448 . . . . 0.0 109.932 -177.703 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -65.26 -46.66 79.62 Favored 'General case' 0 CA--C 1.539 0.525 0 O-C-N 121.871 -0.518 . . . . 0.0 112.185 173.347 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 27.6 mt-10 -69.18 -52.76 24.73 Favored 'General case' 0 CA--C 1.531 0.226 0 CA-C-O 121.112 0.482 . . . . 0.0 111.484 -176.219 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 54.5 p -85.35 175.32 8.96 Favored 'General case' 0 N--CA 1.453 -0.32 0 C-N-CA 124.139 0.975 . . . . 0.0 110.774 -169.921 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 4.9 p -83.91 -10.84 57.68 Favored 'General case' 0 N--CA 1.45 -0.444 0 C-N-CA 123.892 0.877 . . . . 0.0 111.442 170.589 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -89.55 156.67 18.46 Favored 'General case' 0 N--CA 1.45 -0.463 0 CA-C-O 122.162 0.982 . . . . 0.0 113.007 -169.71 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 8.1 mptt -136.34 -44.62 0.62 Allowed 'General case' 0 N--CA 1.449 -0.483 0 CA-C-N 113.774 -1.557 . . . . 0.0 109.392 174.593 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 2.5 mp0 -39.25 104.9 0.04 OUTLIER 'General case' 0 C--O 1.237 0.404 0 C-N-CA 127.239 2.216 . . . . 0.0 109.658 -175.067 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 8.8 t -55.1 -37.86 67.38 Favored 'General case' 0 N--CA 1.448 -0.534 0 N-CA-C 112.962 0.727 . . . . 0.0 112.962 -168.044 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -63.43 -33.97 76.72 Favored 'General case' 0 CA--C 1.535 0.371 0 CA-C-N 119.503 1.047 . . . . 0.0 112.603 179.31 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -76.04 -49.46 17.49 Favored 'General case' 0 CA--C 1.531 0.233 0 CA-C-O 121.856 0.836 . . . . 0.0 109.416 175.478 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 33' ' ' ILE . . . . . . . . . . . . . 6.2 mm -54.34 -35.8 31.72 Favored 'Isoleucine or valine' 0 CA--C 1.547 0.839 0 C-N-CA 124.91 1.284 . . . . 0.0 111.574 177.828 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 3.4 m-80 -57.88 -44.95 87.02 Favored 'General case' 0 N--CA 1.462 0.156 0 C-N-CA 124.426 1.09 . . . . 0.0 112.089 169.818 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 42.5 mt-30 -68.03 -37.8 81.8 Favored 'General case' 0 N--CA 1.453 -0.315 0 O-C-N 121.808 -0.558 . . . . 0.0 109.881 178.298 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 21.7 mt -52.71 -53.36 21.07 Favored 'Isoleucine or valine' 0 C--N 1.341 0.237 0 N-CA-C 109.382 -0.599 . . . . 0.0 109.382 169.556 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 10.5 mt -57.28 -41.92 80.67 Favored 'General case' 0 CA--C 1.534 0.343 0 CA-C-N 118.983 0.81 . . . . 0.0 111.516 177.01 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -48.57 -51.25 22.92 Favored Glycine 0 CA--C 1.53 1.03 0 C-N-CA 123.955 0.788 . . . . 0.0 111.386 172.933 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 1.1 tmt_? -57.96 -62.81 1.54 Allowed 'General case' 0 N--CA 1.449 -0.5 0 O-C-N 121.901 -0.764 . . . . 0.0 109.68 171.993 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 81.5 mtt180 -57.63 -22.54 46.08 Favored 'General case' 0 C--O 1.231 0.122 0 C-N-CA 123.67 0.788 . . . . 0.0 112.78 -169.705 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 41' ' ' TRP . . . . . . . . . . . . . 65.6 t-105 -47.67 -42.11 23.99 Favored 'General case' 0 N--CA 1.452 -0.325 0 CA-C-N 118.866 0.757 . . . . 0.0 111.272 170.733 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 42' ' ' HIS . . . . . . . . . . . . . 74.2 m80 -60.98 -18.6 58.27 Favored 'General case' 0 N--CA 1.453 -0.289 0 C-N-CA 123.777 0.831 . . . . 0.0 112.734 -176.076 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -79.07 -18.47 53.35 Favored 'General case' 0 CA--C 1.534 0.335 0 CA-C-N 118.04 0.382 . . . . 0.0 111.578 176.718 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 36.1 mt -69.34 125.26 26.14 Favored 'General case' 0 N--CA 1.453 -0.28 0 CA-C-N 118.658 0.663 . . . . 0.0 110.472 -179.803 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 82.4 p -57.6 160.59 4.19 Favored 'General case' 0 CA--C 1.532 0.253 0 N-CA-C 109.455 -0.572 . . . . 0.0 109.455 169.349 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 41.8 ttm180 -48.87 -41.79 34.51 Favored 'General case' 0 CA--C 1.534 0.364 0 O-C-N 122.023 -0.423 . . . . 0.0 110.801 175.878 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 2.5 mp0 -63.42 -52.32 62.06 Favored 'General case' 0 N--CA 1.453 -0.308 0 C-N-CA 123.986 0.914 . . . . 0.0 111.033 178.387 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 34.2 mt-10 -56.59 -43.41 80.07 Favored 'General case' 0 CA--C 1.529 0.142 0 CA-C-O 119.641 -0.219 . . . . 0.0 110.668 177.361 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 73.7 mt-30 -56.72 -58.82 6.46 Favored 'General case' 0 N--CA 1.454 -0.256 0 N-CA-C 109.058 -0.719 . . . . 0.0 109.058 174.369 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -46.94 -43.62 19.23 Favored 'General case' 0 C--O 1.235 0.335 0 C-N-CA 124.064 0.946 . . . . 0.0 112.063 -179.119 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 8.1 pttt -46.48 -42.17 15.1 Favored 'General case' 0 CA--C 1.532 0.285 0 C-N-CA 123.254 0.622 . . . . 0.0 111.327 176.514 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 52' ' ' TYR . . . . . 0.431 ' HB3' ' CB ' ' A' ' 9' ' ' ALA . 44.0 m-85 -65.34 -34.78 79.13 Favored 'General case' 0 CA--C 1.515 -0.398 0 O-C-N 121.471 -0.768 . . . . 0.0 112.931 -179.63 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 53' ' ' TYR . . . . . . . . . . . . . 48.0 m-85 -72.98 -40.17 65.51 Favored 'General case' 0 N--CA 1.45 -0.427 0 N-CA-C 107.469 -1.308 . . . . 0.0 107.469 -177.928 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 80.3 mm-40 -54.12 -62.39 1.68 Allowed 'General case' 0 CA--C 1.536 0.411 0 N-CA-C 109.327 -0.62 . . . . 0.0 109.327 169.591 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 5.3 mp -47.94 -51.57 22.99 Favored 'General case' 0 C--O 1.226 -0.181 0 C-N-CA 124.49 1.116 . . . . 0.0 113.456 178.048 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.298 0 N-CA-C 109.497 -0.557 . . . . 0.0 109.497 177.89 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 26.9 ptt? . . . . . 0 N--CA 1.451 -0.381 0 N-CA-C 108.428 -0.953 . . . . 0.0 108.428 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 2' ' ' HIS . . . . . . . . . . . . . 98.4 m-70 -70.56 85.44 0.62 Allowed 'General case' 0 N--CA 1.452 -0.331 0 N-CA-C 109.158 -0.682 . . . . 0.0 109.158 169.795 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . 57.5 mt -77.79 101.08 3.35 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.319 0 N-CA-C 106.27 -1.752 . . . . 0.0 106.27 -179.383 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -45.75 152.66 0.33 Allowed 'General case' 0 N--CA 1.452 -0.36 0 C-N-CA 127.116 2.166 . . . . 0.0 111.475 -178.515 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 11.0 mptt -55.99 147.0 46.37 Favored Pre-proline 0 CA--C 1.537 0.446 0 N-CA-C 108.64 -0.874 . . . . 0.0 108.64 171.929 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 61.0 Cg_endo -66.85 96.26 0.37 Allowed 'Trans proline' 0 N--CA 1.45 -1.069 0 C-N-CA 121.94 1.76 . . . . 0.0 109.628 171.941 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 9.7 mp -39.12 143.19 0.18 Allowed 'General case' 0 N--CA 1.465 0.324 0 C-N-CA 126.806 2.042 . . . . 0.0 112.428 176.715 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 6.1 p30 -98.87 179.34 4.67 Favored 'General case' 0 N--CA 1.449 -0.5 0 C-N-CA 124.535 1.134 . . . . 0.0 111.159 177.558 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 9' ' ' ALA . . . . . 0.4 ' HB1' ' HB3' ' A' ' 52' ' ' TYR . . . -38.95 -63.39 0.53 Allowed 'General case' 0 N--CA 1.45 -0.431 0 C-N-CA 126.789 2.035 . . . . 0.0 113.683 -178.89 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 10' ' ' PHE . . . . . . . . . . . . . 5.3 m-85 -68.3 -23.54 64.75 Favored 'General case' 0 N--CA 1.455 -0.223 0 O-C-N 121.487 -0.758 . . . . 0.0 111.333 -169.507 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 11' ' ' MET . . . . . . . . . . . . . 58.2 mmm -69.29 -38.57 78.38 Favored 'General case' 0 N--CA 1.451 -0.377 0 N-CA-C 109.16 -0.682 . . . . 0.0 109.16 179.209 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 70.1 mt -68.31 -44.08 76.22 Favored 'General case' 0 CA--C 1.519 -0.239 0 O-C-N 121.762 -0.586 . . . . 0.0 110.031 172.515 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 12.1 t80 -55.46 -44.57 76.53 Favored 'General case' 0 C--N 1.339 0.125 0 C-N-CA 119.858 -0.737 . . . . 0.0 109.815 179.346 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 14' ' ' MET . . . . . . . . . . . . . 32.5 ttm -54.2 -62.74 1.46 Allowed 'General case' 0 N--CA 1.449 -0.489 0 C-N-CA 123.494 0.718 . . . . 0.0 110.144 169.909 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 15.9 mmtt -45.1 -43.5 9.72 Favored 'General case' 0 CA--C 1.537 0.451 0 CA-C-N 118.728 0.695 . . . . 0.0 112.173 -177.511 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 47.1 mt-10 -71.44 -66.09 0.67 Allowed 'General case' 0 CA--C 1.538 0.494 0 C-N-CA 123.343 0.657 . . . . 0.0 112.061 178.182 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 17' ' ' MET . . . . . . . . . . . . . 6.5 mtp -79.83 -32.18 40.59 Favored 'General case' 0 C--O 1.226 -0.149 0 N-CA-C 114.1 1.148 . . . . 0.0 114.1 -169.013 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 7.1 tmm_? -54.95 -43.21 73.2 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 118.829 0.74 . . . . 0.0 111.139 -172.916 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -52.8 -49.43 65.64 Favored 'General case' 0 CA--C 1.534 0.329 0 O-C-N 122.054 -0.404 . . . . 0.0 110.704 173.078 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 20' ' ' ASN . . . . . . . . . . . . . 2.7 t30 -59.94 -48.51 81.39 Favored 'General case' 0 C--O 1.224 -0.272 0 C-N-CA 122.608 0.363 . . . . 0.0 110.08 176.902 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 70.5 t -52.71 -51.45 35.53 Favored 'Isoleucine or valine' 0 C--N 1.333 -0.112 0 CA-C-N 118.776 0.716 . . . . 0.0 110.328 177.493 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 44.8 t -63.05 -38.0 80.87 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.374 0 C-N-CA 122.892 0.477 . . . . 0.0 110.184 -177.098 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -65.29 -45.39 84.58 Favored 'General case' 0 CA--C 1.536 0.424 0 O-C-N 121.958 -0.464 . . . . 0.0 111.911 175.062 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 25.6 mm-40 -73.5 -53.44 10.6 Favored 'General case' 0 CA--C 1.531 0.221 0 C-N-CA 124.205 1.002 . . . . 0.0 111.307 -173.724 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 51.4 p -82.87 177.52 8.61 Favored 'General case' 0 N--CA 1.452 -0.353 0 C-N-CA 123.804 0.842 . . . . 0.0 110.651 -172.498 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 5.0 p -84.09 -10.46 57.8 Favored 'General case' 0 N--CA 1.448 -0.54 0 C-N-CA 123.912 0.885 . . . . 0.0 111.538 170.417 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -90.23 155.94 18.65 Favored 'General case' 0 N--CA 1.451 -0.409 0 CA-C-O 122.196 0.998 . . . . 0.0 112.989 -169.722 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 7.9 mptt -137.08 -42.39 0.57 Allowed 'General case' 0 N--CA 1.45 -0.461 0 CA-C-N 113.683 -1.599 . . . . 0.0 109.14 173.966 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 2.8 mp0 -39.26 106.29 0.05 Allowed 'General case' 0 C--O 1.235 0.335 0 C-N-CA 127.331 2.252 . . . . 0.0 110.125 -177.253 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 10.8 t -53.58 -47.6 69.98 Favored 'General case' 0 C--O 1.22 -0.47 0 CA-C-N 116.116 -0.493 . . . . 0.0 112.006 -168.625 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -56.8 -38.48 72.61 Favored 'General case' 0 CA--C 1.535 0.369 0 CA-C-N 119.985 1.266 . . . . 0.0 113.161 -178.3 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -71.07 -50.94 28.44 Favored 'General case' 0 CA--C 1.531 0.219 0 CA-C-O 121.798 0.809 . . . . 0.0 109.498 175.642 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 33' ' ' ILE . . . . . . . . . . . . . 6.7 mm -53.33 -34.94 23.37 Favored 'Isoleucine or valine' 0 CA--C 1.546 0.792 0 C-N-CA 124.814 1.246 . . . . 0.0 112.059 178.847 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 82.3 m-20 -74.98 -36.11 62.03 Favored 'General case' 0 C--N 1.329 -0.286 0 O-C-N 120.568 -1.332 . . . . 0.0 109.8 -179.075 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 39.1 mt-30 -64.5 -37.88 89.07 Favored 'General case' 0 CA--C 1.533 0.292 0 O-C-N 121.708 -0.62 . . . . 0.0 109.351 169.278 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 22.0 mt -55.01 -49.88 67.69 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.327 0 CA-C-O 117.979 -1.01 . . . . 0.0 109.651 169.522 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 4.5 mm? -53.07 -45.16 68.01 Favored 'General case' 0 N--CA 1.469 0.49 0 CA-C-N 120.682 1.583 . . . . 0.0 110.566 174.5 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -47.62 -54.94 10.05 Favored Glycine 0 CA--C 1.533 1.172 0 C-N-CA 123.699 0.666 . . . . 0.0 112.036 172.361 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -55.58 -52.82 62.46 Favored 'General case' 0 N--CA 1.45 -0.435 0 O-C-N 121.441 -1.035 . . . . 0.0 110.257 174.261 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 4.8 mmp_? -59.29 -28.56 66.87 Favored 'General case' 0 N--CA 1.454 -0.272 0 C-N-CA 123.513 0.725 . . . . 0.0 110.208 -171.821 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 41' ' ' TRP . . . . . . . . . . . . . 56.7 t-105 -52.51 -38.52 59.76 Favored 'General case' 0 N--CA 1.452 -0.335 0 O-C-N 121.897 -0.502 . . . . 0.0 111.224 175.312 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 42' ' ' HIS . . . . . . . . . . . . . 51.7 m80 -61.3 -19.69 62.06 Favored 'General case' 0 N--CA 1.453 -0.292 0 C-N-CA 123.649 0.78 . . . . 0.0 112.076 -177.189 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -79.44 -19.16 50.6 Favored 'General case' 0 CA--C 1.534 0.364 0 C-N-CA 122.701 0.4 . . . . 0.0 112.043 176.486 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 26.8 mt -73.96 122.35 22.45 Favored 'General case' 0 N--CA 1.454 -0.255 0 CA-C-N 118.796 0.725 . . . . 0.0 111.077 -174.787 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 79.4 p -59.1 158.93 7.97 Favored 'General case' 0 CA--C 1.532 0.265 0 N-CA-C 109.047 -0.723 . . . . 0.0 109.047 168.99 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 41.6 ptt180 -50.75 -36.85 38.72 Favored 'General case' 0 CA--C 1.536 0.411 0 O-C-N 121.787 -0.57 . . . . 0.0 111.797 179.141 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 59.1 mp0 -67.0 -49.94 63.78 Favored 'General case' 0 N--CA 1.453 -0.322 0 C-N-CA 123.292 0.637 . . . . 0.0 110.756 177.559 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 36.8 mt-10 -56.2 -43.2 78.24 Favored 'General case' 0 C--O 1.227 -0.124 0 O-C-N 122.256 -0.277 . . . . 0.0 110.458 175.694 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 73.3 mt-30 -56.65 -59.2 5.36 Favored 'General case' 0 N--CA 1.455 -0.197 0 N-CA-C 109.094 -0.706 . . . . 0.0 109.094 174.334 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -46.93 -43.61 19.17 Favored 'General case' 0 C--O 1.235 0.301 0 C-N-CA 123.734 0.813 . . . . 0.0 112.239 -179.439 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -47.59 -40.14 18.51 Favored 'General case' 0 CA--C 1.533 0.3 0 C-N-CA 122.948 0.499 . . . . 0.0 111.524 177.29 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 52' ' ' TYR . . . . . 0.4 ' HB3' ' HB1' ' A' ' 9' ' ' ALA . 38.6 m-85 -64.73 -35.4 80.95 Favored 'General case' 0 CA--C 1.514 -0.413 0 O-C-N 121.502 -0.748 . . . . 0.0 112.904 179.505 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 53' ' ' TYR . . . . . . . . . . . . . 41.2 m-85 -72.0 -42.54 66.3 Favored 'General case' 0 N--CA 1.45 -0.44 0 N-CA-C 107.031 -1.47 . . . . 0.0 107.031 -176.515 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 43.1 mt-10 -53.84 -64.16 0.92 Allowed 'General case' 0 CA--C 1.536 0.41 0 C-N-CA 122.714 0.405 . . . . 0.0 110.253 170.045 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 4.6 mp -46.02 -52.52 11.71 Favored 'General case' 0 N--CA 1.462 0.15 0 C-N-CA 124.562 1.145 . . . . 0.0 113.092 176.585 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -50.13 -51.13 45.79 Favored 'General case' 0 N--CA 1.452 -0.369 0 N-CA-C 108.588 -0.893 . . . . 0.0 108.588 176.785 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 7.5 mmt-85 -64.16 -36.09 82.93 Favored 'General case' 0 CA--C 1.538 0.493 0 N-CA-C 112.075 0.398 . . . . 0.0 112.075 179.147 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 69.4 mmtt -57.72 -51.88 67.73 Favored 'General case' 0 N--CA 1.463 0.206 0 O-C-N 120.966 -1.084 . . . . 0.0 109.927 173.921 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 43.8 mm-40 -57.3 -40.55 78.06 Favored 'General case' 0 CA--C 1.533 0.302 0 CA-C-O 120.774 0.321 . . . . 0.0 110.99 176.287 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 60' ' ' ARG . . . . . . . . . . . . . 2.8 ttm-85 -58.77 -47.9 83.11 Favored 'General case' 0 C--O 1.235 0.313 0 C-N-CA 124.616 1.167 . . . . 0.0 109.484 -179.402 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 61' ' ' GLN . . . . . . . . . . . . . 31.3 mt-30 -65.13 -44.08 89.85 Favored 'General case' 0 N--CA 1.454 -0.229 0 C-N-CA 123.841 0.857 . . . . 0.0 110.555 175.973 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 37.6 tp -53.3 -54.56 34.64 Favored 'General case' 0 C--O 1.223 -0.293 0 CA-C-N 118.783 0.719 . . . . 0.0 109.102 176.133 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 63' ' ' HIS . . . . . . . . . . . . . 0.8 OUTLIER -42.08 -55.59 3.15 Favored 'General case' 0 CA--C 1.535 0.373 0 C-N-CA 124.322 1.049 . . . . 0.0 111.759 169.557 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 64' ' ' MET . . . . . . . . . . . . . 91.7 mmm -60.79 -31.27 70.65 Favored 'General case' 0 CA--C 1.537 0.45 0 N-CA-C 113.241 0.83 . . . . 0.0 113.241 178.3 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 65' ' ' GLN . . . . . . . . . . . . . 15.9 mt-30 -78.34 -53.04 7.72 Favored 'General case' 0 C--N 1.334 -0.095 0 O-C-N 121.222 -0.924 . . . . 0.0 109.129 -176.875 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 71.8 mt -58.17 -40.78 82.3 Favored 'General case' 0 N--CA 1.451 -0.392 0 C-N-CA 124.111 0.964 . . . . 0.0 110.483 176.755 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 67' ' ' TYR . . . . . . . . . . . . . 45.9 m-85 -136.05 83.17 34.52 Favored Pre-proline 0 CA--C 1.537 0.46 0 C-N-CA 123.524 0.73 . . . . 0.0 110.938 -175.59 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 68' ' ' PRO . . . . . . . . . . . . . 83.2 Cg_exo -46.09 103.92 0.06 OUTLIER 'Trans proline' 0 N--CA 1.457 -0.657 0 C-N-CA 124.735 3.623 . . . . 0.0 113.141 177.789 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . 71.52 25.23 75.66 Favored Glycine 0 C--N 1.335 0.521 0 CA-C-O 118.967 -0.907 . . . . 0.0 113.237 176.659 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 70' ' ' TRP . . . . . . . . . . . . . 62.5 t-105 -61.18 113.52 2.63 Favored 'General case' 0 N--CA 1.448 -0.542 0 C-N-CA 118.251 -1.379 . . . . 0.0 109.144 170.097 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 46.3 m -81.72 134.19 35.43 Favored 'General case' 0 N--CA 1.444 -0.746 0 N-CA-C 107.033 -1.469 . . . . 0.0 107.033 -179.523 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 72' ' ' ALA . . . . . 0.428 ' HB2' " H4'" ' B' ' 11' ' ' ' DA' . . . -39.86 -47.32 2.13 Favored 'General case' 0 C--N 1.329 -0.312 0 N-CA-C 117.637 2.458 . . . . 0.0 117.637 -168.77 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 73' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -55.67 73.55 0.0 OUTLIER 'General case' 0 CA--C 1.537 0.45 0 N-CA-C 116.077 1.88 . . . . 0.0 116.077 -170.416 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 74' ' ' ASP . . . . . . . . . . . . . 8.1 p-10 -90.18 -20.33 23.18 Favored 'General case' 0 N--CA 1.455 -0.219 0 C-N-CA 125.503 1.521 . . . . 0.0 111.41 172.158 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 75' ' ' ASN . . . . . . . . . . . . . 48.9 m-80 -152.59 20.93 0.62 Allowed 'General case' 0 CA--C 1.535 0.394 0 C-N-CA 124.381 1.072 . . . . 0.0 111.589 -178.756 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 76' ' ' TYR . . . . . . . . . . . . . 24.0 t80 -58.04 123.58 16.38 Favored 'General case' 0 CA--C 1.533 0.324 0 O-C-N 121.298 -0.876 . . . . 0.0 110.663 -173.856 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 69.78 21.82 76.67 Favored Glycine 0 CA--C 1.531 1.091 0 CA-C-O 118.718 -1.045 . . . . 0.0 114.037 -178.652 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 47.1 mmtm -89.45 -48.3 7.42 Favored 'General case' 0 N--CA 1.463 0.206 0 CA-C-N 119.341 1.57 . . . . 0.0 110.566 173.69 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 17.3 mttm -69.46 139.47 53.97 Favored 'General case' 0 CA--C 1.533 0.289 0 N-CA-C 106.966 -1.494 . . . . 0.0 106.966 168.913 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 66.9 mttm -61.25 -52.32 65.23 Favored 'General case' 0 CA--C 1.533 0.301 0 CA-C-N 118.054 0.388 . . . . 0.0 110.287 175.695 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 15.0 ttpp 71.14 143.36 0.06 Allowed 'General case' 0 CA--C 1.534 0.337 0 C-N-CA 126.75 2.02 . . . . 0.0 112.582 -177.392 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 82' ' ' ARG . . . . . 0.483 ' H ' ' CD ' ' A' ' 82' ' ' ARG . 0.0 OUTLIER -95.4 173.77 7.36 Favored 'General case' 0 CA--C 1.531 0.249 0 C-N-CA 125.519 1.527 . . . . 0.0 108.658 172.454 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . 3.6 mptp? 60.99 -59.67 0.09 Allowed 'General case' 0 CA--C 1.537 0.452 0 C-N-CA 128.694 2.798 . . . . 0.0 111.322 -174.08 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 84' ' ' ARG . . . . . . . . . . . . . 7.7 mtp-105 72.38 -73.96 0.09 Allowed 'General case' 0 N--CA 1.453 -0.296 0 C-N-CA 126.197 1.799 . . . . 0.0 110.48 168.958 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 37.8 mt-10 -81.4 64.65 6.21 Favored 'General case' 0 N--CA 1.451 -0.403 0 C-N-CA 123.745 0.818 . . . . 0.0 108.896 178.101 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 49.6 pttt . . . . . 0 CA--C 1.532 0.288 0 O-C-N 121.861 -0.524 . . . . 0.0 110.897 -174.444 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' B' B ' 1' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.531 2.493 2 O4'-C1'-N19 111.527 4.658 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 2' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.536 3.083 0 P-O3'-C3' 123.499 3.166 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' B' B ' 3' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.416 -2.723 0 P-O3'-C3' 123.271 2.976 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' B' B ' 4' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.409 -3.319 0 O4'-C4'-C3' 107.835 2.235 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' B' B ' 5' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.406 -3.666 0 P-O3'-C3' 122.591 2.409 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' B' B ' 6' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.406 -3.619 0 C5'-C4'-O4' 113.774 2.734 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' B' B ' 7' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.416 -2.716 0 C4'-C3'-C2' 100.157 -3.043 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' B' B ' 8' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.406 -3.665 0 C3'-C2'-C1' 106.645 2.818 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' B' B ' 9' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.413 -2.987 0 P-O3'-C3' 122.967 2.723 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' B' B ' 10' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.413 -3.035 0 P-O3'-C3' 123.315 3.013 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' B' B ' 11' ' ' ' DA' . . . . . 0.428 " H4'" ' HB2' ' A' ' 72' ' ' ALA . . . . . . . . 0 O4'--C4' 1.415 -2.779 2 O4'-C1'-N19 111.912 5.139 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 12' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.534 2.857 0 C4'-C3'-C2' 99.993 -3.207 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' B' B ' 13' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.416 -2.768 0 N19-C1'-C2' 109.137 -3.165 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' B' B ' 14' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.414 -2.899 0 O4'-C1'-N19 110.508 3.385 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' B' B ' 15' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.411 -3.189 0 O4'-C1'-N19 109.973 2.716 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' C' C ' 1' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.415 -2.783 1 O4'-C1'-N19 112.117 5.397 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' C' C ' 2' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.532 2.594 0 O4'-C1'-N19 110.197 2.996 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' C' C ' 3' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.415 -2.85 2 O4'-C1'-N19 115.324 9.405 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' C' C ' 4' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.534 2.88 0 O4'-C1'-N19 110.024 2.779 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' C' C ' 5' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.417 -2.625 0 P-O3'-C3' 122.624 2.437 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' C' C ' 6' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.415 -2.805 0 O4'-C1'-C2' 102.271 -3.481 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' C' C ' 7' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.408 -3.416 0 O4'-C4'-C3' 109.204 3.604 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' C' C ' 8' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.406 -3.651 0 C4'-C3'-C2' 99.202 -3.998 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' C' C ' 9' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.411 -3.182 0 C5'-C4'-C3' 110.904 -2.531 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' C' C ' 10' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.416 -2.697 1 O4'-C1'-N19 111.692 4.865 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' C' C ' 11' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.415 -2.832 0 O4'-C1'-C2' 103.393 -2.461 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' C' C ' 12' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.531 2.515 0 O3'-P-O5' 97.893 -3.214 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' C' C ' 13' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.416 -2.761 0 O4'-C1'-N19 110.671 3.589 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' C' C ' 14' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.413 -2.98 0 O4'-C1'-C2' 102.827 -2.976 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' C' C ' 15' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.417 -2.618 1 O4'-C1'-N19 111.217 4.272 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 89.0 mtp . . . . . 0 N--CA 1.451 -0.386 0 N-CA-C 108.357 -0.979 . . . . 0.0 108.357 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' 2' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER -124.85 113.17 17.53 Favored 'General case' 0 N--CA 1.454 -0.229 0 C-N-CA 124.267 1.027 . . . . 0.0 108.427 173.594 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . 10.9 mt -79.93 131.09 34.95 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.471 0 C-N-CA 123.915 0.886 . . . . 0.0 109.18 -178.965 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -69.63 121.52 17.29 Favored 'General case' 0 N--CA 1.448 -0.533 0 N-CA-C 109.035 -0.728 . . . . 0.0 109.035 173.446 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 1.7 mptm? -62.35 165.25 9.26 Favored Pre-proline 0 CA--C 1.534 0.348 0 C-N-CA 124.055 0.942 . . . . 0.0 110.976 179.828 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 74.0 Cg_exo -59.67 84.38 0.06 OUTLIER 'Trans proline' 0 N--CA 1.452 -0.936 0 C-N-CA 123.051 2.5 . . . . 0.0 110.34 168.065 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 9.3 mp -39.74 111.4 0.19 Allowed 'General case' 0 C--O 1.231 0.116 0 C-N-CA 124.842 1.257 . . . . 0.0 111.981 174.063 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 5.0 p30 -66.8 172.17 4.59 Favored 'General case' 0 N--CA 1.442 -0.852 0 CA-C-O 122.702 1.239 . . . . 0.0 111.316 175.494 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 9' ' ' ALA . . . . . 0.482 ' CB ' ' HB3' ' A' ' 52' ' ' TYR . . . -38.84 -56.89 1.3 Allowed 'General case' 0 N--CA 1.442 -0.86 0 C-N-CA 126.824 2.05 . . . . 0.0 113.425 -178.671 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 10' ' ' PHE . . . . . . . . . . . . . 5.0 m-85 -69.59 -26.43 64.45 Favored 'General case' 0 N--CA 1.451 -0.377 0 O-C-N 121.563 -0.711 . . . . 0.0 111.223 -171.253 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 11' ' ' MET . . . . . . . . . . . . . 56.8 mmm -69.84 -42.61 73.37 Favored 'General case' 0 N--CA 1.453 -0.28 0 N-CA-C 108.645 -0.872 . . . . 0.0 108.645 -179.98 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 45.4 mt -63.79 -44.54 93.04 Favored 'General case' 0 N--CA 1.456 -0.166 0 O-C-N 121.842 -0.536 . . . . 0.0 109.587 173.75 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 23.3 t80 -54.37 -46.44 73.03 Favored 'General case' 0 C--N 1.341 0.208 0 N-CA-C 109.549 -0.537 . . . . 0.0 109.549 178.903 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 14' ' ' MET . . . . . . . . . . . . . 31.6 ttm -53.85 -59.96 3.95 Favored 'General case' 0 N--CA 1.448 -0.542 0 C-N-CA 123.253 0.621 . . . . 0.0 110.3 171.33 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 31.6 mttt -48.36 -44.17 34.27 Favored 'General case' 0 CA--C 1.534 0.356 0 CA-C-N 119.205 0.911 . . . . 0.0 112.136 -177.549 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 45.4 mt-10 -69.35 -62.17 1.49 Allowed 'General case' 0 CA--C 1.536 0.432 0 C-N-CA 122.844 0.458 . . . . 0.0 111.883 179.578 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 17' ' ' MET . . . . . . . . . . . . . 6.6 mtp -84.7 -30.27 24.93 Favored 'General case' 0 C--O 1.226 -0.144 0 N-CA-C 114.628 1.344 . . . . 0.0 114.628 -169.08 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 7.1 tmm_? -56.92 -43.91 81.92 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-N 119.112 0.869 . . . . 0.0 111.466 -171.708 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -52.7 -47.25 67.37 Favored 'General case' 0 CA--C 1.534 0.339 0 O-C-N 121.74 -0.6 . . . . 0.0 110.603 172.848 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 20' ' ' ASN . . . . . . . . . . . . . 5.8 t30 -61.9 -45.98 91.39 Favored 'General case' 0 N--CA 1.453 -0.301 0 CA-C-O 119.545 -0.264 . . . . 0.0 110.476 177.503 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 72.5 t -53.79 -51.39 44.69 Favored 'Isoleucine or valine' 0 C--O 1.227 -0.088 0 CA-C-N 118.827 0.74 . . . . 0.0 110.481 175.677 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 51.0 t -60.73 -36.73 72.99 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.38 0 N-CA-C 109.701 -0.481 . . . . 0.0 109.701 -178.33 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -65.02 -46.68 80.33 Favored 'General case' 0 CA--C 1.539 0.532 0 O-C-N 121.879 -0.513 . . . . 0.0 112.267 172.93 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 60.7 mt-10 -66.14 -57.71 7.04 Favored 'General case' 0 CA--C 1.531 0.229 0 CA-C-O 121.632 0.729 . . . . 0.0 111.622 -177.742 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 53.2 p -83.97 173.14 11.42 Favored 'General case' 0 N--CA 1.448 -0.545 0 C-N-CA 125.109 1.364 . . . . 0.0 111.466 -168.695 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 9.6 p -81.73 -9.8 59.54 Favored 'General case' 0 N--CA 1.448 -0.531 0 C-N-CA 123.472 0.709 . . . . 0.0 111.13 169.777 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -87.21 159.43 18.84 Favored 'General case' 0 N--CA 1.45 -0.457 0 CA-C-O 122.535 1.16 . . . . 0.0 112.731 -170.041 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 8.4 mptt -142.07 -45.97 0.34 Allowed 'General case' 0 N--CA 1.447 -0.58 0 CA-C-N 113.176 -1.829 . . . . 0.0 108.783 176.066 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 46.7 mt-10 -39.65 103.97 0.03 OUTLIER 'General case' 0 C--N 1.344 0.353 0 C-N-CA 125.994 1.718 . . . . 0.0 109.68 -174.086 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 21.1 t -50.27 -47.14 55.46 Favored 'General case' 0 C--O 1.219 -0.514 0 O-C-N 123.977 0.798 . . . . 0.0 111.163 -168.852 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -52.02 -45.35 64.57 Favored 'General case' 0 CA--C 1.534 0.351 0 CA-C-N 119.022 0.828 . . . . 0.0 112.957 179.401 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -71.91 -48.69 43.75 Favored 'General case' 0 CA--C 1.533 0.326 0 CA-C-O 122.052 0.93 . . . . 0.0 109.615 179.288 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 33' ' ' ILE . . . . . . . . . . . . . 5.8 mm -51.2 -36.79 17.06 Favored 'Isoleucine or valine' 0 CA--C 1.543 0.697 0 C-N-CA 124.569 1.148 . . . . 0.0 111.542 176.841 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 82.1 m-20 -72.03 -30.95 65.7 Favored 'General case' 0 C--N 1.329 -0.294 0 O-C-N 120.589 -1.319 . . . . 0.0 110.362 -179.619 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 84.8 mt-30 -67.77 -39.71 84.1 Favored 'General case' 0 N--CA 1.454 -0.236 0 O-C-N 121.688 -0.633 . . . . 0.0 109.306 169.474 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 23.0 mt -54.36 -49.25 65.7 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.353 0 CA-C-O 118.606 -0.711 . . . . 0.0 110.095 170.117 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 4.3 mm? -54.31 -48.04 71.76 Favored 'General case' 0 CA--C 1.536 0.408 0 CA-C-N 119.965 1.257 . . . . 0.0 109.896 173.751 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -47.78 -50.28 20.52 Favored Glycine 0 CA--C 1.53 1.016 0 C-N-CA 123.467 0.556 . . . . 0.0 111.871 175.538 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -60.9 -56.87 16.01 Favored 'General case' 0 N--CA 1.446 -0.668 0 O-C-N 121.553 -0.969 . . . . 0.0 110.544 175.221 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 69.2 mtt180 -59.72 -30.13 68.6 Favored 'General case' 0 C--O 1.23 0.065 0 C-N-CA 122.767 0.427 . . . . 0.0 111.348 -169.418 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 41' ' ' TRP . . . . . . . . . . . . . 57.9 t-105 -44.18 -41.83 6.03 Favored 'General case' 0 N--CA 1.453 -0.313 0 C-N-CA 122.868 0.467 . . . . 0.0 112.04 171.004 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 42' ' ' HIS . . . . . . . . . . . . . 66.6 m80 -60.08 -20.35 57.7 Favored 'General case' 0 CA--C 1.534 0.328 0 C-N-CA 123.693 0.797 . . . . 0.0 112.618 -176.121 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -79.54 -18.78 51.09 Favored 'General case' 0 CA--C 1.535 0.379 0 C-N-CA 122.872 0.469 . . . . 0.0 112.068 176.373 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 37.7 mt -67.77 124.57 23.68 Favored 'General case' 0 CA--C 1.531 0.23 0 CA-C-N 118.958 0.799 . . . . 0.0 110.439 -178.206 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 80.3 p -57.51 159.97 4.54 Favored 'General case' 0 CA--C 1.531 0.227 0 N-CA-C 109.894 -0.41 . . . . 0.0 109.894 169.489 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 59.8 ttp180 -43.77 -46.4 7.65 Favored 'General case' 0 CA--C 1.533 0.326 0 C-N-CA 123.721 0.808 . . . . 0.0 110.992 173.02 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 49.5 mp0 -66.14 -48.93 69.21 Favored 'General case' 0 N--CA 1.452 -0.343 0 C-N-CA 123.59 0.756 . . . . 0.0 111.073 -178.681 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 35.2 mt-10 -56.02 -44.81 79.08 Favored 'General case' 0 C--O 1.226 -0.162 0 C-N-CA 120.858 -0.337 . . . . 0.0 110.526 175.764 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 71.6 mt-30 -56.98 -56.13 25.77 Favored 'General case' 0 N--CA 1.454 -0.235 0 N-CA-C 109.519 -0.549 . . . . 0.0 109.519 175.202 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -48.18 -44.16 32.36 Favored 'General case' 0 C--O 1.235 0.305 0 C-N-CA 123.471 0.708 . . . . 0.0 111.761 179.874 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -45.88 -44.02 14.13 Favored 'General case' 0 CA--C 1.53 0.206 0 C-N-CA 123.089 0.556 . . . . 0.0 111.07 176.306 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 52' ' ' TYR . . . . . 0.482 ' HB3' ' CB ' ' A' ' 9' ' ' ALA . 44.5 m-85 -63.74 -35.0 79.13 Favored 'General case' 0 N--CA 1.451 -0.412 0 N-CA-C 112.712 0.634 . . . . 0.0 112.712 -178.68 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 53' ' ' TYR . . . . . . . . . . . . . 83.8 m-85 -73.07 -39.88 65.51 Favored 'General case' 0 N--CA 1.451 -0.419 0 N-CA-C 108.465 -0.939 . . . . 0.0 108.465 -177.643 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 16.4 mm-40 -55.9 -59.04 5.45 Favored 'General case' 0 CA--C 1.534 0.359 0 N-CA-C 109.865 -0.42 . . . . 0.0 109.865 169.814 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 5.1 mp -46.31 -53.73 10.26 Favored 'General case' 0 C--O 1.226 -0.171 0 C-N-CA 123.772 0.829 . . . . 0.0 112.786 174.908 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -50.5 -48.09 57.07 Favored 'General case' 0 CA--C 1.532 0.285 0 N-CA-C 109.303 -0.629 . . . . 0.0 109.303 179.363 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 50.1 mtp180 -65.74 -39.04 90.7 Favored 'General case' 0 CA--C 1.539 0.523 0 N-CA-C 112.245 0.461 . . . . 0.0 112.245 177.387 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 28.9 mmtp -59.02 -52.12 67.12 Favored 'General case' 0 N--CA 1.462 0.142 0 O-C-N 120.74 -1.225 . . . . 0.0 109.628 176.212 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -55.53 -49.08 73.58 Favored 'General case' 0 CA--C 1.531 0.233 0 C-N-CA 123.781 0.832 . . . . 0.0 109.798 176.923 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 60' ' ' ARG . . . . . . . . . . . . . 80.3 ttt180 -52.03 -51.14 59.41 Favored 'General case' 0 CA--C 1.533 0.302 0 C-N-CA 124.004 0.922 . . . . 0.0 111.629 176.357 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 61' ' ' GLN . . . . . . . . . . . . . 30.8 mt-30 -64.28 -50.81 66.42 Favored 'General case' 0 CA--C 1.532 0.28 0 O-C-N 121.611 -0.681 . . . . 0.0 110.409 179.347 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 42.4 tp -48.37 -46.32 36.81 Favored 'General case' 0 CA--C 1.529 0.161 0 C-N-CA 123.83 0.852 . . . . 0.0 110.102 176.735 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 63' ' ' HIS . . . . . . . . . . . . . 5.7 t-80 -48.85 -37.03 18.29 Favored 'General case' 0 N--CA 1.453 -0.309 0 C-N-CA 124.868 1.267 . . . . 0.0 112.259 178.582 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 64' ' ' MET . . . . . . . . . . . . . 75.4 mmm -62.95 -34.43 77.46 Favored 'General case' 0 N--CA 1.456 -0.147 0 CA-C-N 118.087 0.403 . . . . 0.0 110.7 179.261 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 65' ' ' GLN . . . . . . . . . . . . . 14.5 mt-30 -79.17 -44.82 21.16 Favored 'General case' 0 N--CA 1.45 -0.427 0 N-CA-C 108.642 -0.873 . . . . 0.0 108.642 179.861 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 24.5 mt -53.21 -44.77 68.27 Favored 'General case' 0 CA--C 1.53 0.207 0 C-N-CA 122.563 0.345 . . . . 0.0 110.534 175.542 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 67' ' ' TYR . . . . . . . . . . . . . 97.4 m-85 -136.56 93.93 13.86 Favored Pre-proline 0 N--CA 1.452 -0.339 0 C-N-CA 123.752 0.821 . . . . 0.0 111.084 -174.085 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 68' ' ' PRO . . . . . . . . . . . . . 50.9 Cg_exo -54.93 -57.42 1.72 Allowed 'Trans proline' 0 N--CA 1.452 -0.936 0 C-N-CA 122.648 2.232 . . . . 0.0 108.948 169.188 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . -79.85 51.24 4.02 Favored Glycine 0 C--N 1.337 0.603 0 N-CA-C 111.021 -0.832 . . . . 0.0 111.021 170.048 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 70' ' ' TRP . . . . . . . . . . . . . 1.8 t90 -60.76 112.63 2.1 Favored 'General case' 0 N--CA 1.448 -0.541 0 N-CA-C 105.894 -1.891 . . . . 0.0 105.894 168.77 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 14.9 m -118.94 58.2 0.86 Allowed 'General case' 0 CA--C 1.536 0.417 0 C-N-CA 123.266 0.626 . . . . 0.0 112.683 -172.139 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -44.95 -44.24 9.66 Favored 'General case' 0 N--CA 1.475 0.775 0 CA-C-N 119.255 0.934 . . . . 0.0 111.339 178.599 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 73' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -62.07 -25.08 67.49 Favored 'General case' 0 N--CA 1.436 -1.15 0 CA-C-N 114.439 -1.255 . . . . 0.0 111.07 -169.647 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 74' ' ' ASP . . . . . . . . . . . . . 26.6 t70 -67.86 -34.88 77.55 Favored 'General case' 0 CA--C 1.531 0.216 0 O-C-N 121.995 -0.441 . . . . 0.0 111.286 174.098 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 75' ' ' ASN . . . . . . . . . . . . . 13.9 m120 -95.67 -29.11 14.48 Favored 'General case' 0 C--O 1.234 0.251 0 C-N-CA 123.714 0.806 . . . . 0.0 111.582 -170.919 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 76' ' ' TYR . . . . . . . . . . . . . 92.1 t80 -49.99 131.45 22.89 Favored 'General case' 0 N--CA 1.451 -0.421 0 CA-C-O 120.604 0.24 . . . . 0.0 111.301 176.723 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 80.22 -12.13 33.36 Favored Glycine 0 CA--C 1.531 1.057 0 CA-C-O 118.181 -1.344 . . . . 0.0 114.234 178.781 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 42.0 mmtm -80.06 -13.27 59.43 Favored 'General case' 0 CA--C 1.534 0.335 0 CA-C-N 120.049 1.924 . . . . 0.0 114.565 -169.555 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 87.8 mttt -62.88 139.78 58.76 Favored 'General case' 0 CA--C 1.533 0.314 0 CA-C-N 119.777 1.171 . . . . 0.0 107.998 169.469 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 93.9 mttt -80.11 53.48 1.74 Allowed 'General case' 0 CA--C 1.538 0.489 0 C-N-CA 124.124 0.97 . . . . 0.0 109.564 -178.549 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 20.5 ttmm -60.61 121.76 13.01 Favored 'General case' 0 CA--C 1.533 0.294 0 C-N-CA 124.504 1.121 . . . . 0.0 110.918 -169.871 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 82' ' ' ARG . . . . . . . . . . . . . 57.8 mtt85 -69.98 -41.9 73.82 Favored 'General case' 0 CA--C 1.531 0.241 0 C-N-CA 122.938 0.495 . . . . 0.0 111.579 179.951 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . 96.1 mttt -53.06 -67.97 0.21 Allowed 'General case' 0 CA--C 1.534 0.352 0 C-N-CA 123.009 0.523 . . . . 0.0 110.455 179.843 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 84' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER 62.09 70.04 0.6 Allowed 'General case' 0 N--CA 1.444 -0.75 0 C-N-CA 125.087 1.355 . . . . 0.0 108.951 179.664 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 4.8 mp0 -75.11 36.69 0.12 Allowed 'General case' 0 CA--C 1.534 0.359 0 C-N-CA 125.697 1.599 . . . . 0.0 111.436 -176.239 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 68.0 mttm . . . . . 0 N--CA 1.453 -0.276 0 O-C-N 121.88 -0.513 . . . . 0.0 109.891 170.808 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' B' B ' 1' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.529 2.264 1 O4'-C1'-N19 111.929 5.162 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 2' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.414 -2.947 1 O4'-C1'-N19 111.75 4.937 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 3' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.417 -2.659 0 P-O3'-C3' 123.449 3.124 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' B' B ' 4' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.416 -2.709 0 P-O3'-C3' 123.341 3.034 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' B' B ' 5' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.409 -3.387 0 O4'-C1'-N19 110.23 3.037 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' B' B ' 6' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.408 -3.487 0 C5'-C4'-C3' 111.498 -2.134 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' B' B ' 7' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.417 -2.677 0 C4'-C3'-C2' 100.143 -3.057 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' B' B ' 8' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.414 -2.892 0 C3'-C2'-C1' 106.792 2.923 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' B' B ' 9' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.537 3.311 0 P-O3'-C3' 122.343 2.202 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' B' B ' 10' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.532 2.584 0 P-O3'-C3' 122.867 2.639 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' B' B ' 11' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.529 2.199 1 O4'-C1'-N19 112.848 6.31 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 12' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.409 -3.32 1 O4'-C4'-C3' 110.079 4.479 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 13' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.412 -3.052 0 O4'-C1'-N19 110.108 2.886 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' B' B ' 14' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.415 -2.783 0 O4'-C1'-N19 110.202 3.002 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' B' B ' 15' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.411 -3.194 0 O4'-C1'-N19 109.896 2.62 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' C' C ' 1' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.416 -2.723 1 O4'-C1'-N19 112.239 5.549 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' C' C ' 2' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.533 2.775 0 O4'-C1'-N19 110.344 3.18 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' C' C ' 3' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.415 -2.797 2 O4'-C1'-N19 114.876 8.845 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' C' C ' 4' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.535 2.951 0 O4'-C1'-N19 110.441 3.301 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' C' C ' 5' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.413 -3.042 0 P-O3'-C3' 122.566 2.388 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' C' C ' 6' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.415 -2.81 0 O4'-C1'-N19 110.925 3.906 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' C' C ' 7' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.416 -2.757 0 O4'-C4'-C3' 108.898 3.298 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' C' C ' 8' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.404 -3.777 1 C4'-C3'-C2' 98.536 -4.664 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' C' C ' 9' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.409 -3.357 0 C5'-C4'-C3' 111.092 -2.405 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' C' C ' 10' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.415 -2.841 1 O4'-C1'-N19 111.239 4.299 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' C' C ' 11' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.417 -2.641 0 O4'-C4'-C3' 108.012 2.412 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' C' C ' 12' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.537 3.232 0 O4'-C1'-N19 110.296 3.12 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' C' C ' 13' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.413 -2.999 0 O4'-C1'-N19 110.86 3.825 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' C' C ' 14' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.412 -3.127 0 O4'-C1'-N19 110.104 2.88 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' C' C ' 15' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.533 2.693 1 O4'-C1'-N19 111.205 4.256 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 36.2 tpp . . . . . 0 CA--C 1.532 0.286 0 CA-C-O 122.138 0.97 . . . . 0.0 109.011 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' 2' ' ' HIS . . . . . . . . . . . . . 96.9 m-70 -72.52 81.67 1.08 Allowed 'General case' 0 N--CA 1.452 -0.326 0 CA-C-N 115.946 -0.57 . . . . 0.0 110.266 -179.469 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . 56.5 mt -77.39 101.09 3.11 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.386 0 N-CA-C 105.718 -1.956 . . . . 0.0 105.718 178.335 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -44.84 150.13 0.39 Allowed 'General case' 0 N--CA 1.451 -0.388 0 C-N-CA 126.981 2.112 . . . . 0.0 111.692 -177.47 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 6.4 mtpm? -72.37 153.73 92.02 Favored Pre-proline 0 N--CA 1.45 -0.449 0 C-N-CA 124.433 1.093 . . . . 0.0 108.346 -178.024 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 55.9 Cg_endo -62.79 127.08 19.58 Favored 'Trans proline' 0 N--CA 1.451 -0.995 0 C-N-CA 121.579 1.519 . . . . 0.0 109.386 176.944 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 18.5 mt -64.71 170.17 4.37 Favored 'General case' 0 N--CA 1.455 -0.198 0 CA-C-O 121.261 0.553 . . . . 0.0 110.821 176.766 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 3.3 p30 -130.53 177.37 7.42 Favored 'General case' 0 N--CA 1.45 -0.434 0 C-N-CA 123.809 0.844 . . . . 0.0 110.623 179.255 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -39.01 -62.26 0.65 Allowed 'General case' 0 N--CA 1.447 -0.585 0 C-N-CA 126.133 1.773 . . . . 0.0 113.109 -178.549 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 10' ' ' PHE . . . . . . . . . . . . . 5.5 m-85 -72.24 -25.63 61.7 Favored 'General case' 0 N--CA 1.453 -0.316 0 O-C-N 121.507 -0.746 . . . . 0.0 110.979 -171.007 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 11' ' ' MET . . . . . . . . . . . . . 61.5 mmm -66.82 -38.61 86.78 Favored 'General case' 0 CA--C 1.532 0.267 0 N-CA-C 109.135 -0.691 . . . . 0.0 109.135 176.772 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 68.3 mt -68.58 -45.09 72.96 Favored 'General case' 0 CA--C 1.522 -0.109 0 O-C-N 121.721 -0.612 . . . . 0.0 110.22 172.947 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 19.2 t80 -53.67 -46.06 70.5 Favored 'General case' 0 N--CA 1.465 0.288 0 N-CA-C 109.542 -0.54 . . . . 0.0 109.542 179.458 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 14' ' ' MET . . . . . . . . . . . . . 27.2 ttm -54.29 -64.59 0.78 Allowed 'General case' 0 N--CA 1.445 -0.683 0 C-N-CA 124.145 0.978 . . . . 0.0 110.117 170.189 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 18.1 mttt -44.22 -43.1 7.0 Favored 'General case' 0 CA--C 1.536 0.429 0 CA-C-N 119.775 1.171 . . . . 0.0 112.54 -177.587 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 47.7 mt-10 -72.16 -68.05 0.5 Allowed 'General case' 0 CA--C 1.537 0.478 0 C-N-CA 123.29 0.636 . . . . 0.0 112.043 178.481 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 17' ' ' MET . . . . . . . . . . . . . 15.4 mtp -81.49 -25.66 35.83 Favored 'General case' 0 N--CA 1.457 -0.109 0 N-CA-C 114.857 1.428 . . . . 0.0 114.857 -168.816 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 8.0 tmm_? -55.97 -41.81 75.31 Favored 'General case' 0 C--N 1.324 -0.509 0 CA-C-N 119.11 0.868 . . . . 0.0 111.201 -174.693 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -54.26 -47.94 71.73 Favored 'General case' 0 CA--C 1.532 0.264 0 O-C-N 122.019 -0.426 . . . . 0.0 110.662 172.022 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 20' ' ' ASN . . . . . . . . . . . . . 3.9 t30 -58.9 -50.86 72.44 Favored 'General case' 0 N--CA 1.453 -0.302 0 N-CA-C 109.739 -0.467 . . . . 0.0 109.739 176.423 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 78.3 t -50.2 -53.04 12.87 Favored 'Isoleucine or valine' 0 N--CA 1.46 0.037 0 CA-C-N 118.928 0.785 . . . . 0.0 110.472 177.617 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 55.5 t -59.02 -37.24 66.61 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.336 0 C-N-CA 122.718 0.407 . . . . 0.0 110.577 -178.888 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -66.23 -47.82 72.55 Favored 'General case' 0 CA--C 1.538 0.506 0 O-C-N 121.847 -0.533 . . . . 0.0 112.421 173.681 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 23.9 mt-10 -70.14 -52.44 23.54 Favored 'General case' 0 CA--C 1.53 0.186 0 O-C-N 121.805 -0.559 . . . . 0.0 111.45 -174.717 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 54.7 p -87.93 176.74 7.2 Favored 'General case' 0 N--CA 1.453 -0.322 0 C-N-CA 123.898 0.879 . . . . 0.0 111.077 -169.733 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 3.9 p -81.37 -12.91 58.84 Favored 'General case' 0 N--CA 1.447 -0.604 0 C-N-CA 123.797 0.839 . . . . 0.0 111.13 169.77 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 4.1 mm? -81.79 155.82 25.24 Favored 'General case' 0 N--CA 1.447 -0.616 0 CA-C-N 119.16 0.891 . . . . 0.0 113.17 -169.957 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 1.9 mptp? -141.22 -33.98 0.5 Allowed 'General case' 0 N--CA 1.454 -0.239 0 C-N-CA 125.784 1.634 . . . . 0.0 110.805 168.557 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 2.7 mp0 -52.89 110.6 0.54 Allowed 'General case' 0 N--CA 1.45 -0.47 0 C-N-CA 125.163 1.385 . . . . 0.0 108.067 -172.489 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 12.6 t -49.71 -50.67 43.1 Favored 'General case' 0 C--O 1.22 -0.486 0 O-C-N 123.601 0.563 . . . . 0.0 111.984 -168.38 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -55.18 -40.29 70.54 Favored 'General case' 0 CA--C 1.535 0.389 0 O-C-N 120.988 -1.07 . . . . 0.0 113.202 -178.946 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -69.17 -50.04 51.22 Favored 'General case' 0 CA--C 1.53 0.179 0 O-C-N 121.326 -0.859 . . . . 0.0 109.327 176.088 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 33' ' ' ILE . . . . . . . . . . . . . 8.7 mm -53.1 -34.24 21.07 Favored 'Isoleucine or valine' 0 CA--C 1.543 0.704 0 C-N-CA 125.083 1.353 . . . . 0.0 112.094 177.667 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 82.1 m-20 -76.92 -35.63 57.2 Favored 'General case' 0 C--N 1.33 -0.243 0 C-N-CA 124.586 1.154 . . . . 0.0 109.768 -178.167 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 37.9 mt-30 -66.54 -41.0 89.38 Favored 'General case' 0 CA--C 1.535 0.371 0 O-C-N 121.841 -0.537 . . . . 0.0 110.127 169.645 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 15.3 mt -51.0 -55.02 8.35 Favored 'Isoleucine or valine' 0 CA--C 1.531 0.24 0 N-CA-C 109.002 -0.74 . . . . 0.0 109.002 169.885 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 11.8 mt -56.3 -40.99 75.23 Favored 'General case' 0 CA--C 1.533 0.32 0 CA-C-N 118.804 0.729 . . . . 0.0 111.492 177.877 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -49.14 -51.8 24.45 Favored Glycine 0 CA--C 1.531 1.084 0 N-CA-C 111.183 -0.767 . . . . 0.0 111.183 171.374 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -58.75 -55.0 40.78 Favored 'General case' 0 N--CA 1.447 -0.601 0 O-C-N 121.559 -0.965 . . . . 0.0 110.497 173.304 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 31.0 mtp180 -63.74 -22.72 67.05 Favored 'General case' 0 C--N 1.334 -0.077 0 O-C-N 121.606 -0.684 . . . . 0.0 111.413 -169.607 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 41' ' ' TRP . . . . . . . . . . . . . 63.8 t-105 -50.3 -39.18 44.79 Favored 'General case' 0 N--CA 1.452 -0.344 0 O-C-N 121.607 -0.683 . . . . 0.0 111.259 170.271 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 42' ' ' HIS . . . . . . . . . . . . . 61.3 m80 -61.38 -17.63 54.97 Favored 'General case' 0 CA--C 1.532 0.285 0 C-N-CA 123.522 0.729 . . . . 0.0 112.467 -176.379 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -79.02 -18.95 52.68 Favored 'General case' 0 CA--C 1.534 0.365 0 CA-C-N 118.116 0.417 . . . . 0.0 111.78 176.063 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 22.4 mt -70.82 125.36 26.63 Favored 'General case' 0 CA--C 1.53 0.186 0 CA-C-N 118.803 0.729 . . . . 0.0 110.927 -177.445 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 83.7 p -58.34 160.82 4.85 Favored 'General case' 0 CA--C 1.533 0.3 0 N-CA-C 109.478 -0.564 . . . . 0.0 109.478 169.094 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 83.2 mtt85 -49.79 -40.58 42.05 Favored 'General case' 0 CA--C 1.534 0.341 0 O-C-N 122.022 -0.424 . . . . 0.0 111.026 176.45 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 2.4 mp0 -64.19 -52.24 59.87 Favored 'General case' 0 N--CA 1.453 -0.303 0 C-N-CA 123.935 0.894 . . . . 0.0 110.985 178.37 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 34.4 mt-10 -56.15 -43.82 78.65 Favored 'General case' 0 C--O 1.225 -0.206 0 CA-C-O 119.576 -0.249 . . . . 0.0 110.534 177.099 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 74.2 mt-30 -56.68 -59.0 5.67 Favored 'General case' 0 N--CA 1.453 -0.277 0 N-CA-C 109.23 -0.656 . . . . 0.0 109.23 174.316 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -47.18 -43.31 21.1 Favored 'General case' 0 CA--C 1.531 0.248 0 C-N-CA 124.0 0.92 . . . . 0.0 112.16 -178.182 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 12.9 pttt -47.12 -41.35 17.32 Favored 'General case' 0 CA--C 1.534 0.36 0 C-N-CA 122.684 0.394 . . . . 0.0 111.527 177.757 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 52' ' ' TYR . . . . . . . . . . . . . 46.6 m-85 -63.59 -33.9 76.62 Favored 'General case' 0 CA--C 1.517 -0.294 0 N-CA-C 112.768 0.655 . . . . 0.0 112.768 -179.36 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 53' ' ' TYR . . . . . . . . . . . . . 41.5 m-85 -72.53 -38.94 67.9 Favored 'General case' 0 N--CA 1.451 -0.394 0 N-CA-C 107.701 -1.222 . . . . 0.0 107.701 -176.452 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 43.9 mm-40 -58.51 -62.06 2.13 Favored 'General case' 0 CA--C 1.533 0.294 0 N-CA-C 109.681 -0.488 . . . . 0.0 109.681 169.705 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 5.2 mp -46.11 -51.25 14.28 Favored 'General case' 0 C--O 1.226 -0.177 0 C-N-CA 124.112 0.965 . . . . 0.0 113.349 177.801 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -52.21 -45.89 65.42 Favored 'General case' 0 C--N 1.329 -0.289 0 C-N-CA 122.608 0.363 . . . . 0.0 110.022 177.308 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 45.2 mtt85 -67.5 -36.82 81.81 Favored 'General case' 0 CA--C 1.535 0.381 0 O-C-N 121.983 -0.448 . . . . 0.0 111.62 177.404 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 70.6 mmtt -59.3 -46.85 87.44 Favored 'General case' 0 CA--C 1.532 0.28 0 CA-C-N 119.402 1.001 . . . . 0.0 110.71 172.551 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 29.7 mm-40 -58.97 -45.28 90.94 Favored 'General case' 0 CA--C 1.53 0.208 0 C-N-CA 123.286 0.634 . . . . 0.0 110.708 175.637 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 60' ' ' ARG . . . . . . . . . . . . . 71.4 ttt-85 -55.6 -52.93 62.1 Favored 'General case' 0 CA--C 1.535 0.401 0 C-N-CA 123.668 0.787 . . . . 0.0 110.629 175.608 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 61' ' ' GLN . . . . . . . . . . . . . 33.5 mt-30 -55.18 -52.55 62.98 Favored 'General case' 0 CA--C 1.528 0.132 0 C-N-CA 123.461 0.705 . . . . 0.0 109.828 177.486 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 43.4 tp -51.9 -55.89 17.43 Favored 'General case' 0 C--O 1.225 -0.23 0 N-CA-C 109.469 -0.567 . . . . 0.0 109.469 178.253 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 63' ' ' HIS . . . . . . . . . . . . . 59.9 t-80 -47.47 -53.53 13.95 Favored 'General case' 0 CA--C 1.532 0.267 0 C-N-CA 124.108 0.963 . . . . 0.0 110.747 177.147 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 64' ' ' MET . . . . . . . . . . . . . 85.1 mtp -61.67 -30.45 70.74 Favored 'General case' 0 CA--C 1.534 0.347 0 N-CA-C 112.951 0.723 . . . . 0.0 112.951 178.582 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 65' ' ' GLN . . . . . . . . . . . . . 16.1 mt-30 -78.17 -53.5 7.29 Favored 'General case' 0 CA--C 1.528 0.128 0 CA-C-N 119.145 0.884 . . . . 0.0 109.182 -178.351 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 74.9 mt -54.6 -39.49 67.91 Favored 'General case' 0 N--CA 1.454 -0.254 0 C-N-CA 124.366 1.066 . . . . 0.0 110.496 175.284 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 67' ' ' TYR . . . . . . . . . . . . . 76.6 m-85 -131.52 86.33 49.83 Favored Pre-proline 0 CA--C 1.538 0.49 0 C-N-CA 123.915 0.886 . . . . 0.0 110.069 -177.427 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 68' ' ' PRO . . . . . . . . . . . . . 49.4 Cg_exo -42.49 98.88 0.03 OUTLIER 'Trans proline' 0 N--CA 1.461 -0.433 1 C-N-CA 125.544 4.162 . . . . 0.0 114.196 -179.787 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . 62.81 24.39 66.48 Favored Glycine 0 C--N 1.336 0.572 0 CA-C-O 119.393 -0.671 . . . . 0.0 113.331 177.921 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 70' ' ' TRP . . . . . . . . . . . . . 59.0 t-105 -62.46 118.36 7.43 Favored 'General case' 0 N--CA 1.446 -0.659 0 C-N-CA 118.904 -1.118 . . . . 0.0 108.597 173.322 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 48.9 m -86.41 148.5 25.54 Favored 'General case' 0 N--CA 1.444 -0.732 0 CA-C-N 115.042 -0.981 . . . . 0.0 108.558 -173.384 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 72' ' ' ALA . . . . . 0.439 ' HB2' " H4'" ' B' ' 11' ' ' ' DA' . . . -47.37 -39.18 14.54 Favored 'General case' 0 CA--C 1.532 0.279 0 N-CA-C 116.962 2.208 . . . . 0.0 116.962 -168.887 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 73' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -65.38 70.29 0.04 OUTLIER 'General case' 0 CA--C 1.534 0.351 0 N-CA-C 115.272 1.582 . . . . 0.0 115.272 -172.001 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 74' ' ' ASP . . . . . . . . . . . . . 5.2 p-10 -88.12 -17.79 30.23 Favored 'General case' 0 CA--C 1.532 0.262 0 C-N-CA 124.701 1.2 . . . . 0.0 110.725 169.84 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 75' ' ' ASN . . . . . . . . . . . . . 36.3 m-80 -151.98 16.93 0.67 Allowed 'General case' 0 CA--C 1.534 0.33 0 C-N-CA 124.521 1.129 . . . . 0.0 111.474 178.062 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 76' ' ' TYR . . . . . . . . . . . . . 52.3 t80 -57.4 113.21 1.67 Allowed 'General case' 0 CA--C 1.533 0.296 0 CA-C-N 120.165 1.348 . . . . 0.0 112.479 -169.789 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 87.12 -18.26 37.39 Favored Glycine 0 CA--C 1.533 1.208 0 CA-C-O 118.615 -1.103 . . . . 0.0 113.663 -177.442 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 13.7 mptt -76.2 -22.14 55.64 Favored 'General case' 0 CA--C 1.531 0.213 0 CA-C-N 118.706 1.253 . . . . 0.0 112.806 -169.894 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 78.5 mttt -57.76 132.69 54.08 Favored 'General case' 0 CA--C 1.534 0.361 0 N-CA-C 106.754 -1.573 . . . . 0.0 106.754 169.535 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 61.7 mttp -79.2 61.46 3.32 Favored 'General case' 0 CA--C 1.533 0.312 0 C-N-CA 123.73 0.812 . . . . 0.0 109.285 -175.018 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 21.3 ttmm -56.59 100.56 0.05 OUTLIER 'General case' 0 N--CA 1.45 -0.444 0 C-N-CA 125.699 1.6 . . . . 0.0 111.813 -169.285 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 82' ' ' ARG . . . . . . . . . . . . . 38.3 mtp180 -50.52 -40.27 51.17 Favored 'General case' 0 CA--C 1.536 0.411 0 C-N-CA 124.12 0.968 . . . . 0.0 111.907 176.461 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . 68.7 mttm -53.23 -41.34 65.31 Favored 'General case' 0 CA--C 1.537 0.452 0 CA-C-N 118.239 0.472 . . . . 0.0 111.405 176.503 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 84' ' ' ARG . . . . . . . . . . . . . 56.8 ttp180 -75.31 -53.69 8.34 Favored 'General case' 0 CA--C 1.528 0.131 0 N-CA-C 108.248 -1.019 . . . . 0.0 108.248 177.1 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 41.7 mt-10 -78.22 57.55 1.88 Allowed 'General case' 0 CA--C 1.534 0.33 0 C-N-CA 124.953 1.301 . . . . 0.0 109.93 -179.339 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 95.0 mttt . . . . . 0 CA--C 1.53 0.191 0 C-N-CA 124.45 1.1 . . . . 0.0 111.078 -176.587 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' B' B ' 1' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.528 2.18 1 O4'-C1'-N19 111.638 4.797 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 2' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.417 -2.612 1 O4'-C1'-N19 111.969 5.211 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 3' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.531 2.448 0 P-O3'-C3' 123.465 3.137 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' B' B ' 4' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.413 -2.994 0 P-O3'-C3' 123.544 3.203 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' B' B ' 5' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.41 -3.232 0 O4'-C1'-N19 110.752 3.69 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' B' B ' 6' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.409 -3.347 0 C5'-C4'-C3' 111.729 -1.981 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' B' B ' 7' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.417 -2.623 0 C4'-C3'-C2' 100.085 -3.115 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' B' B ' 8' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.409 -3.388 0 C3'-C2'-C1' 106.78 2.914 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' B' B ' 9' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.416 -2.716 0 P-O3'-C3' 123.335 3.029 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' B' B ' 10' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.421 -2.304 0 P-O3'-C3' 123.626 3.272 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' B' B ' 11' ' ' ' DA' . . . . . 0.439 " H4'" ' HB2' ' A' ' 72' ' ' ALA . . . . . . . . 0 O4'--C4' 1.414 -2.901 3 O4'-C1'-N19 112.546 5.932 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 12' ' ' ' DG' . . . . . 0.418 " H5'" ' HB3' ' A' ' 72' ' ' ALA . . . . . . . . 0 C5'--C4' 1.535 2.939 0 C5'-C4'-C3' 109.344 -3.57 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 13' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.413 -2.987 0 O4'-C4'-C3' 108.522 2.922 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' B' B ' 14' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.415 -2.851 0 O4'-C1'-N19 110.467 3.334 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' B' B ' 15' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.41 -3.267 0 O4'-C1'-N19 109.894 2.618 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' C' C ' 1' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.419 -2.451 0 O4'-C1'-N19 110.944 3.929 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' C' C ' 2' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.533 2.791 0 O4'-C1'-C2' 103.319 -2.529 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' C' C ' 3' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.415 -2.795 2 O4'-C1'-N19 114.661 8.577 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' C' C ' 4' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.533 2.762 0 O4'-C4'-C3' 108.058 2.458 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' C' C ' 5' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.412 -3.134 0 O4'-C1'-C2' 103.115 -2.714 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' C' C ' 6' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.412 -3.091 0 O4'-C1'-C2' 102.812 -2.989 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' C' C ' 7' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.409 -3.372 0 O4'-C4'-C3' 108.391 2.791 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' C' C ' 8' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.41 -3.288 1 C4'-C3'-C2' 97.517 -5.683 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' C' C ' 9' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.409 -3.405 0 O4'-C1'-N19 105.87 -2.413 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' C' C ' 10' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.414 -2.89 0 O4'-C1'-N19 110.959 3.949 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' C' C ' 11' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.533 2.75 1 O4'-C1'-N19 111.955 5.193 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' C' C ' 12' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.417 -2.617 0 O4'-C1'-N19 110.088 2.86 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' C' C ' 13' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.534 2.895 0 O4'-C1'-N19 110.64 3.55 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' C' C ' 14' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.413 -3.032 0 P-O3'-C3' 122.684 2.487 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' C' C ' 15' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.415 -2.819 1 O4'-C1'-N19 111.458 4.572 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 32.2 ttm . . . . . 0 N--CA 1.451 -0.397 0 N-CA-C 109.14 -0.689 . . . . 0.0 109.14 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 2' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER -71.77 67.54 0.59 Allowed 'General case' 0 CA--C 1.533 0.325 0 C-N-CA 123.203 0.601 . . . . 0.0 110.975 179.079 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . 60.2 mt -79.36 118.9 27.64 Favored 'Isoleucine or valine' 0 C--O 1.236 0.364 0 N-CA-C 105.837 -1.912 . . . . 0.0 105.837 169.168 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -43.28 129.65 4.84 Favored 'General case' 0 N--CA 1.451 -0.398 0 C-N-CA 125.375 1.47 . . . . 0.0 111.686 -176.066 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 11.7 mptt -61.98 158.16 46.12 Favored Pre-proline 0 N--CA 1.453 -0.288 0 C-N-CA 124.642 1.177 . . . . 0.0 109.984 -178.889 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 66.2 Cg_endo -65.55 88.1 0.21 Allowed 'Trans proline' 0 N--CA 1.451 -1.001 0 C-N-CA 122.32 2.014 . . . . 0.0 109.308 170.609 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 9.3 mp -39.45 121.16 1.15 Allowed 'General case' 0 C--O 1.231 0.112 0 C-N-CA 124.888 1.275 . . . . 0.0 112.61 176.036 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 6.5 p30 -78.2 -179.77 6.41 Favored 'General case' 0 N--CA 1.444 -0.773 0 CA-C-O 122.367 1.079 . . . . 0.0 111.825 179.824 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 9' ' ' ALA . . . . . 0.405 ' CB ' ' HB3' ' A' ' 52' ' ' TYR . . . -38.89 -64.43 0.45 Allowed 'General case' 0 N--CA 1.446 -0.674 0 C-N-CA 126.859 2.064 . . . . 0.0 113.94 179.601 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 10' ' ' PHE . . . . . . . . . . . . . 5.8 m-85 -70.65 -25.96 63.24 Favored 'General case' 0 N--CA 1.456 -0.174 0 O-C-N 121.354 -0.841 . . . . 0.0 111.781 -169.324 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 11' ' ' MET . . . . . . . . . . . . . 69.3 mmm -63.69 -38.09 89.81 Favored 'General case' 0 CA--C 1.535 0.368 0 N-CA-C 109.082 -0.71 . . . . 0.0 109.082 176.503 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 51.7 mt -72.82 -44.24 61.69 Favored 'General case' 0 CA--C 1.52 -0.191 0 O-C-N 121.914 -0.491 . . . . 0.0 110.023 175.441 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 22.3 t80 -53.78 -47.71 70.49 Favored 'General case' 0 N--CA 1.465 0.286 0 N-CA-C 109.331 -0.618 . . . . 0.0 109.331 179.233 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 14' ' ' MET . . . . . . . . . . . . . 8.5 ttm -52.02 -66.43 0.39 Allowed 'General case' 0 N--CA 1.443 -0.804 0 C-N-CA 124.403 1.081 . . . . 0.0 109.619 169.904 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 16.1 mmtt -43.17 -44.93 5.34 Favored 'General case' 0 CA--C 1.537 0.443 0 CA-C-N 119.937 1.244 . . . . 0.0 112.657 -177.078 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 46.3 mt-10 -70.22 -66.51 0.59 Allowed 'General case' 0 CA--C 1.537 0.451 0 C-N-CA 123.137 0.575 . . . . 0.0 112.085 179.258 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 17' ' ' MET . . . . . . . . . . . . . 12.3 mtp -79.87 -27.55 40.06 Favored 'General case' 0 C--O 1.228 -0.077 0 N-CA-C 114.322 1.23 . . . . 0.0 114.322 -169.064 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 3.0 tmm_? -58.09 -36.05 72.3 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 121.432 -0.792 . . . . 0.0 111.449 -173.16 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -55.0 -49.41 71.58 Favored 'General case' 0 CA--C 1.533 0.324 0 O-C-N 121.733 -0.604 . . . . 0.0 110.582 170.283 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 20' ' ' ASN . . . . . . . . . . . . . 33.7 t30 -61.47 -46.39 90.26 Favored 'General case' 0 C--O 1.223 -0.327 0 N-CA-C 110.029 -0.36 . . . . 0.0 110.029 178.001 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 70.1 t -51.26 -54.24 12.11 Favored 'Isoleucine or valine' 0 CA--C 1.528 0.111 0 CA-C-N 118.493 0.588 . . . . 0.0 110.416 174.565 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 45.5 t -62.69 -36.33 74.74 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.385 0 C-N-CA 122.861 0.465 . . . . 0.0 110.473 -175.226 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -66.18 -47.26 74.53 Favored 'General case' 0 CA--C 1.536 0.409 0 O-C-N 122.016 -0.428 . . . . 0.0 111.822 174.114 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 9.9 mm-40 -70.29 -55.24 9.69 Favored 'General case' 0 CA--C 1.529 0.169 0 C-N-CA 124.578 1.151 . . . . 0.0 111.303 -174.006 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 54.3 p -83.63 171.72 13.0 Favored 'General case' 0 N--CA 1.452 -0.354 0 C-N-CA 123.996 0.918 . . . . 0.0 110.324 -172.913 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 8.6 p -78.8 -15.26 58.62 Favored 'General case' 0 N--CA 1.448 -0.562 0 C-N-CA 123.155 0.582 . . . . 0.0 111.435 170.848 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -84.4 156.97 21.57 Favored 'General case' 0 N--CA 1.449 -0.521 0 CA-C-O 122.025 0.917 . . . . 0.0 112.886 -169.453 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 1.5 mptp? -138.71 -40.23 0.5 Allowed 'General case' 0 N--CA 1.453 -0.319 0 C-N-CA 125.623 1.569 . . . . 0.0 109.846 172.613 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 2.8 mp0 -38.98 101.07 0.02 OUTLIER 'General case' 0 C--O 1.236 0.362 0 C-N-CA 127.222 2.209 . . . . 0.0 109.701 -177.173 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 7.7 t -50.48 -41.85 53.7 Favored 'General case' 0 N--CA 1.451 -0.383 0 N-CA-C 113.473 0.916 . . . . 0.0 113.473 -168.123 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -64.14 -33.88 76.78 Favored 'General case' 0 CA--C 1.535 0.4 0 CA-C-N 119.474 1.034 . . . . 0.0 112.865 -179.668 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -74.29 -48.61 27.38 Favored 'General case' 0 CA--C 1.529 0.157 0 O-C-N 121.292 -0.88 . . . . 0.0 109.155 174.812 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 33' ' ' ILE . . . . . . . . . . . . . 5.6 mm -54.02 -38.2 36.89 Favored 'Isoleucine or valine' 0 CA--C 1.544 0.739 0 C-N-CA 124.421 1.089 . . . . 0.0 111.516 178.441 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 4.6 m-80 -55.67 -43.55 76.46 Favored 'General case' 0 N--CA 1.463 0.191 0 O-C-N 121.121 -0.987 . . . . 0.0 111.939 171.23 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 41.8 mt-30 -69.27 -38.74 78.54 Favored 'General case' 0 N--CA 1.454 -0.235 0 O-C-N 121.741 -0.6 . . . . 0.0 110.127 178.855 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 23.3 mt -52.52 -50.62 39.0 Favored 'Isoleucine or valine' 0 C--N 1.342 0.247 0 N-CA-C 109.344 -0.613 . . . . 0.0 109.344 169.653 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 11.0 mt -60.31 -40.98 92.47 Favored 'General case' 0 CA--C 1.533 0.312 0 O-C-N 121.683 -0.635 . . . . 0.0 110.773 179.304 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -48.76 -52.36 20.87 Favored Glycine 0 CA--C 1.53 0.984 0 N-CA-C 111.114 -0.794 . . . . 0.0 111.114 170.288 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -57.27 -54.95 41.03 Favored 'General case' 0 N--CA 1.448 -0.572 0 O-C-N 121.511 -0.994 . . . . 0.0 110.456 173.217 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 91.7 mtt180 -62.02 -24.31 66.98 Favored 'General case' 0 C--O 1.23 0.074 0 O-C-N 121.763 -0.585 . . . . 0.0 111.329 -169.932 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 41' ' ' TRP . . . . . . . . . . . . . 64.7 t-105 -49.48 -39.64 34.44 Favored 'General case' 0 N--CA 1.453 -0.315 0 CA-C-N 118.712 0.687 . . . . 0.0 111.472 171.385 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 42' ' ' HIS . . . . . . . . . . . . . 65.9 m80 -61.5 -17.98 57.07 Favored 'General case' 0 N--CA 1.453 -0.296 0 C-N-CA 123.753 0.821 . . . . 0.0 112.563 -176.096 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -79.31 -18.61 52.28 Favored 'General case' 0 CA--C 1.535 0.377 0 CA-C-N 118.032 0.378 . . . . 0.0 111.909 176.1 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 21.5 mt -71.55 126.27 29.22 Favored 'General case' 0 CA--C 1.53 0.195 0 CA-C-N 118.805 0.73 . . . . 0.0 111.219 -175.943 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 81.6 p -58.29 161.22 4.47 Favored 'General case' 0 CA--C 1.531 0.244 0 N-CA-C 109.742 -0.466 . . . . 0.0 109.742 169.19 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 3.1 tmt_? -46.48 -47.29 19.29 Favored 'General case' 0 CA--C 1.534 0.339 0 C-N-CA 123.251 0.621 . . . . 0.0 109.977 174.438 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 2.7 mp0 -60.78 -52.69 64.02 Favored 'General case' 0 N--CA 1.453 -0.284 0 C-N-CA 123.87 0.868 . . . . 0.0 111.413 179.359 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 33.6 mt-10 -55.94 -43.44 77.42 Favored 'General case' 0 C--O 1.226 -0.16 0 CA-C-O 119.718 -0.182 . . . . 0.0 110.841 177.83 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 74.2 mt-30 -57.42 -58.85 6.44 Favored 'General case' 0 N--CA 1.454 -0.229 0 N-CA-C 109.13 -0.692 . . . . 0.0 109.13 174.857 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -48.49 -42.13 31.91 Favored 'General case' 0 C--O 1.234 0.284 0 C-N-CA 123.824 0.85 . . . . 0.0 112.203 -178.229 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 10.5 pttt -47.24 -40.36 16.28 Favored 'General case' 0 CA--C 1.533 0.289 0 C-N-CA 122.83 0.452 . . . . 0.0 111.406 177.026 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 52' ' ' TYR . . . . . 0.405 ' HB3' ' CB ' ' A' ' 9' ' ' ALA . 38.6 m-85 -64.32 -33.61 76.25 Favored 'General case' 0 CA--C 1.517 -0.322 0 O-C-N 121.396 -0.815 . . . . 0.0 113.152 -179.477 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 53' ' ' TYR . . . . . . . . . . . . . 31.4 m-85 -73.35 -40.16 64.64 Favored 'General case' 0 N--CA 1.451 -0.405 0 N-CA-C 107.151 -1.425 . . . . 0.0 107.151 -176.465 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 44.3 mt-10 -56.47 -60.46 3.49 Favored 'General case' 0 CA--C 1.535 0.393 0 CA-C-N 115.898 -0.592 . . . . 0.0 109.749 169.696 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 5.8 mp -46.95 -51.04 17.92 Favored 'General case' 0 C--O 1.226 -0.152 0 C-N-CA 124.531 1.132 . . . . 0.0 113.571 175.716 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -52.34 -48.77 65.3 Favored 'General case' 0 C--O 1.233 0.218 0 N-CA-C 109.017 -0.735 . . . . 0.0 109.017 177.567 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 23.1 mtp85 -61.04 -43.39 98.96 Favored 'General case' 0 C--O 1.219 -0.525 0 CA-C-O 118.41 -0.805 . . . . 0.0 112.196 173.622 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 31.7 mmtp -56.69 -47.39 79.98 Favored 'General case' 0 N--CA 1.465 0.292 0 CA-C-N 121.247 1.839 . . . . 0.0 110.986 178.124 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 36.2 mm-40 -55.61 -48.59 74.63 Favored 'General case' 0 CA--C 1.53 0.202 0 C-N-CA 122.924 0.49 . . . . 0.0 110.5 174.371 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 60' ' ' ARG . . . . . . . . . . . . . 42.8 ttt-85 -55.12 -53.5 55.12 Favored 'General case' 0 CA--C 1.539 0.539 0 C-N-CA 123.124 0.57 . . . . 0.0 111.652 176.2 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 61' ' ' GLN . . . . . . . . . . . . . 13.6 mm100 -58.49 -47.83 82.77 Favored 'General case' 0 N--CA 1.454 -0.251 0 C-N-CA 124.851 1.26 . . . . 0.0 109.458 -177.838 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 53.5 tp -52.78 -52.69 55.63 Favored 'General case' 0 N--CA 1.456 -0.163 0 N-CA-C 109.188 -0.671 . . . . 0.0 109.188 172.453 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 63' ' ' HIS . . . . . . . . . . . . . 1.9 t-80 -52.13 -41.5 62.55 Favored 'General case' 0 N--CA 1.454 -0.263 0 C-N-CA 124.395 1.078 . . . . 0.0 111.876 -178.516 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 64' ' ' MET . . . . . . . . . . . . . 93.0 mtp -54.8 -38.2 67.02 Favored 'General case' 0 CA--C 1.534 0.34 0 CA-C-N 118.5 0.591 . . . . 0.0 111.289 174.983 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 65' ' ' GLN . . . . . . . . . . . . . 24.0 mt-30 -78.45 -43.75 26.4 Favored 'General case' 0 N--CA 1.455 -0.204 0 N-CA-C 108.885 -0.783 . . . . 0.0 108.885 -177.122 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 31.8 mt -56.6 -44.74 81.42 Favored 'General case' 0 CA--C 1.533 0.29 0 N-CA-C 110.406 -0.22 . . . . 0.0 110.406 176.899 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 67' ' ' TYR . . . . . . . . . . . . . 98.7 m-85 -142.13 83.88 12.08 Favored Pre-proline 0 CA--C 1.532 0.263 0 C-N-CA 124.321 1.048 . . . . 0.0 110.605 -171.889 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 68' ' ' PRO . . . . . . . . . . . . . 71.9 Cg_exo -49.33 -48.97 16.77 Favored 'Trans proline' 0 N--CA 1.457 -0.672 0 C-N-CA 123.565 2.843 . . . . 0.0 111.443 173.823 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . -98.63 46.01 1.56 Allowed Glycine 0 C--N 1.338 0.67 0 C-N-CA 123.8 0.714 . . . . 0.0 111.564 174.148 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 70' ' ' TRP . . . . . . . . . . . . . 37.0 t90 -57.88 134.97 56.78 Favored 'General case' 0 N--CA 1.452 -0.358 0 N-CA-C 107.321 -1.363 . . . . 0.0 107.321 168.332 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 66.4 m -70.75 105.73 3.3 Favored 'General case' 0 N--CA 1.443 -0.822 0 C-N-CA 119.566 -0.854 . . . . 0.0 112.463 -179.42 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 72' ' ' ALA . . . . . 0.813 ' HB1' " H5'" ' B' ' 12' ' ' ' DG' . . . -60.86 132.8 55.04 Favored 'General case' 0 N--CA 1.446 -0.631 1 N-CA-C 99.459 -4.274 . . . . 0.0 99.459 164.002 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 73' ' ' ARG . . . . . 0.686 ' H ' ' CD ' ' A' ' 73' ' ' ARG 0.373 0.0 OUTLIER -33.1 69.28 0.0 OUTLIER 'General case' 0 C--N 1.318 -0.794 0 N-CA-C 121.179 3.77 . . . . 0.0 121.179 -160.538 . . . . . . . . 4 4 . 1 . 004 nuclear nobuild full ' A' A ' 74' ' ' ASP . . . . . . . . . . . . . 16.9 t70 -59.98 -24.7 64.64 Favored 'General case' 0 CA--C 1.544 0.715 0 N-CA-C 107.394 -1.336 . . . . 0.0 107.394 164.963 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 75' ' ' ASN . . . . . . . . . . . . . 36.3 m-80 -78.58 4.05 14.5 Favored 'General case' 0 CA--C 1.535 0.377 0 C-N-CA 126.178 1.791 . . . . 0.0 112.755 178.731 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 76' ' ' TYR . . . . . . . . . . . . . 8.5 t80 -54.77 126.9 26.01 Favored 'General case' 0 CA--C 1.532 0.276 0 CA-C-N 119.515 1.052 . . . . 0.0 110.813 -175.7 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 69.19 9.62 60.86 Favored Glycine 0 CA--C 1.535 1.306 0 CA-C-O 118.344 -1.253 . . . . 0.0 114.75 -178.628 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 60.1 mttm -78.38 -20.64 50.8 Favored 'General case' 0 CA--C 1.532 0.275 0 CA-C-N 120.28 2.04 . . . . 0.0 112.441 176.146 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 45.8 mttm -58.58 142.93 47.82 Favored 'General case' 0 CA--C 1.54 0.591 0 CA-C-N 118.979 0.809 . . . . 0.0 109.423 170.312 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 35.7 mmtm -73.04 67.73 0.89 Allowed 'General case' 0 N--CA 1.468 0.438 0 C-N-CA 124.949 1.299 . . . . 0.0 108.763 176.229 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 31.1 tttp -62.75 68.86 0.02 OUTLIER 'General case' 0 N--CA 1.447 -0.583 0 N-CA-C 119.085 2.995 . . . . 0.0 119.085 -166.667 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 82' ' ' ARG . . . . . . . . . . . . . 96.5 mtt180 -65.71 -46.03 80.5 Favored 'General case' 0 CA--C 1.542 0.65 0 N-CA-C 103.448 -2.797 . . . . 0.0 103.448 165.232 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . 38.6 mmtm -133.28 -46.94 0.83 Allowed 'General case' 0 CA--C 1.538 0.491 0 C-N-CA 129.655 3.182 . . . . 0.0 108.142 168.258 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 84' ' ' ARG . . . . . 0.42 ' CZ ' ' H62' ' C' ' 9' ' ' ' DA' . 42.1 mtp85 -157.31 -144.26 0.13 Allowed 'General case' 0 CA--C 1.541 0.62 0 C-N-CA 128.165 2.586 . . . . 0.0 107.87 -173.415 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 31.3 tt0 -133.82 -1.52 3.03 Favored 'General case' 0 CA--C 1.533 0.323 0 C-N-CA 124.885 1.274 . . . . 0.0 112.248 172.364 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 48.3 mtmt . . . . . 0 C--O 1.234 0.26 0 C-N-CA 125.697 1.599 . . . . 0.0 108.358 -177.683 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' B' B ' 1' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.53 2.414 1 O4'-C1'-N19 112.238 5.547 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 2' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.532 2.615 0 P-O3'-C3' 123.564 3.22 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' B' B ' 3' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.53 2.327 1 O4'-C1'-N19 111.774 4.968 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 4' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.419 -2.486 1 O4'-C1'-N19 111.822 5.027 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 5' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.409 -3.389 0 C4'-C3'-C2' 99.628 -3.572 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' B' B ' 6' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.413 -3.022 0 O4'-C1'-N19 109.887 2.609 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' B' B ' 7' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.418 -2.579 0 C4'-C3'-C2' 100.138 -3.062 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' B' B ' 8' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.408 -3.496 0 O4'-C4'-C3' 108.727 3.127 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' B' B ' 9' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.418 -2.512 0 P-O3'-C3' 123.314 3.012 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' B' B ' 10' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.533 2.782 0 O4'-C4'-C3' 108.416 2.816 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' B' B ' 11' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.421 -2.267 1 O4'-C1'-N19 113.592 7.24 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 12' ' ' ' DG' . . . . . 0.813 " H5'" ' HB1' ' A' ' 72' ' ' ALA . . . . . . . . 0 O4'--C4' 1.415 -2.818 2 P-O3'-C3' 125.526 4.855 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 13' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.411 -3.165 1 O4'-C1'-N19 112.03 5.288 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 14' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.416 -2.696 0 O4'-C1'-N19 110.35 3.187 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' B' B ' 15' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.411 -3.146 0 O4'-C1'-N19 109.953 2.692 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' C' C ' 1' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.416 -2.744 1 O4'-C1'-N19 112.058 5.323 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' C' C ' 2' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.532 2.591 0 O4'-C1'-N19 110.378 3.223 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' C' C ' 3' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.415 -2.827 2 O4'-C1'-N19 114.641 8.551 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' C' C ' 4' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.532 2.649 0 O4'-C4'-C3' 108.124 2.524 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' C' C ' 5' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.411 -3.203 1 O4'-C1'-N19 112.858 6.323 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' C' C ' 6' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.418 -2.529 0 O4'-C1'-C2' 102.072 -3.661 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' C' C ' 7' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.537 3.287 0 O4'-C4'-C3' 108.582 2.982 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' C' C ' 8' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.407 -3.521 0 C4'-C3'-C2' 99.939 -3.261 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' C' C ' 9' ' ' ' DA' . . . . . 0.42 ' H62' ' CZ ' ' A' ' 84' ' ' ARG . . . . . . . . 0 O4'--C4' 1.41 -3.247 0 C5'-C4'-C3' 110.699 -2.668 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' C' C ' 10' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.415 -2.832 0 O4'-C1'-N19 110.09 2.862 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' C' C ' 11' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.536 3.106 0 O4'-C4'-C3' 108.165 2.565 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' C' C ' 12' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.534 2.818 0 O3'-P-O5' 98.0 -3.158 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' C' C ' 13' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.415 -2.825 0 O4'-C1'-N19 110.17 2.963 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' C' C ' 14' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.412 -3.078 0 O4'-C1'-C2' 102.954 -2.86 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' C' C ' 15' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.531 2.548 1 O4'-C1'-N19 111.582 4.728 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 22.8 ptm . . . . . 0 CA--C 1.532 0.286 0 CA-C-O 121.938 0.875 . . . . 0.0 110.201 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' 2' ' ' HIS . . . . . . . . . . . . . 2.0 m-70 -72.04 101.16 2.66 Favored 'General case' 0 N--CA 1.454 -0.268 0 N-CA-C 109.178 -0.675 . . . . 0.0 109.178 177.059 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 3' ' ' ILE . . . . . 0.549 HD13 ' CD1' ' A' ' 67' ' ' TYR . 6.7 mm -79.81 97.34 2.77 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.369 0 C-N-CA 124.479 1.112 . . . . 0.0 108.02 178.715 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 6.7 mmtp -70.0 101.27 1.75 Allowed 'General case' 0 N--CA 1.451 -0.376 0 N-CA-C 108.173 -1.047 . . . . 0.0 108.173 171.676 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 14.1 mptt -45.96 149.18 1.25 Allowed Pre-proline 0 CA--C 1.536 0.436 0 C-N-CA 125.128 1.371 . . . . 0.0 110.418 179.782 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 60.9 Cg_endo -65.93 96.34 0.31 Allowed 'Trans proline' 0 N--CA 1.449 -1.089 0 C-N-CA 122.426 2.084 . . . . 0.0 109.202 -179.272 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 19.4 mt -39.66 108.42 0.09 Allowed 'General case' 0 N--CA 1.454 -0.242 0 C-N-CA 126.325 1.85 . . . . 0.0 112.029 -176.15 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 4.2 p30 -66.07 173.19 3.2 Favored 'General case' 0 N--CA 1.444 -0.728 0 CA-C-O 122.415 1.102 . . . . 0.0 110.88 177.067 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 9' ' ' ALA . . . . . 0.441 ' CB ' ' HB3' ' A' ' 52' ' ' TYR . . . -38.75 -58.22 1.1 Allowed 'General case' 0 N--CA 1.444 -0.728 0 C-N-CA 126.295 1.838 . . . . 0.0 113.307 -178.729 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 10' ' ' PHE . . . . . . . . . . . . . 5.2 m-85 -71.33 -27.16 63.18 Favored 'General case' 0 N--CA 1.451 -0.394 0 O-C-N 121.53 -0.731 . . . . 0.0 111.055 -170.839 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 11' ' ' MET . . . . . . . . . . . . . 64.6 mmm -68.19 -43.52 77.93 Favored 'General case' 0 N--CA 1.453 -0.309 0 N-CA-C 108.387 -0.968 . . . . 0.0 108.387 178.705 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 67.3 mt -63.09 -44.79 94.76 Favored 'General case' 0 C--N 1.332 -0.18 0 O-C-N 121.482 -0.761 . . . . 0.0 110.16 173.747 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 33.8 t80 -52.79 -46.8 67.77 Favored 'General case' 0 C--O 1.232 0.16 0 N-CA-C 109.724 -0.473 . . . . 0.0 109.724 178.935 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 14' ' ' MET . . . . . . . . . . . . . 28.8 ttm -52.95 -63.64 1.08 Allowed 'General case' 0 N--CA 1.448 -0.556 0 C-N-CA 123.743 0.817 . . . . 0.0 110.124 171.575 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 4.1 mtpm? -48.31 -42.67 31.68 Favored 'General case' 0 CA--C 1.535 0.4 0 CA-C-N 119.096 0.862 . . . . 0.0 111.921 -176.155 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 48.9 mt-10 -70.43 -69.86 0.33 Allowed 'General case' 0 CA--C 1.536 0.434 0 C-N-CA 123.139 0.576 . . . . 0.0 112.025 179.957 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 17' ' ' MET . . . . . . . . . . . . . 13.4 mtp -79.91 -22.32 42.89 Favored 'General case' 0 C--O 1.23 0.077 0 N-CA-C 114.448 1.277 . . . . 0.0 114.448 -169.465 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 21.2 ttp85 -57.23 -38.32 73.61 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 119.163 0.892 . . . . 0.0 112.185 -171.585 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -52.4 -46.92 66.48 Favored 'General case' 0 CA--C 1.533 0.308 0 O-C-N 121.369 -0.832 . . . . 0.0 110.688 173.271 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 20' ' ' ASN . . . . . . . . . . . . . 12.4 t30 -62.34 -49.88 73.83 Favored 'General case' 0 N--CA 1.451 -0.382 0 N-CA-C 109.732 -0.47 . . . . 0.0 109.732 177.308 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 21' ' ' VAL . . . . . 0.421 HG13 HG21 ' A' ' 36' ' ' ILE . 43.8 t -49.0 -54.6 5.01 Favored 'Isoleucine or valine' 0 N--CA 1.461 0.099 0 CA-C-N 117.962 0.346 . . . . 0.0 110.918 176.177 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 43.1 t -56.3 -49.66 75.49 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.469 0 N-CA-C 108.085 -1.08 . . . . 0.0 108.085 -175.809 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -53.83 -52.76 59.34 Favored 'General case' 0 CA--C 1.537 0.467 0 N-CA-C 112.175 0.435 . . . . 0.0 112.175 175.159 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 41.1 mt-10 -62.03 -54.92 34.74 Favored 'General case' 0 CA--C 1.532 0.268 0 CA-C-O 121.434 0.635 . . . . 0.0 111.933 -177.013 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 87.3 p -79.71 -25.1 41.27 Favored 'General case' 0 CA--C 1.514 -0.412 0 N-CA-C 115.416 1.636 . . . . 0.0 115.416 -167.963 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 17.6 p 64.71 6.63 3.36 Favored 'General case' 0 C--N 1.32 -0.714 0 C-N-CA 127.03 2.132 . . . . 0.0 112.226 -168.814 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -79.43 159.13 27.16 Favored 'General case' 0 C--N 1.343 0.323 0 CA-C-N 118.668 0.667 . . . . 0.0 109.618 169.117 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 8.3 mptt -132.8 -44.44 0.88 Allowed 'General case' 0 N--CA 1.448 -0.526 0 C-N-CA 124.223 1.009 . . . . 0.0 109.294 176.411 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 2.7 mp0 -38.95 102.32 0.02 OUTLIER 'General case' 0 N--CA 1.452 -0.337 0 C-N-CA 127.584 2.354 . . . . 0.0 109.285 -174.728 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 9.3 t -52.62 -38.26 59.89 Favored 'General case' 0 N--CA 1.449 -0.518 0 N-CA-C 113.179 0.807 . . . . 0.0 113.179 -168.042 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -63.45 -37.73 88.41 Favored 'General case' 0 CA--C 1.535 0.375 0 CA-C-N 119.603 1.092 . . . . 0.0 112.504 178.939 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -69.43 -49.21 57.26 Favored 'General case' 0 N--CA 1.462 0.174 0 CA-C-O 122.447 1.118 . . . . 0.0 109.021 175.444 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 33' ' ' ILE . . . . . . . . . . . . . 4.6 mm -59.63 -35.72 61.16 Favored 'Isoleucine or valine' 0 CA--C 1.542 0.66 0 C-N-CA 124.725 1.21 . . . . 0.0 111.543 -177.356 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 3.8 m-80 -58.24 -45.91 86.92 Favored 'General case' 0 N--CA 1.462 0.141 0 C-N-CA 124.283 1.033 . . . . 0.0 111.351 169.816 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 40.1 mt-30 -66.22 -40.63 90.42 Favored 'General case' 0 N--CA 1.454 -0.245 0 O-C-N 121.874 -0.516 . . . . 0.0 110.441 178.142 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 36' ' ' ILE . . . . . 0.421 HG21 HG13 ' A' ' 21' ' ' VAL . 45.1 mt -51.21 -54.64 10.35 Favored 'Isoleucine or valine' 0 C--N 1.341 0.217 0 N-CA-C 109.627 -0.509 . . . . 0.0 109.627 170.605 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 16.2 mt -55.72 -44.58 77.63 Favored 'General case' 0 CA--C 1.534 0.361 0 CA-C-N 118.574 0.624 . . . . 0.0 111.433 176.601 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -49.65 -48.71 35.48 Favored Glycine 0 CA--C 1.529 0.939 0 N-CA-C 111.232 -0.747 . . . . 0.0 111.232 176.08 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -60.17 -62.66 1.71 Allowed 'General case' 0 N--CA 1.448 -0.549 0 O-C-N 122.217 -0.578 . . . . 0.0 110.272 172.28 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 51.1 mtt180 -54.72 -32.45 59.68 Favored 'General case' 0 C--N 1.338 0.091 0 C-N-CA 123.716 0.806 . . . . 0.0 112.893 -169.397 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 41' ' ' TRP . . . . . . . . . . . . . 55.8 t-105 -40.59 -43.37 1.88 Allowed 'General case' 0 CA--C 1.531 0.236 0 C-N-CA 123.382 0.673 . . . . 0.0 112.247 172.803 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 42' ' ' HIS . . . . . . . . . . . . . 75.6 m80 -59.1 -19.88 48.44 Favored 'General case' 0 CA--C 1.533 0.323 0 N-CA-C 112.873 0.694 . . . . 0.0 112.873 -174.713 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -79.1 -19.24 51.69 Favored 'General case' 0 CA--C 1.534 0.343 0 C-N-CA 123.071 0.548 . . . . 0.0 111.9 177.299 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 40.3 mt -62.87 128.54 36.36 Favored 'General case' 0 C--O 1.234 0.265 0 CA-C-N 118.943 0.792 . . . . 0.0 109.993 178.75 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 80.2 p -58.69 155.4 12.73 Favored 'General case' 0 N--CA 1.453 -0.277 0 N-CA-C 108.95 -0.759 . . . . 0.0 108.95 169.811 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -50.53 -35.68 30.67 Favored 'General case' 0 CA--C 1.534 0.33 0 O-C-N 121.731 -0.606 . . . . 0.0 110.957 175.45 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 50.1 mp0 -67.37 -50.05 61.39 Favored 'General case' 0 N--CA 1.452 -0.343 0 C-N-CA 123.563 0.745 . . . . 0.0 110.882 176.262 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 43.4 mt-10 -56.19 -43.91 78.92 Favored 'General case' 0 CA--C 1.531 0.22 0 O-C-N 122.007 -0.433 . . . . 0.0 110.581 175.189 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 71.8 mt-30 -56.78 -55.37 35.16 Favored 'General case' 0 N--CA 1.454 -0.231 0 N-CA-C 109.323 -0.621 . . . . 0.0 109.323 174.992 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -48.41 -44.75 35.26 Favored 'General case' 0 CA--C 1.534 0.355 0 C-N-CA 123.006 0.522 . . . . 0.0 111.66 178.778 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 5.5 pttt -45.28 -44.82 11.66 Favored 'General case' 0 CA--C 1.53 0.204 0 C-N-CA 123.435 0.694 . . . . 0.0 111.164 174.871 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 52' ' ' TYR . . . . . 0.441 ' HB3' ' CB ' ' A' ' 9' ' ' ALA . 40.0 m-85 -64.2 -34.81 78.94 Favored 'General case' 0 CA--C 1.514 -0.416 0 N-CA-C 112.832 0.678 . . . . 0.0 112.832 -179.028 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 53' ' ' TYR . . . . . . . . . . . . . 78.4 m-85 -74.19 -39.41 63.19 Favored 'General case' 0 N--CA 1.452 -0.361 0 N-CA-C 108.802 -0.814 . . . . 0.0 108.802 -177.999 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 42.4 mt-10 -54.76 -60.66 3.06 Favored 'General case' 0 CA--C 1.536 0.435 0 N-CA-C 109.416 -0.587 . . . . 0.0 109.416 169.62 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 5.6 mp -47.71 -50.86 23.93 Favored 'General case' 0 C--O 1.225 -0.208 0 C-N-CA 124.108 0.963 . . . . 0.0 113.399 175.405 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -53.16 -44.88 68.17 Favored 'General case' 0 CA--C 1.531 0.236 0 N-CA-C 109.645 -0.502 . . . . 0.0 109.645 178.48 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 77.3 mtp180 -65.5 -39.94 92.46 Favored 'General case' 0 CA--C 1.537 0.452 0 O-C-N 121.925 -0.485 . . . . 0.0 111.445 176.025 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 71.3 mmtt -56.5 -48.04 78.02 Favored 'General case' 0 CA--C 1.532 0.251 0 O-C-N 121.066 -1.021 . . . . 0.0 110.68 174.025 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 27.7 mm-40 -54.44 -49.76 69.24 Favored 'General case' 0 CA--C 1.531 0.236 0 C-N-CA 123.053 0.541 . . . . 0.0 110.039 173.022 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 60' ' ' ARG . . . . . . . . . . . . . 57.7 ttt-85 -51.51 -48.66 62.87 Favored 'General case' 0 CA--C 1.533 0.326 0 C-N-CA 124.456 1.103 . . . . 0.0 111.453 178.495 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 61' ' ' GLN . . . . . . . . . . . . . 36.0 mt-30 -64.73 -54.93 23.75 Favored 'General case' 0 CA--C 1.531 0.234 0 C-N-CA 122.951 0.5 . . . . 0.0 110.157 177.041 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 54.5 tp -47.98 -43.27 29.48 Favored 'General case' 0 CA--C 1.531 0.243 0 C-N-CA 124.233 1.013 . . . . 0.0 110.637 179.568 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 63' ' ' HIS . . . . . . . . . . . . . 3.1 t-80 -47.72 -38.05 14.45 Favored 'General case' 0 N--CA 1.455 -0.215 0 C-N-CA 125.223 1.409 . . . . 0.0 112.402 177.797 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 64' ' ' MET . . . . . . . . . . . . . 0.1 OUTLIER -60.21 -34.39 73.58 Favored 'General case' 0 N--CA 1.455 -0.188 0 C-N-CA 123.214 0.605 . . . . 0.0 110.586 179.613 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 65' ' ' GLN . . . . . . . . . . . . . 15.0 mt-30 -79.52 -45.33 19.49 Favored 'General case' 0 N--CA 1.45 -0.47 0 N-CA-C 109.23 -0.656 . . . . 0.0 109.23 177.334 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 31.3 mt -54.4 -41.49 69.32 Favored 'General case' 0 CA--C 1.531 0.24 0 C-N-CA 122.368 0.267 . . . . 0.0 110.984 178.576 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 67' ' ' TYR . . . . . 0.549 ' CD1' HD13 ' A' ' 3' ' ' ILE . 51.7 m-85 -135.84 97.5 12.5 Favored Pre-proline 0 N--CA 1.453 -0.288 0 C-N-CA 123.889 0.876 . . . . 0.0 109.585 -179.009 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 68' ' ' PRO . . . . . . . . . . . . . 50.7 Cg_exo -52.19 -61.62 0.48 Allowed 'Trans proline' 0 N--CA 1.455 -0.76 0 C-N-CA 123.218 2.612 . . . . 0.0 109.122 169.776 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . -80.89 66.3 3.79 Favored Glycine 0 C--N 1.338 0.657 0 N-CA-C 107.445 -2.262 . . . . 0.0 107.445 168.709 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 70' ' ' TRP . . . . . . . . . . . . . 7.4 t90 -59.55 101.47 0.11 Allowed 'General case' 0 N--CA 1.442 -0.841 0 N-CA-C 107.319 -1.363 . . . . 0.0 107.319 169.41 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 15.1 m -119.22 57.13 0.9 Allowed 'General case' 0 CA--C 1.54 0.583 0 CA-C-O 118.674 -0.679 . . . . 0.0 111.692 -172.478 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -41.49 -45.81 3.31 Favored 'General case' 0 N--CA 1.479 0.995 0 CA-C-N 119.933 1.242 . . . . 0.0 112.111 177.906 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 73' ' ' ARG . . . . . 0.641 ' H ' ' CD ' ' A' ' 73' ' ' ARG . 0.0 OUTLIER -49.7 -34.18 18.01 Favored 'General case' 0 N--CA 1.444 -0.773 0 C-N-CA 127.917 2.487 . . . . 0.0 111.993 -176.952 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 74' ' ' ASP . . . . . . . . . . . . . 10.5 t70 -63.71 -41.92 98.03 Favored 'General case' 0 CA--C 1.531 0.249 0 O-C-N 121.98 -0.45 . . . . 0.0 111.219 175.258 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 75' ' ' ASN . . . . . . . . . . . . . 1.0 OUTLIER -84.62 -32.81 23.52 Favored 'General case' 0 CA--C 1.529 0.151 0 C-N-CA 123.712 0.805 . . . . 0.0 110.744 -173.892 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 76' ' ' TYR . . . . . . . . . . . . . 86.1 t80 -50.42 123.89 9.52 Favored 'General case' 0 CA--C 1.534 0.35 0 C-N-CA 122.651 0.38 . . . . 0.0 111.946 -175.689 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 88.87 -10.97 70.51 Favored Glycine 0 CA--C 1.531 1.043 0 CA-C-O 118.596 -1.114 . . . . 0.0 114.207 178.145 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 11.8 mptt -81.74 -14.44 56.48 Favored 'General case' 0 CA--C 1.537 0.459 0 CA-C-N 119.935 1.867 . . . . 0.0 113.484 -169.931 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 58.0 mttm -63.65 133.12 53.09 Favored 'General case' 0 CA--C 1.534 0.353 0 CA-C-N 120.137 1.335 . . . . 0.0 107.941 169.656 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 36.4 mtmm -76.96 69.61 3.28 Favored 'General case' 0 CA--C 1.535 0.391 0 CA-C-O 121.479 0.656 . . . . 0.0 110.206 -175.877 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 22.0 ttmm -68.1 82.72 0.22 Allowed 'General case' 0 CA--C 1.535 0.37 0 C-N-CA 124.435 1.094 . . . . 0.0 112.007 -170.732 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 82' ' ' ARG . . . . . . . . . . . . . 57.0 mtt180 -39.16 -45.1 1.27 Allowed 'General case' 0 N--CA 1.466 0.334 0 C-N-CA 126.015 1.726 . . . . 0.0 112.173 171.99 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . 58.3 tttm -60.75 -31.53 70.86 Favored 'General case' 0 CA--C 1.533 0.309 0 C-N-CA 124.295 1.038 . . . . 0.0 111.873 -176.368 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 84' ' ' ARG . . . . . . . . . . . . . 80.9 mtp180 65.61 -64.54 0.19 Allowed 'General case' 0 CA--C 1.53 0.192 0 C-N-CA 126.643 1.977 . . . . 0.0 111.071 -172.042 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 41.8 mt-10 -72.3 74.81 1.0 Allowed 'General case' 0 N--CA 1.451 -0.383 0 C-N-CA 124.31 1.044 . . . . 0.0 110.76 -179.206 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 CA--C 1.528 0.125 0 C-N-CA 123.626 0.77 . . . . 0.0 110.594 169.851 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 1' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.528 2.106 1 O4'-C1'-N19 111.981 5.226 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 2' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.414 -2.91 0 O4'-C1'-C2' 102.69 -3.1 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' B' B ' 3' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.415 -2.811 0 P-O3'-C3' 123.667 3.306 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' B' B ' 4' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.416 -2.74 0 P-O3'-C3' 123.691 3.326 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' B' B ' 5' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.41 -3.248 0 C4'-C3'-C2' 100.092 -3.108 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' B' B ' 6' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.412 -3.065 0 O4'-C1'-N19 109.26 1.826 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' B' B ' 7' ' ' ' DT' . . . . . 0.426 " H2'" ' C6 ' ' B' ' 8' ' ' ' DT' . . . . . . . . 0 C5'--C4' 1.532 2.567 0 C4'-C3'-C2' 100.259 -2.941 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 8' ' ' ' DT' . . . . . 0.426 ' C6 ' " H2'" ' B' ' 7' ' ' ' DT' . . . . . . . . 0 O4'--C4' 1.412 -3.059 0 C3'-C2'-C1' 106.793 2.923 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 9' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.536 3.144 0 P-O3'-C3' 122.312 2.177 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' B' B ' 10' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.532 2.595 0 P-O3'-C3' 122.599 2.416 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' B' B ' 11' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.421 -2.241 1 O4'-C1'-N19 112.379 5.724 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 12' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.414 -2.881 4 O4'-C1'-N19 111.696 4.87 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 13' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.411 -3.158 1 O4'-C1'-N19 111.158 4.197 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 14' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.416 -2.736 0 O4'-C1'-N19 110.304 3.13 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' B' B ' 15' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.411 -3.181 0 O4'-C1'-N19 109.977 2.721 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' C' C ' 1' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.415 -2.804 1 O4'-C1'-N19 112.229 5.536 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' C' C ' 2' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.533 2.727 0 O4'-C1'-N19 110.289 3.111 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' C' C ' 3' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.414 -2.904 2 O4'-C1'-N19 114.672 8.59 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' C' C ' 4' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.533 2.779 0 O4'-C1'-N19 110.173 2.967 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' C' C ' 5' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.417 -2.608 0 O4'-C1'-N19 110.449 3.311 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' C' C ' 6' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.417 -2.634 0 O4'-C1'-C2' 102.637 -3.148 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' C' C ' 7' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.413 -2.973 0 O4'-C4'-C3' 108.867 3.267 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' C' C ' 8' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.406 -3.635 0 C4'-C3'-C2' 99.487 -3.713 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' C' C ' 9' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.411 -3.225 0 C5'-C4'-C3' 111.194 -2.337 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' C' C ' 10' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.415 -2.853 1 O4'-C1'-N19 111.316 4.395 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' C' C ' 11' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.534 2.918 0 O4'-C4'-C3' 108.06 2.46 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' C' C ' 12' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.533 2.787 0 O3'-P-O5' 98.988 -2.638 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' C' C ' 13' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.414 -2.91 1 O4'-C1'-N19 111.405 4.507 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' C' C ' 14' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.411 -3.173 0 O4'-C1'-N19 110.236 3.046 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' C' C ' 15' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.534 2.816 1 O4'-C1'-N19 112.213 5.516 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 14.4 tpt . . . . . 0 N--CA 1.452 -0.338 0 CA-C-O 121.047 0.451 . . . . 0.0 109.785 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A ' 2' ' ' HIS . . . . . . . . . . . . . 4.8 m-70 -72.37 73.04 0.98 Allowed 'General case' 0 N--CA 1.455 -0.214 0 C-N-CA 123.858 0.863 . . . . 0.0 109.727 176.211 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . 62.9 mt -78.4 115.52 20.64 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.253 0 N-CA-C 106.676 -1.602 . . . . 0.0 106.676 175.715 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -55.69 153.82 7.62 Favored 'General case' 0 CA--C 1.536 0.425 0 C-N-CA 124.759 1.224 . . . . 0.0 111.665 -173.178 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 14.3 mptt -77.58 159.41 77.04 Favored Pre-proline 0 CA--C 1.532 0.281 0 C-N-CA 124.186 0.994 . . . . 0.0 109.874 179.116 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 74.4 Cg_endo -68.26 92.35 0.4 Allowed 'Trans proline' 0 N--CA 1.45 -1.056 0 C-N-CA 122.288 1.992 . . . . 0.0 108.975 170.263 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 9.5 mp -39.72 118.75 0.89 Allowed 'General case' 0 CA--C 1.53 0.182 0 C-N-CA 124.877 1.271 . . . . 0.0 112.204 174.31 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 5.9 p30 -75.09 179.22 5.14 Favored 'General case' 0 N--CA 1.446 -0.673 0 CA-C-O 122.287 1.042 . . . . 0.0 111.825 177.363 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 9' ' ' ALA . . . . . 0.418 ' CB ' ' HB3' ' A' ' 52' ' ' TYR . . . -38.55 -62.9 0.55 Allowed 'General case' 0 N--CA 1.447 -0.58 0 C-N-CA 126.714 2.006 . . . . 0.0 113.408 179.644 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 10' ' ' PHE . . . . . . . . . . . . . 5.4 m-85 -71.34 -25.88 62.58 Favored 'General case' 0 N--CA 1.453 -0.284 0 O-C-N 121.456 -0.777 . . . . 0.0 111.155 -170.554 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 11' ' ' MET . . . . . . . . . . . . . 65.2 mmm -67.74 -41.3 83.6 Favored 'General case' 0 N--CA 1.454 -0.267 0 N-CA-C 108.755 -0.832 . . . . 0.0 108.755 177.231 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 59.7 mt -64.73 -44.43 90.19 Favored 'General case' 0 C--O 1.231 0.091 0 O-C-N 121.661 -0.649 . . . . 0.0 110.062 173.107 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 27.3 t80 -52.43 -46.04 66.22 Favored 'General case' 0 N--CA 1.462 0.174 0 N-CA-C 109.353 -0.61 . . . . 0.0 109.353 178.158 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 14' ' ' MET . . . . . . . . . . . . . 30.2 ttm -55.51 -63.96 1.0 Allowed 'General case' 0 N--CA 1.445 -0.723 0 CA-C-O 118.459 -0.781 . . . . 0.0 110.31 171.816 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 1.5 mtpm? -48.3 -42.1 30.02 Favored 'General case' 0 CA--C 1.534 0.342 0 CA-C-N 120.015 1.28 . . . . 0.0 112.191 -175.539 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 49.3 mt-10 -70.03 -66.75 0.55 Allowed 'General case' 0 CA--C 1.535 0.392 0 C-N-CA 123.169 0.588 . . . . 0.0 111.947 179.225 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 17' ' ' MET . . . . . . . . . . . . . 14.5 mtp -86.42 -23.83 25.92 Favored 'General case' 0 C--O 1.226 -0.171 0 N-CA-C 114.92 1.452 . . . . 0.0 114.92 -168.849 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 18' ' ' ARG . . . . . 0.426 ' HG2' ' CG2' ' A' ' 33' ' ' ILE . 7.6 tmm_? -55.45 -42.26 74.0 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-N 119.608 1.095 . . . . 0.0 111.362 -175.851 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -53.88 -46.68 71.4 Favored 'General case' 0 CA--C 1.533 0.324 0 O-C-N 122.026 -0.421 . . . . 0.0 110.634 172.045 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 20' ' ' ASN . . . . . . . . . . . . . 9.9 t30 -61.99 -47.36 85.18 Favored 'General case' 0 C--O 1.222 -0.389 0 N-CA-C 109.905 -0.406 . . . . 0.0 109.905 177.904 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 73.8 t -51.55 -53.55 15.89 Favored 'Isoleucine or valine' 0 N--CA 1.46 0.055 0 CA-C-N 118.856 0.753 . . . . 0.0 110.499 175.539 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 55.0 t -59.01 -37.28 66.75 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.369 0 C-N-CA 122.679 0.392 . . . . 0.0 110.412 -178.735 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -65.51 -47.55 75.58 Favored 'General case' 0 CA--C 1.539 0.523 0 O-C-N 121.806 -0.559 . . . . 0.0 112.367 173.528 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 85.3 mt-10 -67.82 -55.72 11.9 Favored 'General case' 0 CA--C 1.53 0.199 0 CA-C-O 121.415 0.626 . . . . 0.0 111.465 -176.166 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 53.5 p -86.98 176.61 7.56 Favored 'General case' 0 N--CA 1.449 -0.503 0 C-N-CA 124.56 1.144 . . . . 0.0 111.582 -168.881 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 4.3 p -82.75 -10.4 58.91 Favored 'General case' 0 N--CA 1.445 -0.676 0 C-N-CA 123.784 0.834 . . . . 0.0 110.716 169.552 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 4.1 mm? -80.91 157.19 25.68 Favored 'General case' 0 N--CA 1.446 -0.642 0 CA-C-O 122.213 1.006 . . . . 0.0 112.784 -171.036 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 2.0 mptp? -144.77 -33.75 0.37 Allowed 'General case' 0 N--CA 1.454 -0.267 0 CA-C-N 113.162 -1.835 . . . . 0.0 110.973 169.465 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 42.3 mt-10 -53.95 113.75 1.34 Allowed 'General case' 0 C--N 1.343 0.287 0 N-CA-C 108.287 -1.005 . . . . 0.0 108.287 -172.346 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 18.1 t -52.79 -46.28 67.54 Favored 'General case' 0 N--CA 1.45 -0.441 0 O-C-N 123.577 0.548 . . . . 0.0 110.966 -169.098 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -56.26 -38.53 71.28 Favored 'General case' 0 CA--C 1.533 0.32 0 O-C-N 121.088 -1.007 . . . . 0.0 113.588 179.731 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -72.97 -50.61 22.29 Favored 'General case' 0 CA--C 1.528 0.113 0 O-C-N 121.397 -0.814 . . . . 0.0 109.207 176.429 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 33' ' ' ILE . . . . . 0.426 ' CG2' ' HG2' ' A' ' 18' ' ' ARG . 8.5 mm -52.29 -35.07 19.13 Favored 'Isoleucine or valine' 0 CA--C 1.543 0.692 0 C-N-CA 125.36 1.464 . . . . 0.0 112.078 178.541 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 81.9 m-20 -75.94 -33.6 59.83 Favored 'General case' 0 C--N 1.332 -0.177 0 C-N-CA 124.445 1.098 . . . . 0.0 110.123 -178.86 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 40.7 mt-30 -69.15 -40.71 78.03 Favored 'General case' 0 CA--C 1.532 0.272 0 O-C-N 121.898 -0.501 . . . . 0.0 109.986 169.793 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 17.5 mt -50.88 -53.42 13.89 Favored 'Isoleucine or valine' 0 C--N 1.342 0.26 0 N-CA-C 108.892 -0.781 . . . . 0.0 108.892 169.964 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 14.2 mt -57.45 -44.13 84.51 Favored 'General case' 0 CA--C 1.535 0.375 0 O-C-N 121.408 -0.807 . . . . 0.0 111.187 177.3 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -46.57 -48.44 17.05 Favored Glycine 0 CA--C 1.532 1.119 0 N-CA-C 111.535 -0.626 . . . . 0.0 111.535 172.172 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 3.7 tmm_? -62.88 -58.96 5.58 Favored 'General case' 0 N--CA 1.446 -0.669 0 O-C-N 121.945 -0.738 . . . . 0.0 110.912 173.371 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 19.5 mtp180 -58.64 -28.95 66.15 Favored 'General case' 0 N--CA 1.461 0.077 0 C-N-CA 123.678 0.791 . . . . 0.0 112.2 -168.923 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 41' ' ' TRP . . . . . . . . . . . . . 63.8 t-105 -41.97 -42.82 2.92 Favored 'General case' 0 N--CA 1.451 -0.384 0 C-N-CA 123.265 0.626 . . . . 0.0 112.222 169.682 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 42' ' ' HIS . . . . . . . . . . . . . 73.4 m80 -59.16 -20.92 58.0 Favored 'General case' 0 CA--C 1.533 0.327 0 C-N-CA 124.083 0.953 . . . . 0.0 112.817 -176.358 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -79.12 -18.76 52.64 Favored 'General case' 0 CA--C 1.533 0.293 0 CA-C-N 118.247 0.476 . . . . 0.0 111.62 177.227 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 34.2 mt -67.15 125.95 27.66 Favored 'General case' 0 N--CA 1.454 -0.254 0 CA-C-N 118.725 0.693 . . . . 0.0 110.022 178.926 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 79.6 p -57.69 159.84 4.89 Favored 'General case' 0 CA--C 1.531 0.24 0 N-CA-C 109.4 -0.593 . . . . 0.0 109.4 169.203 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 4.1 mmp_? -49.13 -38.86 26.44 Favored 'General case' 0 CA--C 1.531 0.246 0 O-C-N 122.019 -0.425 . . . . 0.0 111.589 175.695 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 51.7 mp0 -67.57 -50.7 57.2 Favored 'General case' 0 N--CA 1.45 -0.428 0 C-N-CA 123.652 0.781 . . . . 0.0 110.821 178.717 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 33.7 mt-10 -55.67 -43.64 76.52 Favored 'General case' 0 C--O 1.226 -0.174 0 O-C-N 122.268 -0.27 . . . . 0.0 110.607 175.602 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 69.6 mt-30 -57.05 -58.94 5.96 Favored 'General case' 0 N--CA 1.454 -0.25 0 N-CA-C 109.088 -0.708 . . . . 0.0 109.088 174.567 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -47.32 -43.01 22.4 Favored 'General case' 0 C--O 1.235 0.297 0 C-N-CA 123.8 0.84 . . . . 0.0 112.111 -178.91 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -46.54 -42.17 15.37 Favored 'General case' 0 CA--C 1.533 0.289 0 C-N-CA 122.904 0.482 . . . . 0.0 111.276 176.974 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 52' ' ' TYR . . . . . 0.418 ' HB3' ' CB ' ' A' ' 9' ' ' ALA . 44.1 m-85 -63.66 -35.49 80.7 Favored 'General case' 0 N--CA 1.453 -0.306 0 N-CA-C 112.949 0.722 . . . . 0.0 112.949 -179.217 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 53' ' ' TYR . . . . . . . . . . . . . 40.1 m-85 -71.46 -40.0 70.58 Favored 'General case' 0 N--CA 1.452 -0.338 0 N-CA-C 107.547 -1.279 . . . . 0.0 107.547 -176.488 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 79.3 mm-40 -57.61 -60.97 2.86 Favored 'General case' 0 CA--C 1.533 0.299 0 N-CA-C 109.905 -0.406 . . . . 0.0 109.905 169.536 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 6.1 mp -45.48 -50.16 12.95 Favored 'General case' 0 C--O 1.224 -0.257 0 C-N-CA 124.401 1.08 . . . . 0.0 113.38 177.211 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -51.66 -45.13 63.28 Favored 'General case' 0 CA--C 1.536 0.41 0 CA-C-O 121.227 0.537 . . . . 0.0 109.852 177.504 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 41.5 mtt85 -68.22 -38.45 81.91 Favored 'General case' 0 CA--C 1.534 0.334 0 O-C-N 121.941 -0.474 . . . . 0.0 111.209 177.389 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 30.6 mmtm -58.9 -43.69 91.05 Favored 'General case' 0 CA--C 1.534 0.34 0 CA-C-N 119.646 1.112 . . . . 0.0 111.116 172.892 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 30.8 mm-40 -59.4 -46.14 89.54 Favored 'General case' 0 CA--C 1.53 0.179 0 C-N-CA 123.048 0.539 . . . . 0.0 110.242 174.088 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 60' ' ' ARG . . . . . . . . . . . . . 66.4 ttt-85 -55.21 -52.97 61.65 Favored 'General case' 0 CA--C 1.539 0.546 0 C-N-CA 123.478 0.711 . . . . 0.0 110.99 175.782 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 61' ' ' GLN . . . . . . . . . . . . . 29.6 mt-30 -57.41 -52.16 66.51 Favored 'General case' 0 CA--C 1.529 0.15 0 C-N-CA 124.475 1.11 . . . . 0.0 110.163 179.089 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 51.8 tp -50.16 -53.46 27.53 Favored 'General case' 0 N--CA 1.454 -0.258 0 N-CA-C 108.739 -0.837 . . . . 0.0 108.739 175.041 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 63' ' ' HIS . . . . . . . . . . . . . 1.7 t-80 -52.88 -45.03 67.29 Favored 'General case' 0 N--CA 1.449 -0.488 0 C-N-CA 123.038 0.535 . . . . 0.0 111.486 -179.908 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 64' ' ' MET . . . . . . . . . . . . . 85.6 mtp -62.23 -31.36 71.9 Favored 'General case' 0 CA--C 1.534 0.334 0 CA-C-N 118.039 0.382 . . . . 0.0 112.0 176.227 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 65' ' ' GLN . . . . . . . . . . . . . 13.0 mt-30 -78.09 -49.14 14.51 Favored 'General case' 0 CA--C 1.529 0.171 0 O-C-N 121.539 -0.726 . . . . 0.0 109.103 -178.726 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 74.4 mt -57.96 -44.41 87.01 Favored 'General case' 0 N--CA 1.453 -0.29 0 C-N-CA 124.173 0.989 . . . . 0.0 110.691 176.106 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 67' ' ' TYR . . . . . . . . . . . . . 78.6 m-85 -129.09 83.54 65.65 Favored Pre-proline 0 C--O 1.236 0.39 0 C-N-CA 124.442 1.097 . . . . 0.0 109.866 -177.359 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 68' ' ' PRO . . . . . . . . . . . . . 71.6 Cg_endo -71.51 75.84 1.94 Allowed 'Trans proline' 0 N--CA 1.454 -0.83 0 C-N-CA 123.436 2.758 . . . . 0.0 109.349 178.305 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . 124.62 25.27 1.61 Allowed Glycine 0 CA--C 1.527 0.804 0 C-N-CA 125.71 1.624 . . . . 0.0 112.527 -174.764 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 70' ' ' TRP . . . . . . . . . . . . . 5.7 t90 -56.78 127.67 32.76 Favored 'General case' 0 C--N 1.342 0.28 0 CA-C-N 119.528 1.664 . . . . 0.0 107.938 168.635 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 48.5 m -58.67 130.78 48.49 Favored 'General case' 0 N--CA 1.437 -1.098 0 N-CA-C 114.377 1.251 . . . . 0.0 114.377 -176.574 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 72' ' ' ALA . . . . . 0.828 ' HB1' " H5'" ' B' ' 12' ' ' ' DG' . . . -63.5 139.78 58.8 Favored 'General case' 0 N--CA 1.435 -1.221 1 N-CA-C 99.218 -4.364 . . . . 0.0 99.218 163.501 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 73' ' ' ARG . . . . . 0.737 ' H ' ' CD ' ' A' ' 73' ' ' ARG 0.288 0.0 OUTLIER -31.5 91.83 0.01 OUTLIER 'General case' 0 C--N 1.313 -0.986 0 N-CA-C 118.969 2.951 . . . . 0.0 118.969 -160.092 . . . . . . . . 4 4 . 1 . 006 nuclear nobuild full ' A' A ' 74' ' ' ASP . . . . . . . . . . . . . 23.0 p-10 -80.96 -39.1 26.6 Favored 'General case' 0 CA--C 1.537 0.448 0 N-CA-C 104.549 -2.389 . . . . 0.0 104.549 165.315 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 75' ' ' ASN . . . . . . . . . . . . . 43.1 m-80 -79.1 51.18 1.13 Allowed 'General case' 0 CA--C 1.534 0.329 0 C-N-CA 126.072 1.749 . . . . 0.0 109.876 173.804 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 76' ' ' TYR . . . . . . . . . . . . . 27.0 t80 -90.96 147.22 23.25 Favored 'General case' 0 CA--C 1.531 0.24 0 N-CA-C 107.604 -1.258 . . . . 0.0 107.604 169.673 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 54.98 44.94 82.98 Favored Glycine 0 CA--C 1.534 1.264 0 CA-C-N 118.973 0.806 . . . . 0.0 112.603 178.544 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 48.6 mmtm -100.74 -48.37 4.51 Favored 'General case' 0 CA--C 1.527 0.078 0 C-N-CA 124.662 1.185 . . . . 0.0 108.763 172.899 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 49.7 mttm -73.46 135.96 44.17 Favored 'General case' 0 N--CA 1.452 -0.327 0 N-CA-C 104.831 -2.285 . . . . 0.0 104.831 167.799 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 92.4 mttt -69.76 149.27 48.16 Favored 'General case' 0 N--CA 1.453 -0.283 0 N-CA-C 108.297 -1.001 . . . . 0.0 108.297 172.421 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 29.4 tptp -129.91 149.82 51.47 Favored 'General case' 0 CA--C 1.53 0.185 0 C-N-CA 125.091 1.356 . . . . 0.0 108.078 -169.962 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 82' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -105.19 -94.02 0.35 Allowed 'General case' 0 CA--C 1.532 0.265 0 C-N-CA 125.218 1.407 . . . . 0.0 110.453 -169.946 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -75.93 72.73 2.81 Favored 'General case' 0 CA--C 1.533 0.3 0 N-CA-C 112.963 0.727 . . . . 0.0 112.963 -169.751 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 84' ' ' ARG . . . . . . . . . . . . . 70.6 ttp85 -55.7 131.82 47.55 Favored 'General case' 0 CA--C 1.535 0.394 0 N-CA-C 106.82 -1.548 . . . . 0.0 106.82 168.494 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 1.3 pm0 -78.79 52.49 1.23 Allowed 'General case' 0 CA--C 1.538 0.487 0 C-N-CA 123.555 0.742 . . . . 0.0 112.61 -169.701 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 8.6 mtmp? . . . . . 0 C--O 1.233 0.232 0 C-N-CA 125.156 1.382 . . . . 0.0 111.362 177.69 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' B' B ' 1' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.53 2.437 2 O4'-C1'-N19 111.91 5.137 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 2' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.535 2.977 0 P-O3'-C3' 123.669 3.307 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' B' B ' 3' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.417 -2.639 0 P-O3'-C3' 123.053 2.794 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' B' B ' 4' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.412 -3.09 0 O4'-C4'-C3' 108.508 2.908 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' B' B ' 5' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.406 -3.675 0 P-O3'-C3' 122.876 2.646 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' B' B ' 6' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.407 -3.551 0 C4'-C3'-C2' 100.616 -2.584 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' B' B ' 7' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.418 -2.562 0 C4'-C3'-C2' 100.129 -3.071 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' B' B ' 8' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.408 -3.461 0 O4'-C4'-C3' 108.517 2.917 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' B' B ' 9' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.417 -2.599 0 P-O3'-C3' 123.346 3.038 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' B' B ' 10' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.533 2.741 0 P-O3'-C3' 122.947 2.706 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' B' B ' 11' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.422 -2.17 2 O4'-C1'-N19 114.743 8.679 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 12' ' ' ' DG' . . . . . 0.828 " H5'" ' HB1' ' A' ' 72' ' ' ALA . . . . . . . . 0 P--O5' 1.617 2.421 4 O4'-C1'-N19 112.534 5.918 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 13' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.41 -3.301 1 O4'-C1'-N19 111.638 4.797 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 14' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.533 2.787 0 O4'-C1'-N19 110.6 3.5 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' B' B ' 15' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.41 -3.268 0 O4'-C1'-N19 109.886 2.607 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' C' C ' 1' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.415 -2.803 1 O4'-C1'-N19 112.151 5.438 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' C' C ' 2' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.531 2.514 0 O4'-C1'-N19 110.181 2.976 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' C' C ' 3' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.418 -2.563 2 O4'-C1'-N19 115.789 9.986 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' C' C ' 4' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.534 2.859 0 O4'-C1'-N19 109.752 2.44 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' C' C ' 5' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.412 -3.129 1 O4'-C1'-N19 113.075 6.594 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' C' C ' 6' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.419 -2.477 0 O4'-C1'-C2' 102.003 -3.725 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' C' C ' 7' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.415 -2.811 0 O4'-C4'-C3' 109.369 3.769 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' C' C ' 8' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.407 -3.52 1 C4'-C3'-C2' 98.585 -4.615 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' C' C ' 9' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.411 -3.139 0 C5'-C4'-C3' 111.03 -2.447 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' C' C ' 10' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.416 -2.767 1 O4'-C1'-N19 111.466 4.582 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' C' C ' 11' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.531 2.526 1 O4'-C1'-N19 111.717 4.896 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' C' C ' 12' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.531 2.466 0 O3'-P-O5' 98.621 -2.831 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' C' C ' 13' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.417 -2.671 0 O4'-C4'-C3' 108.071 2.471 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' C' C ' 14' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.411 -3.168 0 O4'-C1'-N19 110.544 3.43 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' C' C ' 15' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.531 2.539 0 O4'-C1'-N19 110.983 3.978 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 23.5 ptm . . . . . 0 CA--C 1.534 0.336 0 CA-C-O 121.262 0.553 . . . . 0.0 111.198 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' 2' ' ' HIS . . . . . . . . . . . . . 4.7 m-70 -70.55 78.67 0.58 Allowed 'General case' 0 N--CA 1.457 -0.109 0 N-CA-C 108.439 -0.949 . . . . 0.0 108.439 172.76 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . 11.7 mt -77.74 129.69 37.13 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.39 0 N-CA-C 107.269 -1.382 . . . . 0.0 107.269 -172.58 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -59.99 143.2 52.38 Favored 'General case' 0 N--CA 1.451 -0.422 0 CA-C-N 116.383 -0.371 . . . . 0.0 110.109 -172.392 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -67.1 158.32 81.75 Favored Pre-proline 0 CA--C 1.534 0.332 0 N-CA-C 109.385 -0.598 . . . . 0.0 109.385 178.577 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 57.0 Cg_endo -66.55 94.3 0.32 Allowed 'Trans proline' 0 N--CA 1.449 -1.098 0 C-N-CA 121.362 1.374 . . . . 0.0 109.0 169.924 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 9.5 mp -39.72 127.8 2.01 Favored 'General case' 0 C--O 1.231 0.091 0 C-N-CA 125.21 1.404 . . . . 0.0 112.448 176.203 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 5.7 p30 -86.13 -179.03 6.66 Favored 'General case' 0 N--CA 1.446 -0.66 0 CA-C-O 122.089 0.947 . . . . 0.0 112.023 -178.435 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -38.89 -63.34 0.53 Allowed 'General case' 0 N--CA 1.449 -0.484 0 C-N-CA 126.956 2.102 . . . . 0.0 113.712 178.57 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 10' ' ' PHE . . . . . . . . . . . . . 5.3 m-85 -71.69 -22.6 61.63 Favored 'General case' 0 N--CA 1.451 -0.378 0 O-C-N 121.361 -0.837 . . . . 0.0 111.538 -169.651 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 11' ' ' MET . . . . . . . . . . . . . 54.5 mmm -66.55 -45.23 80.06 Favored 'General case' 0 N--CA 1.455 -0.195 0 N-CA-C 108.44 -0.948 . . . . 0.0 108.44 176.693 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 11.0 mt -61.43 -47.23 86.68 Favored 'General case' 0 CA--C 1.531 0.212 0 N-CA-C 109.382 -0.599 . . . . 0.0 109.382 174.859 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 45.5 t80 -52.4 -49.42 64.51 Favored 'General case' 0 N--CA 1.467 0.4 0 N-CA-C 109.939 -0.393 . . . . 0.0 109.939 179.871 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 14' ' ' MET . . . . . . . . . . . . . 18.4 ttm -53.16 -60.53 3.17 Favored 'General case' 0 N--CA 1.445 -0.695 0 C-N-CA 123.895 0.878 . . . . 0.0 109.935 172.553 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 35.8 mttm -47.57 -44.75 26.46 Favored 'General case' 0 CA--C 1.535 0.379 0 CA-C-N 119.514 1.052 . . . . 0.0 112.036 -178.199 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 45.1 mt-10 -69.48 -68.93 0.37 Allowed 'General case' 0 CA--C 1.537 0.444 0 C-N-CA 122.716 0.406 . . . . 0.0 111.986 179.893 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 17' ' ' MET . . . . . . . . . . . . . 10.0 mtp -79.96 -22.27 42.8 Favored 'General case' 0 N--CA 1.457 -0.087 0 N-CA-C 114.558 1.318 . . . . 0.0 114.558 -169.251 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 24.2 ttp85 -58.87 -39.45 81.39 Favored 'General case' 0 N--CA 1.452 -0.333 0 CA-C-N 119.41 1.005 . . . . 0.0 111.566 -175.303 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -53.35 -46.95 69.73 Favored 'General case' 0 CA--C 1.53 0.189 0 O-C-N 121.754 -0.591 . . . . 0.0 110.205 173.897 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 20' ' ' ASN . . . . . . . . . . . . . 10.2 t30 -59.65 -52.96 63.3 Favored 'General case' 0 C--O 1.222 -0.385 0 CA-C-O 119.047 -0.501 . . . . 0.0 109.756 175.56 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 52.1 t -47.36 -54.5 2.89 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.254 0 CA-C-N 118.848 0.749 . . . . 0.0 111.114 177.08 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 55.6 t -62.43 -36.36 74.42 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.445 0 C-N-CA 123.447 0.699 . . . . 0.0 110.156 -176.314 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -65.31 -47.24 77.28 Favored 'General case' 0 CA--C 1.537 0.464 0 O-C-N 121.863 -0.523 . . . . 0.0 112.33 172.93 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 19.7 mt-10 -69.24 -53.49 19.59 Favored 'General case' 0 CA--C 1.53 0.191 0 O-C-N 121.921 -0.487 . . . . 0.0 111.143 -176.117 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 54.6 p -83.22 172.36 12.68 Favored 'General case' 0 N--CA 1.451 -0.4 0 C-N-CA 124.059 0.944 . . . . 0.0 110.366 -172.098 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 4.2 p -81.89 -12.59 58.36 Favored 'General case' 0 N--CA 1.45 -0.446 0 C-N-CA 123.424 0.69 . . . . 0.0 111.265 170.322 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -86.06 159.89 19.45 Favored 'General case' 0 N--CA 1.45 -0.473 0 CA-C-O 122.134 0.969 . . . . 0.0 113.287 -169.44 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 1.5 mptp? -141.7 -39.47 0.38 Allowed 'General case' 0 CA--C 1.531 0.222 0 C-N-CA 125.957 1.703 . . . . 0.0 109.971 174.991 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 3.0 mp0 -39.37 106.63 0.06 Allowed 'General case' 0 C--O 1.238 0.482 0 C-N-CA 126.963 2.105 . . . . 0.0 110.911 -179.402 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 24.3 t -76.76 73.88 3.41 Favored 'General case' 0 N--CA 1.452 -0.356 0 CA-C-O 121.744 0.783 . . . . 0.0 109.096 -173.782 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -168.92 -50.44 0.02 OUTLIER 'General case' 0 C--N 1.327 -0.391 0 N-CA-C 105.654 -1.98 . . . . 0.0 105.654 170.119 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -63.08 -47.58 82.3 Favored 'General case' 0 N--CA 1.453 -0.315 0 N-CA-C 107.58 -1.267 . . . . 0.0 107.58 168.115 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 33' ' ' ILE . . . . . . . . . . . . . 8.0 mm -57.31 -39.36 67.36 Favored 'Isoleucine or valine' 0 CA--C 1.538 0.49 0 C-N-CA 123.455 0.702 . . . . 0.0 111.609 174.216 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 81.4 m-20 -71.46 -35.58 70.92 Favored 'General case' 0 N--CA 1.463 0.182 0 O-C-N 121.202 -0.936 . . . . 0.0 110.882 -178.963 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 32.1 mt-30 -65.04 -41.5 95.14 Favored 'General case' 0 CA--C 1.534 0.364 0 O-C-N 121.686 -0.634 . . . . 0.0 111.066 169.75 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 16.1 mt -50.2 -53.84 10.31 Favored 'Isoleucine or valine' 0 C--N 1.343 0.29 0 N-CA-C 109.121 -0.696 . . . . 0.0 109.121 170.799 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 17.1 mt -56.38 -45.71 80.41 Favored 'General case' 0 CA--C 1.535 0.385 0 CA-C-N 118.678 0.672 . . . . 0.0 111.375 176.515 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -46.0 -48.74 14.17 Favored Glycine 0 CA--C 1.53 1.022 0 N-CA-C 111.552 -0.619 . . . . 0.0 111.552 174.19 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -63.26 -60.9 2.79 Favored 'General case' 0 N--CA 1.448 -0.559 0 C-N-CA 123.349 0.659 . . . . 0.0 110.762 173.326 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 83.8 mtt180 -56.24 -30.91 63.01 Favored 'General case' 0 N--CA 1.462 0.138 0 C-N-CA 124.02 0.928 . . . . 0.0 112.59 -169.454 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 41' ' ' TRP . . . . . . . . . . . . . 59.5 t-105 -39.69 -43.63 1.41 Allowed 'General case' 0 N--CA 1.453 -0.307 0 C-N-CA 123.444 0.698 . . . . 0.0 112.391 171.176 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 42' ' ' HIS . . . . . . . . . . . . . 75.9 m80 -59.77 -18.44 43.32 Favored 'General case' 0 CA--C 1.533 0.298 0 N-CA-C 113.056 0.762 . . . . 0.0 113.056 -174.422 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -79.15 -18.8 52.48 Favored 'General case' 0 CA--C 1.535 0.374 0 C-N-CA 123.008 0.523 . . . . 0.0 111.909 176.5 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 26.3 mt -63.82 130.7 45.24 Favored 'General case' 0 C--O 1.233 0.216 0 CA-C-N 119.023 0.829 . . . . 0.0 110.123 177.881 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 83.6 p -59.19 156.91 11.39 Favored 'General case' 0 CA--C 1.529 0.146 0 N-CA-C 108.875 -0.787 . . . . 0.0 108.875 169.507 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 4.2 mmp_? -53.32 -32.22 47.93 Favored 'General case' 0 CA--C 1.535 0.369 0 O-C-N 121.581 -0.7 . . . . 0.0 111.556 177.195 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 46.8 mp0 -69.93 -50.38 42.65 Favored 'General case' 0 N--CA 1.453 -0.285 0 C-N-CA 123.672 0.789 . . . . 0.0 110.648 176.626 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 42.0 mt-10 -55.39 -44.55 76.21 Favored 'General case' 0 CA--C 1.529 0.17 0 O-C-N 122.17 -0.331 . . . . 0.0 110.359 175.024 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 75.2 mt-30 -55.33 -59.59 4.58 Favored 'General case' 0 N--CA 1.452 -0.333 0 N-CA-C 108.976 -0.75 . . . . 0.0 108.976 173.902 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -45.77 -44.5 13.97 Favored 'General case' 0 CA--C 1.533 0.323 0 C-N-CA 123.895 0.878 . . . . 0.0 112.193 -179.253 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 6.6 pttt -44.46 -43.21 7.64 Favored 'General case' 0 CA--C 1.531 0.239 0 C-N-CA 123.173 0.589 . . . . 0.0 111.354 176.594 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 52' ' ' TYR . . . . . . . . . . . . . 49.2 m-85 -66.12 -36.5 83.33 Favored 'General case' 0 N--CA 1.452 -0.367 0 N-CA-C 112.94 0.719 . . . . 0.0 112.94 -178.062 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 53' ' ' TYR . . . . . . . . . . . . . 36.7 m-85 -69.28 -42.46 75.46 Favored 'General case' 0 N--CA 1.453 -0.305 0 N-CA-C 107.153 -1.425 . . . . 0.0 107.153 -178.349 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 42.8 mt-10 -54.15 -58.39 7.55 Favored 'General case' 0 CA--C 1.535 0.366 0 CA-C-N 116.147 -0.479 . . . . 0.0 109.805 169.837 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 1.3 mt -51.8 -57.93 7.91 Favored 'General case' 0 N--CA 1.464 0.225 0 C-N-CA 123.643 0.777 . . . . 0.0 111.194 -177.861 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -44.65 -49.91 10.1 Favored 'General case' 0 N--CA 1.453 -0.324 0 C-N-CA 124.223 1.009 . . . . 0.0 109.852 175.797 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 91.1 mtt-85 -66.03 -35.05 79.51 Favored 'General case' 0 CA--C 1.536 0.413 0 N-CA-C 113.046 0.758 . . . . 0.0 113.046 177.691 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 30.8 mmtp -56.5 -51.77 67.26 Favored 'General case' 0 CA--C 1.53 0.195 0 CA-C-N 119.557 1.071 . . . . 0.0 109.735 170.014 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 37.7 mm-40 -56.5 -47.89 78.33 Favored 'General case' 0 CA--C 1.535 0.374 0 C-N-CA 122.747 0.419 . . . . 0.0 110.699 177.096 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 60' ' ' ARG . . . . . . . . . . . . . 40.5 ttt180 -51.13 -54.94 20.59 Favored 'General case' 0 CA--C 1.531 0.231 0 C-N-CA 125.804 1.642 . . . . 0.0 110.228 178.847 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 61' ' ' GLN . . . . . . . . . . . . . 32.1 mt-30 -63.2 -53.33 54.88 Favored 'General case' 0 CA--C 1.53 0.183 0 C-N-CA 122.898 0.479 . . . . 0.0 110.443 178.635 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 43.8 tp -46.86 -49.64 19.85 Favored 'General case' 0 CA--C 1.527 0.095 0 C-N-CA 124.089 0.956 . . . . 0.0 110.097 179.912 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 63' ' ' HIS . . . . . . . . . . . . . 12.4 t-80 -53.26 -34.26 56.46 Favored 'General case' 0 CA--C 1.533 0.29 0 C-N-CA 123.942 0.897 . . . . 0.0 112.653 -179.483 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 64' ' ' MET . . . . . . . . . . . . . 74.3 mtp -65.92 -32.09 73.39 Favored 'General case' 0 CA--C 1.53 0.191 0 CA-C-N 118.672 0.669 . . . . 0.0 110.436 176.479 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 65' ' ' GLN . . . . . . . . . . . . . 15.9 mt-30 -78.83 -43.04 26.1 Favored 'General case' 0 N--CA 1.452 -0.347 0 N-CA-C 108.619 -0.882 . . . . 0.0 108.619 179.592 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 40.5 mt -59.53 -47.36 85.82 Favored 'General case' 0 CA--C 1.531 0.242 0 C-N-CA 122.418 0.287 . . . . 0.0 110.592 177.071 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 67' ' ' TYR . . . . . . . . . . . . . 76.6 m-85 -138.75 78.11 31.53 Favored Pre-proline 0 CA--C 1.533 0.293 0 C-N-CA 123.529 0.732 . . . . 0.0 111.289 -174.23 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 68' ' ' PRO . . . . . . . . . . . . . 84.4 Cg_exo -48.43 -41.41 36.18 Favored 'Trans proline' 0 N--CA 1.457 -0.648 0 C-N-CA 123.883 3.055 . . . . 0.0 112.862 177.568 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . -120.71 38.19 2.79 Favored Glycine 0 C--N 1.338 0.684 0 CA-C-O 119.496 -0.613 . . . . 0.0 113.278 -176.559 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 70' ' ' TRP . . . . . . . . . . . . . 3.8 t90 -64.78 111.45 2.79 Favored 'General case' 0 C--N 1.338 0.107 0 N-CA-C 105.592 -2.003 . . . . 0.0 105.592 168.083 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 1.3 m -55.53 105.47 0.18 Allowed 'General case' 0 N--CA 1.452 -0.339 0 N-CA-C 106.573 -1.64 . . . . 0.0 106.573 170.882 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -38.93 -61.85 0.69 Allowed 'General case' 0 N--CA 1.452 -0.335 0 O-C-N 124.542 1.151 . . . . 0.0 110.398 -168.607 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 73' ' ' ARG . . . . . 0.508 ' CG ' " H4'" ' B' ' 12' ' ' ' DG' 0.472 0.1 OUTLIER -92.03 30.7 1.37 Allowed 'General case' 0 N--CA 1.447 -0.607 0 N-CA-C 118.752 2.871 . . . . 0.0 118.752 -176.001 . . . . . . . . 4 4 . 1 . 007 nuclear nobuild full ' A' A ' 74' ' ' ASP . . . . . . . . . . . . . 14.6 t70 -49.77 -34.85 20.47 Favored 'General case' 0 CA--C 1.536 0.405 0 CA-C-O 121.789 0.804 . . . . 0.0 109.479 168.372 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 75' ' ' ASN . . . . . . . . . . . . . 1.9 m120 -79.22 -18.06 53.63 Favored 'General case' 0 CA--C 1.54 0.564 0 C-N-CA 125.712 1.605 . . . . 0.0 112.836 -174.37 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 76' ' ' TYR . . . . . . . . . . . . . 3.2 t80 -60.7 130.85 48.59 Favored 'General case' 0 N--CA 1.468 0.461 0 CA-C-N 120.1 1.318 . . . . 0.0 111.654 -168.437 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 62.24 10.43 28.05 Favored Glycine 0 CA--C 1.531 1.088 0 CA-C-O 118.952 -0.915 . . . . 0.0 113.881 -178.571 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 46.9 mmtm -76.75 -31.33 57.02 Favored 'General case' 0 C--N 1.34 0.192 0 CA-C-N 119.429 1.615 . . . . 0.0 109.894 176.792 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 40.2 mtmt -72.18 130.51 41.01 Favored 'General case' 0 N--CA 1.453 -0.279 0 N-CA-C 105.442 -2.059 . . . . 0.0 105.442 167.942 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 44.3 mmtm -75.01 81.35 2.21 Favored 'General case' 0 CA--C 1.533 0.317 0 CA-C-O 121.535 0.684 . . . . 0.0 109.989 -172.338 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 13.9 tppt? -63.38 76.22 0.03 OUTLIER 'General case' 0 CA--C 1.536 0.417 0 C-N-CA 126.839 2.056 . . . . 0.0 112.583 -172.866 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 82' ' ' ARG . . . . . . . . . . . . . 47.9 mtp180 -45.14 -39.99 6.61 Favored 'General case' 0 CA--C 1.534 0.35 0 C-N-CA 125.848 1.659 . . . . 0.0 112.117 170.856 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . 48.9 mtmt -62.9 -18.46 63.06 Favored 'General case' 0 CA--C 1.538 0.488 0 N-CA-C 113.293 0.849 . . . . 0.0 113.293 178.56 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 84' ' ' ARG . . . . . . . . . . . . . 82.8 mtt180 62.12 -146.11 0.4 Allowed 'General case' 0 CA--C 1.534 0.329 0 C-N-CA 125.164 1.386 . . . . 0.0 110.593 -176.165 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 35.9 mm-40 -69.66 70.57 0.31 Allowed 'General case' 0 CA--C 1.534 0.36 0 C-N-CA 125.191 1.396 . . . . 0.0 113.965 -168.939 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 41.0 mmtm . . . . . 0 CA--C 1.529 0.147 0 C-N-CA 124.707 1.203 . . . . 0.0 109.246 169.894 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' B' B ' 1' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.53 2.356 1 O4'-C1'-N19 111.301 4.376 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 2' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.534 2.815 0 O4'-C1'-N19 110.348 3.185 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' B' B ' 3' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.414 -2.865 0 C4'-C3'-C2' 99.906 -3.294 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' B' B ' 4' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.412 -3.077 1 P-O3'-C3' 124.862 4.302 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 5' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.409 -3.391 0 C4'-C3'-C2' 99.424 -3.776 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' B' B ' 6' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.413 -2.972 0 O4'-C1'-N19 109.407 2.009 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' B' B ' 7' ' ' ' DT' . . . . . 0.401 " H2'" ' C6 ' ' B' ' 8' ' ' ' DT' . . . . . . . . 0 O4'--C4' 1.418 -2.585 0 C4'-C3'-C2' 100.246 -2.954 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 8' ' ' ' DT' . . . . . 0.401 ' C6 ' " H2'" ' B' ' 7' ' ' ' DT' . . . . . . . . 0 O4'--C4' 1.407 -3.501 0 O4'-C4'-C3' 108.568 2.968 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 9' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.418 -2.531 0 P-O3'-C3' 123.397 3.081 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' B' B ' 10' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.531 2.554 0 P-O3'-C3' 123.495 3.163 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' B' B ' 11' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.53 2.399 1 O4'-C1'-N19 114.164 7.955 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 12' ' ' ' DG' . . . . . 0.508 " H4'" ' CG ' ' A' ' 73' ' ' ARG . . . . . . . . 0 O4'--C4' 1.415 -2.844 1 O4'-C4'-C3' 110.304 4.704 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 13' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.409 -3.384 1 O4'-C1'-N19 111.259 4.324 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 14' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.534 2.852 0 O4'-C1'-N19 110.383 3.229 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' B' B ' 15' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.41 -3.254 0 O4'-C1'-N19 109.904 2.63 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' C' C ' 1' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.415 -2.796 1 O4'-C1'-N19 112.148 5.435 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' C' C ' 2' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.532 2.591 0 O4'-C1'-N19 110.235 3.043 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' C' C ' 3' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.416 -2.725 2 O4'-C1'-N19 115.497 9.622 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' C' C ' 4' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.535 3.028 0 O4'-C4'-C3' 108.102 2.502 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' C' C ' 5' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.412 -3.136 1 O4'-C1'-N19 112.651 6.064 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' C' C ' 6' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.419 -2.441 0 O4'-C1'-N19 110.821 3.776 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' C' C ' 7' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.412 -3.114 0 O4'-C4'-C3' 109.497 3.897 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' C' C ' 8' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.406 -3.594 0 C4'-C3'-C2' 99.963 -3.237 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' C' C ' 9' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.536 3.097 0 P-O3'-C3' 122.041 1.951 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' C' C ' 10' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.41 -3.255 0 C1'-O4'-C4' 105.369 -3.094 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' C' C ' 11' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.534 2.893 1 O4'-C1'-N19 111.282 4.353 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' C' C ' 12' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.417 -2.647 0 O3'-P-O5' 98.738 -2.769 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' C' C ' 13' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.414 -2.921 0 O4'-C1'-N19 110.996 3.996 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' C' C ' 14' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.413 -2.989 0 P-O3'-C3' 122.9 2.667 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' C' C ' 15' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.412 -3.067 0 C4'-C3'-C2' 100.444 -2.756 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 6.5 tmm? . . . . . 0 N--CA 1.45 -0.473 0 N-CA-C 107.183 -1.414 . . . . 0.0 107.183 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A ' 2' ' ' HIS . . . . . . . . . . . . . 20.8 m-70 -67.28 92.74 0.29 Allowed 'General case' 0 CA--C 1.531 0.236 0 C-N-CA 124.066 0.946 . . . . 0.0 109.707 178.807 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . 95.5 mt -78.79 126.77 38.99 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.217 0 N-CA-C 106.669 -1.604 . . . . 0.0 106.669 172.839 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -61.54 159.32 13.24 Favored 'General case' 0 N--CA 1.45 -0.469 0 CA-C-N 115.729 -0.669 . . . . 0.0 112.005 -171.504 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 13.0 mptt -90.72 162.33 33.74 Favored Pre-proline 0 N--CA 1.454 -0.245 0 N-CA-C 106.983 -1.488 . . . . 0.0 106.983 169.034 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 52.1 Cg_exo -55.7 116.97 3.53 Favored 'Trans proline' 0 N--CA 1.448 -1.175 0 N-CA-C 108.409 -1.42 . . . . 0.0 108.409 168.664 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 9.1 mp -63.27 90.99 0.05 OUTLIER 'General case' 0 N--CA 1.454 -0.24 0 CA-C-O 122.331 1.063 . . . . 0.0 110.228 170.001 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 91.0 m-20 -57.23 169.08 0.62 Allowed 'General case' 0 N--CA 1.443 -0.797 0 CA-C-N 113.53 -1.668 . . . . 0.0 110.51 173.789 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -37.94 -66.17 0.28 Allowed 'General case' 0 N--CA 1.452 -0.352 0 C-N-CA 125.6 1.56 . . . . 0.0 115.045 -168.222 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 10' ' ' PHE . . . . . 0.404 ' CE1' " H4'" ' B' ' 8' ' ' ' DT' . 4.3 m-85 -67.18 -19.29 65.55 Favored 'General case' 0 N--CA 1.453 -0.292 0 O-C-N 121.355 -0.841 . . . . 0.0 112.356 -169.693 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 11' ' ' MET . . . . . . . . . . . . . 48.2 mmm -69.6 -33.92 73.36 Favored 'General case' 0 N--CA 1.455 -0.22 0 CA-C-N 118.716 0.689 . . . . 0.0 109.325 177.814 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 65.5 mt -76.48 -41.81 45.79 Favored 'General case' 0 CA--C 1.515 -0.378 0 N-CA-C 109.462 -0.57 . . . . 0.0 109.462 174.476 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 29.6 t80 -53.1 -47.82 68.28 Favored 'General case' 0 C--N 1.339 0.109 0 N-CA-C 109.086 -0.709 . . . . 0.0 109.086 177.06 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 14' ' ' MET . . . . . . . . . . . . . 28.6 ttm -53.55 -66.04 0.46 Allowed 'General case' 0 N--CA 1.444 -0.736 0 C-N-CA 124.282 1.033 . . . . 0.0 110.237 170.202 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 14.0 mmtt -43.55 -44.29 6.03 Favored 'General case' 0 CA--C 1.537 0.453 0 CA-C-N 119.484 1.038 . . . . 0.0 112.516 -176.695 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 48.0 mt-10 -71.18 -65.21 0.77 Allowed 'General case' 0 CA--C 1.536 0.424 0 C-N-CA 123.507 0.723 . . . . 0.0 111.97 179.252 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 17' ' ' MET . . . . . . . . . . . . . 12.3 mtp -81.44 -28.95 33.98 Favored 'General case' 0 C--O 1.227 -0.083 0 N-CA-C 114.489 1.292 . . . . 0.0 114.489 -168.984 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 7.7 tmm_? -55.31 -41.43 72.36 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 121.476 -0.765 . . . . 0.0 112.23 -169.424 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -55.42 -46.11 76.7 Favored 'General case' 0 CA--C 1.534 0.35 0 O-C-N 121.425 -0.797 . . . . 0.0 111.176 172.215 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 20' ' ' ASN . . . . . . . . . . . . . 7.7 t30 -63.3 -46.22 87.76 Favored 'General case' 0 N--CA 1.453 -0.296 0 N-CA-C 109.573 -0.528 . . . . 0.0 109.573 178.27 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 64.3 t -51.69 -54.4 12.82 Favored 'Isoleucine or valine' 0 CA--C 1.521 -0.155 0 CA-C-N 118.168 0.44 . . . . 0.0 110.404 175.031 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 41.7 t -52.99 -50.22 45.61 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.374 0 N-CA-C 108.718 -0.845 . . . . 0.0 108.718 -178.203 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -54.4 -51.88 63.47 Favored 'General case' 0 CA--C 1.538 0.492 0 N-CA-C 112.265 0.468 . . . . 0.0 112.265 176.019 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 50.8 mt-10 -63.13 -57.53 10.27 Favored 'General case' 0 CA--C 1.533 0.312 0 CA-C-O 121.626 0.727 . . . . 0.0 112.179 -177.311 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 85.9 p -79.59 -22.11 44.15 Favored 'General case' 0 CA--C 1.514 -0.423 0 N-CA-C 115.718 1.747 . . . . 0.0 115.718 -167.609 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 17.6 p 64.11 7.47 3.44 Favored 'General case' 0 C--N 1.319 -0.736 0 C-N-CA 126.753 2.021 . . . . 0.0 112.42 -169.039 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -78.5 161.85 26.77 Favored 'General case' 0 CA--C 1.516 -0.328 0 CA-C-N 119.01 0.823 . . . . 0.0 109.473 169.242 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 1.1 mptp? -136.58 -43.64 0.6 Allowed 'General case' 0 N--CA 1.449 -0.521 0 CA-C-N 115.093 -0.958 . . . . 0.0 109.782 174.717 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 2.7 mp0 -38.88 103.13 0.03 OUTLIER 'General case' 0 C--O 1.236 0.348 0 C-N-CA 127.203 2.201 . . . . 0.0 109.229 -174.83 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 8.0 t -53.77 -37.0 62.99 Favored 'General case' 0 N--CA 1.447 -0.624 0 N-CA-C 113.89 1.07 . . . . 0.0 113.89 -167.623 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -64.81 -37.43 87.6 Favored 'General case' 0 CA--C 1.535 0.391 0 CA-C-N 119.682 1.128 . . . . 0.0 112.362 178.109 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -68.47 -49.29 60.87 Favored 'General case' 0 CA--C 1.527 0.089 0 CA-C-O 122.196 0.998 . . . . 0.0 108.832 175.642 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 33' ' ' ILE . . . . . . . . . . . . . 7.5 mm -58.22 -37.37 62.29 Favored 'Isoleucine or valine' 0 CA--C 1.545 0.786 0 C-N-CA 124.885 1.274 . . . . 0.0 111.553 -179.612 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 3.8 m-80 -58.96 -46.96 86.77 Favored 'General case' 0 N--CA 1.462 0.157 0 C-N-CA 124.134 0.974 . . . . 0.0 111.195 170.737 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 38.1 mt-30 -64.51 -40.37 95.51 Favored 'General case' 0 CA--C 1.533 0.294 0 O-C-N 121.81 -0.556 . . . . 0.0 110.932 177.605 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 19.7 mt -51.12 -54.81 9.45 Favored 'Isoleucine or valine' 0 C--N 1.34 0.194 0 N-CA-C 109.57 -0.53 . . . . 0.0 109.57 170.207 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 15.2 mt -55.75 -42.9 76.11 Favored 'General case' 0 CA--C 1.535 0.396 0 CA-C-N 118.577 0.626 . . . . 0.0 111.087 177.712 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -47.24 -52.28 13.4 Favored Glycine 0 CA--C 1.529 0.911 0 N-CA-C 111.077 -0.809 . . . . 0.0 111.077 172.096 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -60.51 -56.68 18.44 Favored 'General case' 0 N--CA 1.447 -0.62 0 O-C-N 121.779 -0.836 . . . . 0.0 110.972 174.434 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 61.4 mtt180 -58.56 -32.05 68.55 Favored 'General case' 0 CA--C 1.52 -0.175 0 O-C-N 121.832 -0.543 . . . . 0.0 111.89 -169.086 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 41' ' ' TRP . . . . . . . . . . . . . 63.0 t-105 -45.19 -40.13 6.94 Favored 'General case' 0 N--CA 1.451 -0.375 0 N-CA-C 112.457 0.54 . . . . 0.0 112.457 171.857 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 42' ' ' HIS . . . . . . . . . . . . . 64.7 m80 -59.85 -18.94 48.11 Favored 'General case' 0 CA--C 1.532 0.274 0 C-N-CA 123.481 0.712 . . . . 0.0 112.648 -177.009 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -79.33 -19.68 49.71 Favored 'General case' 0 CA--C 1.535 0.389 0 C-N-CA 123.018 0.527 . . . . 0.0 111.898 176.054 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 16.3 mt -70.0 127.12 31.76 Favored 'General case' 0 N--CA 1.455 -0.216 0 CA-C-N 118.91 0.777 . . . . 0.0 110.906 -177.873 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 79.4 p -58.15 155.09 11.79 Favored 'General case' 0 CA--C 1.533 0.291 0 N-CA-C 108.255 -1.017 . . . . 0.0 108.255 168.486 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -55.57 -27.04 46.84 Favored 'General case' 0 CA--C 1.538 0.493 0 CA-C-N 119.279 0.945 . . . . 0.0 111.32 178.886 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 39.6 mp0 -68.94 -52.62 27.26 Favored 'General case' 0 CA--C 1.532 0.268 0 C-N-CA 123.65 0.78 . . . . 0.0 110.801 174.397 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 27.3 mt-10 -53.83 -42.84 68.91 Favored 'General case' 0 C--O 1.224 -0.24 0 O-C-N 122.194 -0.316 . . . . 0.0 110.391 173.787 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 75.0 mt-30 -58.08 -58.9 6.39 Favored 'General case' 0 N--CA 1.451 -0.42 0 N-CA-C 109.359 -0.608 . . . . 0.0 109.359 174.287 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -44.6 -43.68 8.34 Favored 'General case' 0 C--O 1.234 0.263 0 C-N-CA 125.148 1.379 . . . . 0.0 112.303 -177.767 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 4.0 pttp -47.9 -41.06 23.53 Favored 'General case' 0 CA--C 1.535 0.397 0 CA-C-N 117.668 0.213 . . . . 0.0 111.549 178.228 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 52' ' ' TYR . . . . . . . . . . . . . 57.2 m-85 -61.79 -35.76 79.11 Favored 'General case' 0 N--CA 1.453 -0.297 0 O-C-N 121.49 -0.756 . . . . 0.0 112.803 -179.886 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 53' ' ' TYR . . . . . . . . . . . . . 35.3 m-85 -72.59 -33.07 66.46 Favored 'General case' 0 N--CA 1.452 -0.346 0 N-CA-C 108.064 -1.087 . . . . 0.0 108.064 -175.204 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 41.7 mt-10 -65.9 -62.46 1.48 Allowed 'General case' 0 CA--C 1.534 0.336 0 C-N-CA 123.289 0.636 . . . . 0.0 109.507 169.714 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 5.8 mp -43.01 -51.98 5.45 Favored 'General case' 0 N--CA 1.464 0.241 0 C-N-CA 124.717 1.207 . . . . 0.0 112.568 177.11 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -45.15 -48.61 12.26 Favored 'General case' 0 CA--C 1.538 0.499 0 C-N-CA 123.494 0.717 . . . . 0.0 110.061 176.636 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 63.7 mtt85 -75.08 -32.7 61.54 Favored 'General case' 0 N--CA 1.454 -0.266 0 C-N-CA 123.984 0.913 . . . . 0.0 112.13 -179.302 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 31.5 mmtp -58.13 -49.81 75.66 Favored 'General case' 0 CA--C 1.532 0.27 0 O-C-N 121.01 -1.056 . . . . 0.0 109.531 170.6 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -60.7 -42.85 98.01 Favored 'General case' 0 CA--C 1.534 0.333 0 C-N-CA 123.819 0.847 . . . . 0.0 110.317 177.048 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 60' ' ' ARG . . . . . . . . . . . . . 27.5 ttm180 -54.68 -52.46 62.29 Favored 'General case' 0 CA--C 1.537 0.456 0 C-N-CA 123.578 0.751 . . . . 0.0 110.892 174.8 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 61' ' ' GLN . . . . . . . . . . . . . 31.7 mt-30 -63.58 -43.14 97.84 Favored 'General case' 0 CA--C 1.53 0.182 0 O-C-N 121.489 -0.757 . . . . 0.0 110.713 179.139 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 45.2 tp -52.48 -54.38 33.21 Favored 'General case' 0 N--CA 1.455 -0.18 0 N-CA-C 108.93 -0.766 . . . . 0.0 108.93 174.079 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 63' ' ' HIS . . . . . . . . . . . . . 0.8 OUTLIER -49.35 -45.17 45.29 Favored 'General case' 0 CA--C 1.53 0.196 0 C-N-CA 124.281 1.032 . . . . 0.0 111.114 176.944 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 64' ' ' MET . . . . . . . . . . . . . 0.3 OUTLIER -57.63 -32.22 67.03 Favored 'General case' 0 CA--C 1.536 0.44 0 CA-C-N 118.235 0.47 . . . . 0.0 111.685 177.725 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 65' ' ' GLN . . . . . . . . . . . . . 25.9 mt-30 -79.14 -44.0 22.87 Favored 'General case' 0 CA--C 1.531 0.224 0 CA-C-N 118.453 0.57 . . . . 0.0 110.069 175.519 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 22.7 mt -55.64 -41.54 73.73 Favored 'General case' 0 CA--C 1.53 0.202 0 C-N-CA 122.79 0.436 . . . . 0.0 110.466 178.783 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 67' ' ' TYR . . . . . . . . . . . . . 76.8 m-85 -130.8 89.95 41.54 Favored Pre-proline 0 C--O 1.234 0.282 0 C-N-CA 124.431 1.092 . . . . 0.0 109.297 179.295 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 68' ' ' PRO . . . . . . . . . . . . . 77.6 Cg_exo -56.93 79.44 0.04 OUTLIER 'Trans proline' 0 N--CA 1.458 -0.602 0 C-N-CA 124.97 3.78 . . . . 0.0 112.753 177.471 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . 93.53 45.69 3.4 Favored Glycine 0 CA--C 1.525 0.661 0 C-N-CA 124.328 0.966 . . . . 0.0 112.106 -179.056 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 70' ' ' TRP . . . . . . . . . . . . . 8.2 t90 -56.31 110.65 0.8 Allowed 'General case' 0 C--N 1.34 0.177 0 N-CA-C 107.072 -1.455 . . . . 0.0 107.072 168.194 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 4.1 m -49.7 117.72 2.42 Favored 'General case' 0 N--CA 1.447 -0.605 0 N-CA-C 107.803 -1.184 . . . . 0.0 107.803 172.395 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -39.6 -64.0 0.52 Allowed 'General case' 0 C--O 1.224 -0.254 0 O-C-N 124.149 0.905 . . . . 0.0 111.126 -169.008 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 73' ' ' ARG . . . . . 0.544 ' HB2' " H4'" ' B' ' 12' ' ' ' DG' 0.432 0.1 OUTLIER -92.07 66.82 5.0 Favored 'General case' 0 CA--C 1.518 -0.263 0 N-CA-C 117.416 2.376 . . . . 0.0 117.416 169.636 . . . . . . . . 4 4 . 1 . 008 nuclear nobuild full ' A' A ' 74' ' ' ASP . . . . . . . . . . . . . 36.0 t70 -64.52 -27.18 68.79 Favored 'General case' 0 CA--C 1.541 0.615 0 N-CA-C 107.558 -1.275 . . . . 0.0 107.558 166.124 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 75' ' ' ASN . . . . . . . . . . . . . 25.3 m120 -135.86 61.37 1.65 Allowed 'General case' 0 CA--C 1.538 0.504 0 C-N-CA 124.524 1.13 . . . . 0.0 112.935 -169.755 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 76' ' ' TYR . . . . . . . . . . . . . 10.6 t80 -90.24 145.02 25.32 Favored 'General case' 0 N--CA 1.47 0.57 0 CA-C-N 119.672 1.123 . . . . 0.0 108.137 169.073 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 53.61 44.6 68.55 Favored Glycine 0 CA--C 1.532 1.136 0 CA-C-N 118.692 0.678 . . . . 0.0 112.489 175.412 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 49.1 mmtm -101.68 -39.38 7.48 Favored 'General case' 0 N--CA 1.457 -0.087 0 C-N-CA 124.186 0.995 . . . . 0.0 109.637 175.979 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 53.7 mttm -70.04 132.32 45.7 Favored 'General case' 0 N--CA 1.45 -0.462 0 N-CA-C 106.004 -1.85 . . . . 0.0 106.004 168.757 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 95.3 mttt -79.98 61.37 3.84 Favored 'General case' 0 CA--C 1.534 0.363 0 C-N-CA 123.686 0.794 . . . . 0.0 109.404 -172.929 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 36.2 ttpt -58.28 107.64 0.51 Allowed 'General case' 0 CA--C 1.534 0.357 0 C-N-CA 124.52 1.128 . . . . 0.0 111.281 -169.72 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 82' ' ' ARG . . . . . . . . . . . . . 4.2 mtt180 -60.95 -43.49 98.62 Favored 'General case' 0 CA--C 1.527 0.087 0 C-N-CA 123.164 0.586 . . . . 0.0 110.208 178.044 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . 27.6 ttpt -78.61 53.09 1.27 Allowed 'General case' 0 CA--C 1.535 0.375 0 C-N-CA 124.683 1.193 . . . . 0.0 110.858 -178.198 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 84' ' ' ARG . . . . . 0.404 HH22 " C5'" ' C' ' 5' ' ' ' DT' . 0.0 OUTLIER -65.33 110.84 2.76 Favored 'General case' 0 N--CA 1.454 -0.264 0 N-CA-C 105.074 -2.195 . . . . 0.0 105.074 169.268 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 43.5 mp0 -72.6 69.69 0.89 Allowed 'General case' 0 CA--C 1.532 0.258 0 C-N-CA 123.847 0.859 . . . . 0.0 110.695 -169.638 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 24.5 pttm . . . . . 0 CA--C 1.531 0.212 0 O-C-N 121.689 -0.632 . . . . 0.0 110.5 -179.676 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' B' B ' 1' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.529 2.263 1 O4'-C1'-N19 111.692 4.864 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 2' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.413 -3.003 1 O4'-C1'-N19 112.18 5.475 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 3' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.421 -2.31 0 P-O3'-C3' 123.565 3.221 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' B' B ' 4' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.416 -2.753 0 P-O3'-C3' 123.453 3.128 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' B' B ' 5' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.41 -3.268 0 C4'-C3'-C2' 100.008 -3.192 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' B' B ' 6' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.412 -3.049 0 O4'-C1'-N19 109.573 2.216 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' B' B ' 7' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.415 -2.857 0 C4'-C3'-C2' 99.975 -3.225 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' B' B ' 8' ' ' ' DT' . . . . . 0.404 " H4'" ' CE1' ' A' ' 10' ' ' PHE . . . . . . . . 0 O4'--C4' 1.407 -3.564 0 O4'-C4'-C3' 108.746 3.146 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 9' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.415 -2.824 0 O4'-C1'-N19 110.459 3.324 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' B' B ' 10' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.532 2.597 0 O4'-C1'-C2' 103.435 -2.423 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' B' B ' 11' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.529 2.275 2 O4'-C1'-N19 114.255 8.069 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 12' ' ' ' DG' . . . . . 0.544 " H4'" ' HB2' ' A' ' 73' ' ' ARG . . . . . . . . 0 O4'--C4' 1.417 -2.67 1 O4'-C4'-C3' 110.237 4.637 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 13' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.409 -3.362 1 O4'-C1'-N19 111.532 4.665 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 14' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.532 2.676 0 O4'-C1'-N19 110.432 3.289 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' B' B ' 15' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.411 -3.201 0 O4'-C1'-N19 109.921 2.651 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' C' C ' 1' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.416 -2.747 1 O4'-C1'-N19 112.141 5.426 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' C' C ' 2' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.531 2.525 0 O4'-C1'-C2' 102.929 -2.882 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' C' C ' 3' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.417 -2.634 2 O4'-C1'-N19 115.752 9.94 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' C' C ' 4' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.534 2.903 0 P-O3'-C3' 122.599 2.416 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' C' C ' 5' ' ' ' DT' . . . . . 0.404 " C5'" HH22 ' A' ' 84' ' ' ARG . . . . . . . . 0 O4'--C4' 1.41 -3.27 0 O4'-C1'-N19 110.827 3.783 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' C' C ' 6' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.531 2.481 1 O4'-C1'-N19 111.358 4.447 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' C' C ' 7' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.417 -2.665 0 O4'-C4'-C3' 109.207 3.607 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' C' C ' 8' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.405 -3.772 2 C4'-C3'-C2' 98.493 -4.707 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' C' C ' 9' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.411 -3.21 0 C5'-C4'-C3' 111.289 -2.274 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' C' C ' 10' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.416 -2.761 1 O4'-C1'-N19 111.34 4.425 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' C' C ' 11' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.535 2.982 0 O4'-C4'-C3' 108.004 2.404 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' C' C ' 12' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.531 2.533 0 O3'-P-O5' 98.629 -2.827 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' C' C ' 13' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.414 -2.904 0 O4'-C1'-C2' 102.649 -3.138 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' C' C ' 14' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.41 -3.243 0 O4'-C1'-C2' 102.997 -2.821 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' C' C ' 15' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.419 -2.438 1 O4'-C1'-N19 111.947 5.184 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 65.9 mtm . . . . . 0 CA--C 1.531 0.222 0 CA-C-O 121.129 0.49 . . . . 0.0 109.702 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A ' 2' ' ' HIS . . . . . . . . . . . . . 16.5 m-70 -67.85 85.25 0.21 Allowed 'General case' 0 N--CA 1.455 -0.206 0 C-N-CA 123.525 0.73 . . . . 0.0 109.664 -179.846 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . 63.8 mt -77.99 108.4 11.27 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.382 0 N-CA-C 104.851 -2.278 . . . . 0.0 104.851 173.559 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 9.5 mmpt? -57.64 145.73 33.03 Favored 'General case' 0 N--CA 1.448 -0.567 0 CA-C-N 114.756 -1.111 . . . . 0.0 110.211 -171.164 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 10.8 mptt -76.97 161.46 73.48 Favored Pre-proline 0 N--CA 1.454 -0.23 0 C-N-CA 124.746 1.218 . . . . 0.0 110.006 -177.516 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 59.6 Cg_endo -66.04 98.85 0.38 Allowed 'Trans proline' 0 N--CA 1.451 -1.015 0 C-N-CA 122.312 2.008 . . . . 0.0 109.719 172.353 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 2.9 mm? -39.47 106.05 0.05 OUTLIER 'General case' 0 CA--C 1.533 0.295 0 C-N-CA 126.686 1.994 . . . . 0.0 110.984 172.991 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 12.3 p-10 -80.15 175.94 10.2 Favored 'General case' 0 N--CA 1.449 -0.485 0 C-N-CA 124.845 1.258 . . . . 0.0 111.251 -178.977 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -38.72 -69.09 0.13 Allowed 'General case' 0 N--CA 1.454 -0.239 0 C-N-CA 125.977 1.711 . . . . 0.0 113.946 -169.0 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 10' ' ' PHE . . . . . . . . . . . . . 4.3 m-85 -68.52 -20.49 64.57 Favored 'General case' 0 N--CA 1.452 -0.357 0 O-C-N 121.699 -0.626 . . . . 0.0 111.489 -170.436 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 11' ' ' MET . . . . . . . . . . . . . 78.0 mmm -75.49 -38.47 59.49 Favored 'General case' 0 N--CA 1.45 -0.447 0 N-CA-C 108.953 -0.758 . . . . 0.0 108.953 178.69 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 65.7 mt -63.91 -44.99 91.27 Favored 'General case' 0 N--CA 1.461 0.101 0 O-C-N 121.655 -0.653 . . . . 0.0 109.288 169.831 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 20.4 t80 -54.24 -46.54 72.59 Favored 'General case' 0 CA--C 1.529 0.145 0 N-CA-C 109.586 -0.524 . . . . 0.0 109.586 178.614 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 14' ' ' MET . . . . . . . . . . . . . 32.0 ttm -53.45 -62.51 1.61 Allowed 'General case' 0 N--CA 1.45 -0.454 0 C-N-CA 123.407 0.683 . . . . 0.0 110.119 170.723 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 18.9 mttt -46.37 -43.96 16.6 Favored 'General case' 0 CA--C 1.536 0.416 0 CA-C-N 118.804 0.729 . . . . 0.0 111.976 -176.852 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 47.2 mt-10 -71.0 -66.19 0.64 Allowed 'General case' 0 CA--C 1.537 0.457 0 C-N-CA 123.132 0.573 . . . . 0.0 111.882 178.71 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 17' ' ' MET . . . . . . . . . . . . . 9.2 mtp -81.42 -29.26 33.95 Favored 'General case' 0 C--O 1.227 -0.102 0 N-CA-C 114.635 1.346 . . . . 0.0 114.635 -169.002 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 7.2 tmm_? -55.33 -43.85 75.33 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 119.338 0.972 . . . . 0.0 111.114 -173.636 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -52.77 -47.88 67.2 Favored 'General case' 0 CA--C 1.533 0.319 0 O-C-N 121.99 -0.444 . . . . 0.0 110.762 172.685 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 20' ' ' ASN . . . . . . . . . . . . . 3.1 t30 -60.56 -50.43 73.56 Favored 'General case' 0 C--O 1.223 -0.306 0 N-CA-C 109.657 -0.498 . . . . 0.0 109.657 177.066 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 78.5 t -50.46 -51.25 19.32 Favored 'Isoleucine or valine' 0 N--CA 1.46 0.066 0 CA-C-N 118.893 0.77 . . . . 0.0 110.438 178.053 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 49.9 t -61.27 -37.18 76.99 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.374 0 C-N-CA 122.699 0.4 . . . . 0.0 110.038 -178.275 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -66.11 -46.3 78.08 Favored 'General case' 0 CA--C 1.538 0.482 0 O-C-N 121.762 -0.586 . . . . 0.0 112.306 173.908 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 28.9 mt-10 -69.97 -53.44 17.76 Favored 'General case' 0 CA--C 1.53 0.193 0 C-N-CA 123.085 0.554 . . . . 0.0 111.272 -175.662 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 53.3 p -84.2 175.86 9.16 Favored 'General case' 0 N--CA 1.451 -0.394 0 C-N-CA 124.005 0.922 . . . . 0.0 110.649 -169.867 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 4.3 p -83.39 -9.35 59.09 Favored 'General case' 0 N--CA 1.447 -0.585 0 C-N-CA 123.621 0.768 . . . . 0.0 111.24 169.9 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -90.55 155.7 18.69 Favored 'General case' 0 N--CA 1.448 -0.556 0 CA-C-O 122.264 1.03 . . . . 0.0 112.863 -169.694 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 7.9 mptt -137.64 -41.83 0.55 Allowed 'General case' 0 N--CA 1.45 -0.468 0 CA-C-N 113.573 -1.648 . . . . 0.0 109.081 173.729 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 2.9 mp0 -39.07 107.13 0.06 Allowed 'General case' 0 C--O 1.236 0.382 0 C-N-CA 127.257 2.223 . . . . 0.0 110.215 -177.888 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 12.1 t -54.49 -47.59 72.85 Favored 'General case' 0 N--CA 1.448 -0.56 0 CA-C-O 119.014 -0.517 . . . . 0.0 112.227 -168.583 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -55.86 -40.35 72.77 Favored 'General case' 0 CA--C 1.535 0.384 0 CA-C-N 120.192 1.36 . . . . 0.0 112.922 -178.278 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -70.17 -51.03 34.43 Favored 'General case' 0 CA--C 1.53 0.192 0 CA-C-O 121.708 0.765 . . . . 0.0 109.746 176.462 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 33' ' ' ILE . . . . . . . . . . . . . 6.8 mm -52.86 -37.63 26.22 Favored 'Isoleucine or valine' 0 CA--C 1.545 0.783 0 C-N-CA 124.582 1.153 . . . . 0.0 111.833 178.702 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 80.5 m-20 -71.39 -36.96 71.57 Favored 'General case' 0 C--N 1.328 -0.34 0 O-C-N 120.551 -1.343 . . . . 0.0 109.713 -179.039 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 38.5 mt-30 -65.38 -37.22 86.34 Favored 'General case' 0 CA--C 1.533 0.322 0 O-C-N 121.797 -0.564 . . . . 0.0 110.036 169.594 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 18.3 mt -54.84 -48.6 73.74 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.316 0 CA-C-N 119.089 0.858 . . . . 0.0 110.39 169.927 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 4.2 mm? -54.54 -50.1 68.71 Favored 'General case' 0 CA--C 1.538 0.505 0 CA-C-N 120.008 1.277 . . . . 0.0 109.584 173.607 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -47.61 -48.18 23.01 Favored Glycine 0 CA--C 1.533 1.157 0 C-N-CA 123.483 0.564 . . . . 0.0 112.296 176.994 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -61.83 -63.84 1.13 Allowed 'General case' 0 N--CA 1.448 -0.543 0 C-N-CA 123.803 0.841 . . . . 0.0 109.998 175.074 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 83.0 mtt180 -55.52 -30.36 60.56 Favored 'General case' 0 C--O 1.231 0.094 0 C-N-CA 123.971 0.908 . . . . 0.0 112.084 -169.616 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 41' ' ' TRP . . . . . . . . . . . . . 60.6 t-105 -40.67 -43.53 1.96 Allowed 'General case' 0 N--CA 1.454 -0.255 0 C-N-CA 123.295 0.638 . . . . 0.0 112.476 171.267 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 42' ' ' HIS . . . . . . . . . . . . . 73.9 m80 -59.53 -20.75 57.8 Favored 'General case' 0 CA--C 1.533 0.303 0 N-CA-C 112.841 0.682 . . . . 0.0 112.841 -174.952 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -79.29 -18.26 53.01 Favored 'General case' 0 CA--C 1.534 0.349 0 C-N-CA 122.998 0.519 . . . . 0.0 111.953 177.073 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 28.4 mt -66.28 125.81 26.76 Favored 'General case' 0 CA--C 1.532 0.287 0 CA-C-N 118.882 0.765 . . . . 0.0 110.295 -179.363 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 80.0 p -56.65 160.79 3.1 Favored 'General case' 0 CA--C 1.531 0.232 0 N-CA-C 109.993 -0.373 . . . . 0.0 109.993 169.464 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 59.7 ttp180 -44.11 -46.12 8.48 Favored 'General case' 0 CA--C 1.535 0.369 0 C-N-CA 123.589 0.756 . . . . 0.0 111.027 172.822 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 48.8 mp0 -67.27 -49.57 63.8 Favored 'General case' 0 N--CA 1.452 -0.361 0 C-N-CA 123.616 0.767 . . . . 0.0 111.095 -178.761 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 33.9 mt-10 -55.36 -43.21 74.87 Favored 'General case' 0 C--O 1.224 -0.283 0 O-C-N 122.265 -0.272 . . . . 0.0 110.623 176.079 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 72.3 mt-30 -58.49 -58.88 6.57 Favored 'General case' 0 N--CA 1.455 -0.225 0 N-CA-C 109.1 -0.704 . . . . 0.0 109.1 174.219 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -45.61 -43.76 12.52 Favored 'General case' 0 C--O 1.235 0.327 0 C-N-CA 124.268 1.027 . . . . 0.0 112.325 -178.366 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 1.7 pttp -47.64 -40.91 20.89 Favored 'General case' 0 CA--C 1.533 0.31 0 C-N-CA 122.644 0.378 . . . . 0.0 111.437 178.018 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 52' ' ' TYR . . . . . . . . . . . . . 48.4 m-85 -65.31 -33.26 75.56 Favored 'General case' 0 N--CA 1.453 -0.307 0 N-CA-C 113.013 0.746 . . . . 0.0 113.013 -179.445 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 53' ' ' TYR . . . . . . . . . . . . . 40.7 m-85 -73.51 -42.78 61.36 Favored 'General case' 0 N--CA 1.45 -0.443 0 N-CA-C 107.277 -1.379 . . . . 0.0 107.277 -177.343 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 42.8 mt-10 -53.95 -61.53 2.24 Favored 'General case' 0 CA--C 1.535 0.373 0 CA-C-N 116.15 -0.477 . . . . 0.0 109.985 170.031 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 5.1 mp -48.58 -51.07 29.7 Favored 'General case' 0 C--O 1.224 -0.237 0 C-N-CA 124.247 1.019 . . . . 0.0 113.294 176.559 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -54.19 -45.09 72.07 Favored 'General case' 0 CA--C 1.533 0.303 0 CA-C-N 118.542 0.61 . . . . 0.0 109.824 177.914 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 75.9 mtp180 -63.06 -38.29 90.6 Favored 'General case' 0 CA--C 1.538 0.51 0 O-C-N 122.023 -0.423 . . . . 0.0 111.556 175.05 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 70.5 mmtt -58.67 -48.73 80.09 Favored 'General case' 0 C--O 1.224 -0.287 0 O-C-N 120.976 -1.077 . . . . 0.0 110.286 172.978 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 36.5 mm-40 -56.29 -50.96 69.9 Favored 'General case' 0 CA--C 1.532 0.255 0 C-N-CA 123.161 0.584 . . . . 0.0 110.662 177.326 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 60' ' ' ARG . . . . . . . . . . . . . 16.9 ttt85 -47.64 -57.29 5.67 Favored 'General case' 0 CA--C 1.534 0.342 0 C-N-CA 124.042 0.937 . . . . 0.0 110.472 173.839 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 61' ' ' GLN . . . . . . . . . . . . . 31.9 mt-30 -61.72 -52.43 64.31 Favored 'General case' 0 CA--C 1.531 0.248 0 O-C-N 122.119 -0.363 . . . . 0.0 110.676 -177.087 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 42.2 tp -46.61 -49.87 18.36 Favored 'General case' 0 CA--C 1.523 -0.077 0 C-N-CA 124.703 1.201 . . . . 0.0 109.667 177.102 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 63' ' ' HIS . . . . . . . . . . . . . 5.8 t-80 -51.32 -37.41 47.55 Favored 'General case' 0 CA--C 1.533 0.291 0 C-N-CA 123.403 0.681 . . . . 0.0 112.435 -179.941 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 64' ' ' MET . . . . . . . . . . . . . 75.0 mtp -66.24 -31.23 71.93 Favored 'General case' 0 C--O 1.224 -0.257 0 CA-C-N 118.387 0.54 . . . . 0.0 110.869 177.34 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 65' ' ' GLN . . . . . . . . . . . . . 16.8 mt-30 -78.27 -44.42 25.51 Favored 'General case' 0 N--CA 1.454 -0.254 0 N-CA-C 108.284 -1.006 . . . . 0.0 108.284 -179.665 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 46.4 mt -56.99 -45.43 82.96 Favored 'General case' 0 CA--C 1.532 0.256 0 C-N-CA 122.856 0.462 . . . . 0.0 110.336 175.382 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 67' ' ' TYR . . . . . . . . . . . . . 81.9 m-85 -133.93 86.06 38.91 Favored Pre-proline 0 CA--C 1.534 0.351 0 C-N-CA 123.949 0.9 . . . . 0.0 110.578 -176.888 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 68' ' ' PRO . . . . . . . . . . . . . 63.3 Cg_exo -42.18 -39.04 5.78 Favored 'Trans proline' 0 C--N 1.346 0.414 0 C-N-CA 125.16 3.907 . . . . 0.0 114.354 178.304 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . -133.16 51.39 0.85 Allowed Glycine 0 C--N 1.337 0.609 0 CA-C-O 119.744 -0.475 . . . . 0.0 112.084 175.92 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 70' ' ' TRP . . . . . 0.408 ' CZ2' ' O ' ' A' ' 72' ' ' ALA . 10.0 t90 -61.4 108.26 0.91 Allowed 'General case' 0 C--N 1.339 0.14 0 N-CA-C 106.827 -1.546 . . . . 0.0 106.827 168.202 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 2.4 m -53.88 111.78 0.81 Allowed 'General case' 0 N--CA 1.448 -0.554 0 N-CA-C 106.744 -1.576 . . . . 0.0 106.744 169.778 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 72' ' ' ALA . . . . . 0.408 ' O ' ' CZ2' ' A' ' 70' ' ' TRP . . . -39.78 -65.62 0.37 Allowed 'General case' 0 C--O 1.225 -0.233 0 O-C-N 124.246 0.967 . . . . 0.0 111.092 -169.155 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 73' ' ' ARG . . . . . 0.447 ' CG ' " H4'" ' B' ' 12' ' ' ' DG' 0.33 0.1 OUTLIER -90.75 74.21 6.61 Favored 'General case' 0 N--CA 1.451 -0.382 0 C-N-CA 118.957 -1.097 . . . . 0.0 113.934 173.103 . . . . . . . . 4 4 . 1 . 009 nuclear nobuild full ' A' A ' 74' ' ' ASP . . . . . . . . . . . . . 9.9 p-10 -57.93 -36.4 72.45 Favored 'General case' 0 CA--C 1.535 0.38 0 CA-C-N 115.078 -0.965 . . . . 0.0 110.206 169.083 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 75' ' ' ASN . . . . . . . . . . . . . 32.4 m-80 -147.15 78.52 1.48 Allowed 'General case' 0 C--N 1.34 0.165 0 C-N-CA 124.333 1.053 . . . . 0.0 109.736 -173.389 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 76' ' ' TYR . . . . . . . . . . . . . 30.6 t80 -91.3 144.61 25.42 Favored 'General case' 0 N--CA 1.466 0.373 0 C-N-CA 124.224 1.01 . . . . 0.0 110.239 169.656 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 63.01 26.89 69.57 Favored Glycine 0 CA--C 1.531 1.068 0 CA-C-O 119.721 -0.488 . . . . 0.0 113.822 171.364 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 33.2 mmtp -93.81 -43.48 8.58 Favored 'General case' 0 CA--C 1.53 0.199 0 C-N-CA 124.097 0.959 . . . . 0.0 111.084 -177.516 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 60.4 mttm -60.89 143.17 55.48 Favored 'General case' 0 C--O 1.234 0.266 0 N-CA-C 109.065 -0.717 . . . . 0.0 109.065 176.915 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 34.1 mmtp -76.44 71.41 3.1 Favored 'General case' 0 N--CA 1.453 -0.301 0 C-N-CA 123.203 0.601 . . . . 0.0 109.455 -179.432 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 7.3 ptmm? -82.24 65.21 7.27 Favored 'General case' 0 CA--C 1.537 0.448 0 N-CA-C 113.924 1.083 . . . . 0.0 113.924 -171.646 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 82' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER 17.19 -68.03 0.0 OUTLIER 'General case' 0 N--CA 1.464 0.266 0 C-N-CA 129.903 3.281 . . . . 0.0 117.254 168.208 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . 2.7 mptp? -53.42 -37.85 62.92 Favored 'General case' 0 CA--C 1.534 0.333 0 C-N-CA 124.29 1.036 . . . . 0.0 110.818 -175.708 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 84' ' ' ARG . . . . . . . . . . . . . 48.8 ttp180 -60.34 -56.1 25.57 Favored 'General case' 0 CA--C 1.531 0.234 0 N-CA-C 109.095 -0.706 . . . . 0.0 109.095 172.633 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 3.4 mp0 -73.63 46.22 0.21 Allowed 'General case' 0 CA--C 1.539 0.524 0 C-N-CA 124.131 0.972 . . . . 0.0 110.712 173.784 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 57.1 mttp . . . . . 0 CA--C 1.532 0.256 0 C-N-CA 124.326 1.05 . . . . 0.0 110.845 -169.795 . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' B' B ' 1' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.53 2.344 1 O4'-C1'-N19 112.046 5.308 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 2' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.418 -2.58 1 O4'-C1'-N19 111.012 4.015 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 3' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.531 2.44 0 O4'-C1'-N19 110.691 3.614 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' B' B ' 4' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.403 -3.87 0 P-O3'-C3' 123.226 2.939 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' B' B ' 5' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.41 -3.284 0 P-O3'-C3' 122.626 2.438 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' B' B ' 6' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.413 -2.992 0 C5'-C4'-C3' 111.111 -2.393 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' B' B ' 7' ' ' ' DT' . . . . . 0.407 " H2'" ' C6 ' ' B' ' 8' ' ' ' DT' . . . . . . . . 0 O4'--C4' 1.418 -2.556 0 C4'-C3'-C2' 100.63 -2.57 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 8' ' ' ' DT' . . . . . 0.407 ' C6 ' " H2'" ' B' ' 7' ' ' ' DT' . . . . . . . . 0 O4'--C4' 1.409 -3.363 0 O4'-C4'-C3' 109.192 3.592 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 9' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.533 2.806 0 P-O3'-C3' 123.148 2.873 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' B' B ' 10' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.535 2.967 0 P-O3'-C3' 122.711 2.509 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' B' B ' 11' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.53 2.404 2 O4'-C1'-N19 114.666 8.582 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 12' ' ' ' DG' . . . . . 0.447 " H4'" ' CG ' ' A' ' 73' ' ' ARG . . . . . . . . 0 O4'--C4' 1.419 -2.454 2 O4'-C4'-C3' 110.139 4.539 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 13' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.411 -3.189 1 O4'-C1'-N19 111.34 4.425 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 14' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.532 2.682 0 O4'-C1'-N19 110.009 2.761 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' B' B ' 15' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.411 -3.142 0 O4'-C1'-N19 109.739 2.424 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' C' C ' 1' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.415 -2.8 1 O4'-C1'-N19 112.064 5.331 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' C' C ' 2' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.532 2.597 0 O4'-C1'-C2' 102.951 -2.862 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' C' C ' 3' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.416 -2.701 2 O4'-C1'-N19 115.323 9.403 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' C' C ' 4' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.534 2.885 0 O4'-C4'-C3' 108.003 2.403 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' C' C ' 5' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.41 -3.292 0 O4'-C1'-N19 110.596 3.495 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' C' C ' 6' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.417 -2.631 2 O4'-C1'-N19 111.729 4.912 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' C' C ' 7' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.42 -2.347 0 O4'-C1'-N19 110.31 3.138 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' C' C ' 8' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.405 -3.768 2 C4'-C3'-C2' 97.666 -5.534 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' C' C ' 9' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.409 -3.378 0 O4'-C1'-N19 105.483 -2.896 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' C' C ' 10' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.417 -2.682 1 O4'-C1'-N19 111.64 4.8 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' C' C ' 11' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.415 -2.8 0 O4'-C1'-N19 109.906 2.632 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' C' C ' 12' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.531 2.549 0 O4'-C1'-N19 110.542 3.427 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' C' C ' 13' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.534 2.921 0 O4'-C4'-C3' 108.092 2.492 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' C' C ' 14' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.41 -3.301 0 C1'-O4'-C4' 105.448 -3.037 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' C' C ' 15' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.532 2.577 1 O4'-C1'-N19 111.915 5.144 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 27.2 ptt? . . . . . 0 N--CA 1.45 -0.429 0 N-CA-C 108.906 -0.775 . . . . 0.0 108.906 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' A' A ' 2' ' ' HIS . . . . . . . . . . . . . 8.2 m-70 -65.33 102.02 0.63 Allowed 'General case' 0 CA--C 1.53 0.174 0 N-CA-C 109.1 -0.704 . . . . 0.0 109.1 173.665 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . 24.4 mt -79.02 125.45 38.4 Favored 'Isoleucine or valine' 0 N--CA 1.449 -0.493 0 N-CA-C 106.828 -1.545 . . . . 0.0 106.828 173.851 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -62.25 119.97 10.05 Favored 'General case' 0 N--CA 1.447 -0.587 0 N-CA-C 108.504 -0.924 . . . . 0.0 108.504 173.713 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 5.2 mptp? -56.82 156.19 13.32 Favored Pre-proline 0 CA--C 1.536 0.411 0 C-N-CA 123.959 0.904 . . . . 0.0 109.416 178.317 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 61.7 Cg_endo -65.65 91.95 0.24 Allowed 'Trans proline' 0 N--CA 1.45 -1.073 0 C-N-CA 122.024 1.816 . . . . 0.0 109.332 171.404 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 9.4 mp -39.29 123.5 1.41 Allowed 'General case' 0 CA--C 1.527 0.087 0 C-N-CA 125.784 1.634 . . . . 0.0 112.578 177.832 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 5.5 p30 -75.82 176.77 7.47 Favored 'General case' 0 N--CA 1.446 -0.659 0 CA-C-O 122.284 1.04 . . . . 0.0 111.521 175.639 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 9' ' ' ALA . . . . . 0.424 ' CB ' ' HB3' ' A' ' 52' ' ' TYR . . . -38.79 -62.33 0.63 Allowed 'General case' 0 N--CA 1.448 -0.564 0 C-N-CA 127.028 2.131 . . . . 0.0 113.986 -179.565 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 10' ' ' PHE . . . . . . . . . . . . . 5.4 m-85 -69.22 -25.41 64.29 Favored 'General case' 0 N--CA 1.455 -0.195 0 O-C-N 121.337 -0.852 . . . . 0.0 111.567 -169.278 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 11' ' ' MET . . . . . . . . . . . . . 60.6 mmm -65.83 -36.52 83.7 Favored 'General case' 0 CA--C 1.532 0.268 0 N-CA-C 109.134 -0.691 . . . . 0.0 109.134 177.612 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 57.4 mt -72.48 -43.77 63.23 Favored 'General case' 0 CA--C 1.521 -0.158 0 O-C-N 121.851 -0.531 . . . . 0.0 109.902 174.523 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 19.4 t80 -53.94 -47.28 71.43 Favored 'General case' 0 C--N 1.34 0.195 0 N-CA-C 109.3 -0.63 . . . . 0.0 109.3 178.861 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 14' ' ' MET . . . . . . . . . . . . . 16.1 ttm -54.13 -63.02 1.28 Allowed 'General case' 0 N--CA 1.444 -0.726 0 C-N-CA 124.124 0.97 . . . . 0.0 110.313 170.041 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 15.7 mmtt -43.93 -43.64 6.61 Favored 'General case' 0 CA--C 1.537 0.469 0 CA-C-N 120.2 1.364 . . . . 0.0 112.453 -178.029 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 45.7 mt-10 -71.31 -64.57 0.89 Allowed 'General case' 0 CA--C 1.538 0.505 0 C-N-CA 123.074 0.549 . . . . 0.0 112.106 178.496 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 17' ' ' MET . . . . . . . . . . . . . 4.1 mtp -79.87 -31.84 40.4 Favored 'General case' 0 C--O 1.224 -0.279 0 N-CA-C 114.074 1.138 . . . . 0.0 114.074 -169.057 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 7.4 tmm_? -56.63 -44.36 81.15 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 121.445 -0.784 . . . . 0.0 111.704 -170.051 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -53.53 -46.67 70.22 Favored 'General case' 0 CA--C 1.532 0.26 0 O-C-N 121.819 -0.551 . . . . 0.0 110.395 172.887 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 20' ' ' ASN . . . . . . . . . . . . . 47.8 t30 -59.15 -53.74 54.88 Favored 'General case' 0 C--O 1.221 -0.416 0 N-CA-C 109.235 -0.654 . . . . 0.0 109.235 176.961 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 71.9 t -47.22 -51.41 6.06 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.315 0 CA-C-N 118.898 0.772 . . . . 0.0 111.242 175.907 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 42.3 t -61.81 -36.23 72.49 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.37 0 C-N-CA 122.441 0.296 . . . . 0.0 110.342 -177.651 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -68.29 -42.81 78.94 Favored 'General case' 0 CA--C 1.54 0.574 0 O-C-N 121.885 -0.509 . . . . 0.0 112.154 173.315 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 47.5 mt-10 -67.51 -55.21 14.42 Favored 'General case' 0 CA--C 1.531 0.216 0 C-N-CA 124.546 1.139 . . . . 0.0 111.175 -176.769 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 56.0 p -89.53 175.99 7.07 Favored 'General case' 0 N--CA 1.45 -0.46 0 C-N-CA 125.013 1.325 . . . . 0.0 110.795 -169.406 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 4.4 p -81.22 -15.47 55.55 Favored 'General case' 0 N--CA 1.448 -0.542 0 C-N-CA 123.727 0.811 . . . . 0.0 111.141 169.973 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -83.17 162.57 21.22 Favored 'General case' 0 N--CA 1.447 -0.582 0 CA-C-O 122.418 1.104 . . . . 0.0 113.308 -169.643 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 1.2 mptp? -145.27 -44.11 0.22 Allowed 'General case' 0 N--CA 1.45 -0.458 0 CA-C-N 113.193 -1.821 . . . . 0.0 109.528 176.209 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 44.9 mt-10 -39.88 105.11 0.04 OUTLIER 'General case' 0 C--N 1.343 0.295 0 C-N-CA 125.733 1.613 . . . . 0.0 109.738 -176.181 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 22.4 t -51.55 -47.55 63.38 Favored 'General case' 0 C--O 1.22 -0.458 0 O-C-N 123.67 0.607 . . . . 0.0 110.655 -169.076 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -54.21 -37.78 64.94 Favored 'General case' 0 CA--C 1.535 0.38 0 N-CA-C 113.452 0.908 . . . . 0.0 113.452 -179.961 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -75.74 -51.35 12.87 Favored 'General case' 0 CA--C 1.531 0.237 0 CA-C-N 119.052 0.842 . . . . 0.0 109.707 176.553 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 33' ' ' ILE . . . . . . . . . . . . . 6.5 mm -50.81 -34.93 13.6 Favored 'Isoleucine or valine' 0 CA--C 1.545 0.75 0 C-N-CA 125.251 1.42 . . . . 0.0 111.91 178.024 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 84.0 m-20 -73.85 -31.86 63.39 Favored 'General case' 0 C--N 1.331 -0.221 0 C-N-CA 124.769 1.227 . . . . 0.0 110.659 179.728 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 43.8 mt-30 -70.75 -39.28 73.38 Favored 'General case' 0 CA--C 1.533 0.315 0 O-C-N 121.865 -0.522 . . . . 0.0 109.751 170.564 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 6.3 mt -51.51 -53.65 15.28 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.381 0 N-CA-C 108.765 -0.828 . . . . 0.0 108.765 169.507 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 10.1 mt -58.53 -41.54 85.76 Favored 'General case' 0 CA--C 1.534 0.34 0 O-C-N 121.8 -0.563 . . . . 0.0 111.413 178.528 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -48.46 -52.27 19.62 Favored Glycine 0 CA--C 1.529 0.914 0 C-N-CA 123.786 0.707 . . . . 0.0 111.435 171.492 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -58.33 -54.8 42.87 Favored 'General case' 0 N--CA 1.447 -0.583 0 O-C-N 121.568 -0.96 . . . . 0.0 110.14 173.315 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 79.9 mtt180 -60.83 -23.91 65.46 Favored 'General case' 0 C--O 1.232 0.138 0 O-C-N 122.026 -0.421 . . . . 0.0 111.73 -169.957 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 41' ' ' TRP . . . . . . . . . . . . . 65.1 t-105 -48.28 -41.93 29.35 Favored 'General case' 0 N--CA 1.451 -0.416 0 CA-C-N 118.569 0.622 . . . . 0.0 111.288 171.297 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 42' ' ' HIS . . . . . . . . . . . . . 71.6 m80 -61.09 -19.96 62.06 Favored 'General case' 0 CA--C 1.532 0.267 0 C-N-CA 123.846 0.858 . . . . 0.0 112.34 -175.465 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -78.99 -20.04 50.1 Favored 'General case' 0 CA--C 1.534 0.36 0 C-N-CA 122.55 0.34 . . . . 0.0 111.585 176.67 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 28.1 mt -66.77 125.73 26.79 Favored 'General case' 0 C--O 1.235 0.309 0 CA-C-N 118.885 0.766 . . . . 0.0 110.498 -179.597 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 86.1 p -59.03 154.8 14.82 Favored 'General case' 0 CA--C 1.531 0.235 0 N-CA-C 108.103 -1.073 . . . . 0.0 108.103 168.809 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -54.4 -33.12 58.71 Favored 'General case' 0 CA--C 1.537 0.445 0 O-C-N 121.816 -0.553 . . . . 0.0 110.994 -177.611 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 2.4 mp0 -63.56 -52.53 60.64 Favored 'General case' 0 CA--C 1.532 0.267 0 C-N-CA 123.883 0.873 . . . . 0.0 110.934 174.26 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 37.2 mt-10 -56.4 -42.87 78.68 Favored 'General case' 0 C--O 1.224 -0.244 0 N-CA-C 110.275 -0.268 . . . . 0.0 110.275 176.063 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 74.9 mt-30 -55.24 -59.88 4.17 Favored 'General case' 0 N--CA 1.454 -0.233 0 N-CA-C 109.19 -0.671 . . . . 0.0 109.19 174.158 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -47.36 -43.19 22.96 Favored 'General case' 0 CA--C 1.533 0.307 0 C-N-CA 123.96 0.904 . . . . 0.0 112.21 -178.865 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 10.0 pttt -46.56 -41.88 15.04 Favored 'General case' 0 CA--C 1.534 0.355 0 C-N-CA 122.744 0.418 . . . . 0.0 111.554 176.948 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 52' ' ' TYR . . . . . 0.424 ' HB3' ' CB ' ' A' ' 9' ' ' ALA . 44.6 m-85 -63.74 -34.02 76.96 Favored 'General case' 0 CA--C 1.517 -0.327 0 N-CA-C 112.911 0.708 . . . . 0.0 112.911 -179.127 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 53' ' ' TYR . . . . . . . . . . . . . 29.8 m-85 -72.25 -42.86 65.17 Favored 'General case' 0 N--CA 1.449 -0.482 0 N-CA-C 107.073 -1.454 . . . . 0.0 107.073 -176.475 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 42.2 mt-10 -53.79 -61.33 2.37 Favored 'General case' 0 CA--C 1.534 0.352 0 CA-C-N 116.372 -0.376 . . . . 0.0 110.009 169.91 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 5.2 mp -45.99 -54.19 8.78 Favored 'General case' 0 C--O 1.225 -0.22 0 C-N-CA 124.263 1.025 . . . . 0.0 112.891 176.542 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -49.29 -46.63 46.74 Favored 'General case' 0 CA--C 1.534 0.331 0 CA-C-O 121.12 0.486 . . . . 0.0 109.774 179.039 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 15.7 mtt-85 -71.58 -35.21 70.47 Favored 'General case' 0 CA--C 1.535 0.401 0 CA-C-O 118.996 -0.525 . . . . 0.0 112.312 179.661 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 68.3 mmtt -58.95 -49.44 77.83 Favored 'General case' 0 CA--C 1.531 0.231 0 CA-C-N 120.013 1.278 . . . . 0.0 110.398 171.043 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -56.63 -45.5 81.51 Favored 'General case' 0 CA--C 1.531 0.241 0 C-N-CA 123.571 0.748 . . . . 0.0 109.549 176.118 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 60' ' ' ARG . . . . . . . . . . . . . 44.1 ttt-85 -55.26 -52.53 63.11 Favored 'General case' 0 CA--C 1.538 0.487 0 C-N-CA 123.129 0.571 . . . . 0.0 111.428 174.343 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 61' ' ' GLN . . . . . . . . . . . . . 57.3 mt-30 -57.15 -50.71 71.98 Favored 'General case' 0 CA--C 1.53 0.19 0 C-N-CA 123.799 0.839 . . . . 0.0 109.998 -179.215 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 46.3 tp -53.19 -52.83 57.58 Favored 'General case' 0 N--CA 1.456 -0.135 0 N-CA-C 109.508 -0.553 . . . . 0.0 109.508 174.389 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 63' ' ' HIS . . . . . . . . . . . . . 16.6 t-80 -51.52 -42.25 61.61 Favored 'General case' 0 N--CA 1.454 -0.262 0 C-N-CA 124.875 1.27 . . . . 0.0 111.763 -178.369 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 64' ' ' MET . . . . . . . . . . . . . 86.8 mtp -57.74 -33.98 69.04 Favored 'General case' 0 CA--C 1.535 0.389 0 CA-C-N 118.588 0.631 . . . . 0.0 111.852 175.664 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 65' ' ' GLN . . . . . . . . . . . . . 22.4 mt-30 -78.79 -42.86 26.8 Favored 'General case' 0 CA--C 1.529 0.166 0 N-CA-C 109.075 -0.713 . . . . 0.0 109.075 179.425 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 24.0 mt -53.97 -39.87 66.36 Favored 'General case' 0 CA--C 1.532 0.27 0 C-N-CA 122.492 0.317 . . . . 0.0 110.346 173.797 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 67' ' ' TYR . . . . . . . . . . . . . 99.2 m-85 -138.39 88.31 14.86 Favored Pre-proline 0 N--CA 1.452 -0.33 0 C-N-CA 124.053 0.941 . . . . 0.0 111.357 -173.773 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 68' ' ' PRO . . . . . . . . . . . . . 48.2 Cg_exo -56.18 -58.14 1.17 Allowed 'Trans proline' 0 N--CA 1.453 -0.876 0 C-N-CA 122.607 2.205 . . . . 0.0 109.131 169.465 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . -79.41 50.55 3.79 Favored Glycine 0 C--N 1.339 0.707 0 N-CA-C 110.956 -0.857 . . . . 0.0 110.956 169.916 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 70' ' ' TRP . . . . . 0.4 ' HE1' ' HB2' ' A' ' 72' ' ' ALA . 1.8 t90 -61.78 115.37 3.94 Favored 'General case' 0 N--CA 1.446 -0.628 0 N-CA-C 105.66 -1.978 . . . . 0.0 105.66 168.653 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 20.0 m -123.01 54.85 1.22 Allowed 'General case' 0 CA--C 1.54 0.578 0 C-N-CA 123.453 0.701 . . . . 0.0 111.677 -170.351 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 72' ' ' ALA . . . . . 0.4 ' HB2' ' HE1' ' A' ' 70' ' ' TRP . . . -39.96 -42.62 1.39 Allowed 'General case' 0 N--CA 1.48 1.029 0 C-N-CA 124.34 1.056 . . . . 0.0 113.183 -178.568 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 73' ' ' ARG . . . . . 0.609 ' H ' ' CD ' ' A' ' 73' ' ' ARG . 0.0 OUTLIER -58.34 -28.71 65.33 Favored 'General case' 0 N--CA 1.436 -1.125 0 CA-C-N 113.948 -1.478 . . . . 0.0 110.718 -169.921 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 74' ' ' ASP . . . . . . . . . . . . . 9.3 t70 -62.79 -43.2 99.43 Favored 'General case' 0 CA--C 1.53 0.209 0 O-C-N 122.108 -0.37 . . . . 0.0 111.009 170.951 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 75' ' ' ASN . . . . . . . . . . . . . 7.0 m120 -82.12 -36.19 27.77 Favored 'General case' 0 C--N 1.332 -0.188 0 C-N-CA 124.532 1.133 . . . . 0.0 111.042 -169.772 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 76' ' ' TYR . . . . . . . . . . . . . 83.6 t80 -51.34 131.58 28.59 Favored 'General case' 0 N--CA 1.451 -0.401 0 C-N-CA 122.555 0.342 . . . . 0.0 110.622 -178.692 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 83.03 -16.59 27.05 Favored Glycine 0 CA--C 1.533 1.194 0 CA-C-O 118.3 -1.278 . . . . 0.0 114.09 -178.627 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 46.8 mmtm -78.17 -12.08 59.97 Favored 'General case' 0 CA--C 1.533 0.293 0 CA-C-N 120.285 2.042 . . . . 0.0 114.978 -169.591 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 42.1 mtmt -67.72 142.41 56.31 Favored 'General case' 0 CA--C 1.534 0.358 0 N-CA-C 106.707 -1.59 . . . . 0.0 106.707 168.85 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 67.8 mttm -79.19 60.03 2.93 Favored 'General case' 0 CA--C 1.535 0.37 0 CA-C-O 121.554 0.692 . . . . 0.0 109.944 -178.585 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 85.8 tttt -61.93 103.55 0.37 Allowed 'General case' 0 N--CA 1.45 -0.44 0 C-N-CA 125.473 1.509 . . . . 0.0 111.204 -169.626 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 82' ' ' ARG . . . . . . . . . . . . . 54.6 mtt85 -58.66 -33.77 70.47 Favored 'General case' 0 CA--C 1.535 0.372 0 O-C-N 121.728 -0.607 . . . . 0.0 111.879 179.589 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . 94.9 mttt -55.49 -28.22 53.24 Favored 'General case' 0 CA--C 1.54 0.577 0 O-C-N 121.975 -0.453 . . . . 0.0 111.999 173.329 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 84' ' ' ARG . . . . . . . . . . . . . 47.5 ttp180 -87.13 -58.72 2.48 Favored 'General case' 0 CA--C 1.531 0.247 0 N-CA-C 108.238 -1.023 . . . . 0.0 108.238 170.033 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 78.0 mt-10 -76.03 59.27 1.28 Allowed 'General case' 0 CA--C 1.534 0.346 0 C-N-CA 125.609 1.564 . . . . 0.0 110.768 -175.194 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 35.1 mtmm . . . . . 0 N--CA 1.454 -0.258 0 C-N-CA 123.445 0.698 . . . . 0.0 109.602 -179.116 . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' B' B ' 1' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.531 2.443 1 O4'-C1'-N19 111.731 4.914 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 2' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.533 2.786 0 P-O3'-C3' 123.495 3.162 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' B' B ' 3' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.415 -2.815 0 C4'-C3'-C2' 100.15 -3.05 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' B' B ' 4' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.415 -2.78 0 P-O3'-C3' 123.139 2.866 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' B' B ' 5' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.41 -3.235 0 C4'-C3'-C2' 99.897 -3.303 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' B' B ' 6' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.414 -2.868 0 O4'-C1'-N19 109.276 1.845 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' B' B ' 7' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.417 -2.652 0 C4'-C3'-C2' 100.112 -3.088 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' B' B ' 8' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.407 -3.547 0 O4'-C4'-C3' 108.731 3.131 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' B' B ' 9' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.53 2.338 0 O4'-C1'-N19 110.325 3.156 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' B' B ' 10' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.535 2.998 0 P-O3'-C3' 123.263 2.969 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' B' B ' 11' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.42 -2.35 2 O4'-C1'-N19 113.194 6.742 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 12' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.413 -2.996 1 O4'-C4'-C3' 110.395 4.795 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 13' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.412 -3.097 0 O4'-C1'-N19 110.837 3.796 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' B' B ' 14' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.416 -2.739 0 O4'-C1'-N19 110.226 3.032 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' B' B ' 15' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.41 -3.233 0 O4'-C1'-N19 109.851 2.564 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' C' C ' 1' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.415 -2.791 1 O4'-C1'-N19 112.166 5.458 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' C' C ' 2' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.532 2.587 0 O4'-C1'-N19 110.171 2.964 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' C' C ' 3' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.414 -2.902 2 O4'-C1'-N19 114.583 8.479 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' C' C ' 4' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.533 2.719 0 O4'-C1'-N19 109.87 2.588 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' C' C ' 5' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.412 -3.072 0 O4'-C1'-C2' 103.222 -2.616 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' C' C ' 6' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.415 -2.857 0 O4'-C1'-C2' 102.271 -3.481 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' C' C ' 7' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.412 -3.121 0 O4'-C4'-C3' 108.932 3.332 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' C' C ' 8' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.408 -3.433 2 C4'-C3'-C2' 98.975 -4.225 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' C' C ' 9' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.411 -3.204 0 P-O3'-C3' 122.171 2.059 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' C' C ' 10' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.412 -3.13 0 O4'-C1'-N19 110.354 3.193 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' C' C ' 11' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.417 -2.627 0 O4'-C1'-N19 110.193 2.992 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' C' C ' 12' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.535 3.053 0 O4'-C1'-N19 110.235 3.044 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' C' C ' 13' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.414 -2.939 1 O4'-C1'-N19 111.139 4.174 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' C' C ' 14' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.414 -2.931 0 O4'-C1'-N19 110.205 3.006 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' C' C ' 15' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.535 2.955 0 O4'-C1'-N19 110.274 3.092 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 2.3 mpt? . . . . . 0 N--CA 1.449 -0.517 0 N-CA-C 107.967 -1.123 . . . . 0.0 107.967 . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' A' A ' 2' ' ' HIS . . . . . . . . . . . . . 4.1 m-70 -79.04 89.62 4.79 Favored 'General case' 0 N--CA 1.456 -0.164 0 N-CA-C 106.75 -1.574 . . . . 0.0 106.75 169.192 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . 10.2 mt -78.66 118.15 25.41 Favored 'Isoleucine or valine' 0 N--CA 1.446 -0.653 0 N-CA-C 107.974 -1.121 . . . . 0.0 107.974 -174.585 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -62.22 124.92 22.17 Favored 'General case' 0 N--CA 1.446 -0.649 0 N-CA-C 108.605 -0.887 . . . . 0.0 108.605 170.468 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 4.7 mptp? -61.24 157.98 40.03 Favored Pre-proline 0 CA--C 1.535 0.4 0 C-N-CA 123.735 0.814 . . . . 0.0 109.145 178.057 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 61.5 Cg_endo -65.82 91.83 0.25 Allowed 'Trans proline' 0 N--CA 1.45 -1.035 0 C-N-CA 121.826 1.684 . . . . 0.0 109.08 171.009 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 9.6 mp -39.25 118.26 0.78 Allowed 'General case' 0 C--N 1.338 0.108 0 C-N-CA 125.334 1.454 . . . . 0.0 112.128 176.678 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 4.6 p30 -71.51 177.79 3.84 Favored 'General case' 0 N--CA 1.443 -0.794 0 CA-C-O 122.453 1.12 . . . . 0.0 111.691 177.298 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 9' ' ' ALA . . . . . 0.439 ' CB ' ' HB3' ' A' ' 52' ' ' TYR . . . -38.53 -62.91 0.55 Allowed 'General case' 0 N--CA 1.445 -0.681 0 C-N-CA 126.784 2.034 . . . . 0.0 113.567 -179.624 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 10' ' ' PHE . . . . . . . . . . . . . 5.6 m-85 -70.85 -27.07 63.57 Favored 'General case' 0 N--CA 1.452 -0.345 0 O-C-N 121.599 -0.688 . . . . 0.0 110.952 -170.219 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 11' ' ' MET . . . . . . . . . . . . . 69.7 mmm -66.24 -44.67 83.1 Favored 'General case' 0 N--CA 1.452 -0.343 0 N-CA-C 108.643 -0.873 . . . . 0.0 108.643 177.816 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 64.2 mt -61.96 -45.15 94.93 Favored 'General case' 0 C--N 1.334 -0.083 0 O-C-N 121.794 -0.566 . . . . 0.0 110.126 174.177 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 12.8 t80 -54.23 -44.95 72.17 Favored 'General case' 0 CA--C 1.53 0.201 0 C-N-CA 120.512 -0.475 . . . . 0.0 109.921 178.64 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 14' ' ' MET . . . . . . . . . . . . . 24.5 ttm -54.87 -60.38 3.44 Favored 'General case' 0 N--CA 1.451 -0.39 0 C-N-CA 123.318 0.647 . . . . 0.0 110.288 171.469 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 4.9 mtpm? -48.96 -43.94 40.31 Favored 'General case' 0 CA--C 1.534 0.345 0 CA-C-N 119.183 0.901 . . . . 0.0 111.701 -176.715 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 48.2 mt-10 -68.4 -63.62 1.02 Allowed 'General case' 0 CA--C 1.536 0.409 0 C-N-CA 123.017 0.527 . . . . 0.0 111.811 179.498 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 17' ' ' MET . . . . . . . . . . . . . 8.9 mtp -83.29 -28.44 29.11 Favored 'General case' 0 C--O 1.226 -0.132 0 N-CA-C 114.584 1.327 . . . . 0.0 114.584 -169.072 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 18' ' ' ARG . . . . . 0.402 ' HG2' ' CG2' ' A' ' 33' ' ' ILE . 7.1 tmm_? -57.71 -41.96 82.82 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 118.978 0.808 . . . . 0.0 111.747 -169.944 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -54.71 -47.82 73.24 Favored 'General case' 0 CA--C 1.533 0.296 0 O-C-N 122.054 -0.403 . . . . 0.0 110.557 172.505 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 20' ' ' ASN . . . . . . . . . . . . . 1.7 t30 -58.21 -50.47 73.43 Favored 'General case' 0 C--O 1.222 -0.358 0 N-CA-C 109.505 -0.554 . . . . 0.0 109.505 175.655 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 74.3 t -51.67 -52.81 19.55 Favored 'Isoleucine or valine' 0 C--N 1.334 -0.101 0 CA-C-N 119.04 0.837 . . . . 0.0 110.572 178.975 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 55.2 t -58.77 -36.75 62.32 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.473 0 C-N-CA 122.883 0.473 . . . . 0.0 110.501 -178.882 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -67.32 -47.56 70.16 Favored 'General case' 0 CA--C 1.539 0.546 0 N-CA-C 112.524 0.565 . . . . 0.0 112.524 173.278 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 32.6 mt-10 -68.71 -52.32 32.02 Favored 'General case' 0 CA--C 1.53 0.194 0 C-N-CA 123.396 0.679 . . . . 0.0 111.397 -174.887 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 55.9 p -89.49 177.05 6.66 Favored 'General case' 0 N--CA 1.451 -0.418 0 C-N-CA 124.086 0.954 . . . . 0.0 110.974 -169.594 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 3.7 p -81.4 -12.24 59.02 Favored 'General case' 0 N--CA 1.445 -0.682 0 C-N-CA 123.754 0.822 . . . . 0.0 110.989 169.731 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 4.1 mm? -82.75 153.23 25.38 Favored 'General case' 0 N--CA 1.447 -0.597 0 CA-C-N 119.247 0.93 . . . . 0.0 113.171 -169.857 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 2.0 mptp? -139.79 -32.22 0.64 Allowed 'General case' 0 CA--C 1.532 0.262 0 CA-C-N 113.67 -1.604 . . . . 0.0 110.711 168.086 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 2.8 mp0 -52.67 112.14 0.78 Allowed 'General case' 0 N--CA 1.451 -0.413 0 C-N-CA 125.259 1.424 . . . . 0.0 107.946 -173.687 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 9.4 t -56.81 -34.54 67.79 Favored 'General case' 0 N--CA 1.445 -0.72 0 N-CA-C 113.498 0.925 . . . . 0.0 113.498 -168.075 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -65.39 -39.63 92.48 Favored 'General case' 0 CA--C 1.534 0.331 0 CA-C-N 120.143 1.338 . . . . 0.0 112.551 177.446 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -69.06 -48.16 63.47 Favored 'General case' 0 C--N 1.335 -0.047 0 O-C-N 121.399 -0.813 . . . . 0.0 108.91 176.221 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 33' ' ' ILE . . . . . 0.402 ' CG2' ' HG2' ' A' ' 18' ' ' ARG . 8.1 mm -56.65 -41.17 73.43 Favored 'Isoleucine or valine' 0 CA--C 1.542 0.654 0 C-N-CA 124.091 0.956 . . . . 0.0 111.236 178.881 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 3.2 m-80 -56.02 -48.03 76.71 Favored 'General case' 0 N--CA 1.463 0.199 0 O-C-N 120.825 -1.172 . . . . 0.0 111.137 172.22 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 36.8 mt-30 -62.87 -36.6 83.82 Favored 'General case' 0 CA--C 1.533 0.311 0 C-N-CA 120.235 -0.586 . . . . 0.0 110.743 176.133 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 42.0 mt -56.29 -50.36 71.93 Favored 'Isoleucine or valine' 0 CA--C 1.537 0.449 0 CA-C-N 118.714 0.688 . . . . 0.0 110.542 170.641 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 4.1 mm? -53.07 -47.03 68.81 Favored 'General case' 0 CA--C 1.537 0.464 0 CA-C-N 120.068 1.304 . . . . 0.0 110.105 172.715 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -49.54 -51.07 28.77 Favored Glycine 0 CA--C 1.532 1.137 0 C-N-CA 123.938 0.78 . . . . 0.0 112.055 176.148 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 1.6 tmt_? -56.43 -62.77 1.49 Allowed 'General case' 0 N--CA 1.449 -0.481 0 O-C-N 121.836 -0.802 . . . . 0.0 109.168 173.34 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 57.3 mtt180 -56.85 -24.28 50.22 Favored 'General case' 0 N--CA 1.456 -0.141 0 C-N-CA 123.766 0.827 . . . . 0.0 112.283 -171.737 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 41' ' ' TRP . . . . . . . . . . . . . 64.1 t-105 -49.49 -40.45 37.41 Favored 'General case' 0 N--CA 1.454 -0.264 0 CA-C-N 118.845 0.748 . . . . 0.0 111.174 172.865 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 42' ' ' HIS . . . . . . . . . . . . . 71.0 m80 -60.7 -19.63 59.1 Favored 'General case' 0 N--CA 1.453 -0.284 0 C-N-CA 123.702 0.801 . . . . 0.0 112.587 -176.974 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -79.25 -18.41 52.85 Favored 'General case' 0 CA--C 1.534 0.362 0 CA-C-N 118.072 0.396 . . . . 0.0 111.5 177.182 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 31.0 mt -70.54 124.82 25.15 Favored 'General case' 0 N--CA 1.453 -0.294 0 CA-C-N 118.662 0.664 . . . . 0.0 110.362 -179.628 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 78.6 p -56.96 160.86 3.29 Favored 'General case' 0 CA--C 1.531 0.237 0 N-CA-C 109.53 -0.544 . . . . 0.0 109.53 169.139 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 61.9 ttp85 -45.68 -44.87 13.82 Favored 'General case' 0 CA--C 1.536 0.425 0 C-N-CA 123.147 0.579 . . . . 0.0 110.773 173.883 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 58.4 mp0 -65.46 -50.82 63.94 Favored 'General case' 0 N--CA 1.45 -0.442 0 C-N-CA 123.766 0.827 . . . . 0.0 111.126 179.989 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 33.0 mt-10 -55.97 -43.17 77.31 Favored 'General case' 0 CA--C 1.529 0.149 0 C-N-CA 120.889 -0.324 . . . . 0.0 110.801 176.715 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 75.1 mt-30 -56.77 -59.79 4.5 Favored 'General case' 0 N--CA 1.454 -0.225 0 N-CA-C 108.917 -0.771 . . . . 0.0 108.917 174.17 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -47.65 -42.93 25.65 Favored 'General case' 0 CA--C 1.531 0.227 0 C-N-CA 123.754 0.821 . . . . 0.0 112.042 -178.149 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 9.8 pttt -45.77 -43.06 12.78 Favored 'General case' 0 CA--C 1.533 0.316 0 C-N-CA 123.03 0.532 . . . . 0.0 111.241 177.158 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 52' ' ' TYR . . . . . 0.439 ' HB3' ' CB ' ' A' ' 9' ' ' ALA . 40.9 m-85 -62.31 -35.02 77.76 Favored 'General case' 0 N--CA 1.454 -0.272 0 N-CA-C 112.801 0.667 . . . . 0.0 112.801 -178.348 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 53' ' ' TYR . . . . . . . . . . . . . 30.6 m-85 -70.74 -36.95 73.4 Favored 'General case' 0 N--CA 1.451 -0.399 0 N-CA-C 107.77 -1.196 . . . . 0.0 107.77 -176.002 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 33.5 mm-40 -62.44 -59.08 5.48 Favored 'General case' 0 CA--C 1.533 0.314 0 N-CA-C 109.903 -0.406 . . . . 0.0 109.903 169.71 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 6.4 mp -45.16 -50.14 11.57 Favored 'General case' 0 C--O 1.226 -0.182 0 C-N-CA 124.095 0.958 . . . . 0.0 113.251 177.017 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -50.31 -44.85 54.27 Favored 'General case' 0 CA--C 1.536 0.429 0 CA-C-O 121.24 0.543 . . . . 0.0 110.017 176.752 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 45.6 mtt85 -71.79 -36.22 70.25 Favored 'General case' 0 CA--C 1.532 0.253 0 C-N-CA 122.787 0.435 . . . . 0.0 111.412 178.668 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 31.9 mmtp -58.57 -47.66 83.5 Favored 'General case' 0 CA--C 1.533 0.316 0 CA-C-N 119.658 1.117 . . . . 0.0 110.245 172.548 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 33.6 mm-40 -56.25 -47.81 77.78 Favored 'General case' 0 CA--C 1.53 0.176 0 C-N-CA 123.107 0.563 . . . . 0.0 109.961 173.743 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 60' ' ' ARG . . . . . . . . . . . . . 44.8 ttt-85 -52.36 -54.11 35.99 Favored 'General case' 0 CA--C 1.538 0.481 0 C-N-CA 123.031 0.532 . . . . 0.0 111.242 175.825 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 61' ' ' GLN . . . . . . . . . . . . . 32.9 mt-30 -58.18 -50.75 72.43 Favored 'General case' 0 CA--C 1.529 0.167 0 C-N-CA 124.09 0.956 . . . . 0.0 110.135 -179.589 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 46.7 tp -50.27 -50.15 51.09 Favored 'General case' 0 CA--C 1.528 0.128 0 N-CA-C 109.316 -0.624 . . . . 0.0 109.316 174.568 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 63' ' ' HIS . . . . . . . . . . . . . 4.2 t-80 -52.91 -39.47 62.78 Favored 'General case' 0 N--CA 1.453 -0.323 0 C-N-CA 124.543 1.137 . . . . 0.0 111.988 -178.838 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 64' ' ' MET . . . . . . . . . . . . . 74.5 mmm -58.05 -35.73 71.75 Favored 'General case' 0 CA--C 1.531 0.241 0 CA-C-N 118.091 0.405 . . . . 0.0 111.064 176.09 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 65' ' ' GLN . . . . . . . . . . . . . 18.7 mt-30 -79.06 -45.17 20.67 Favored 'General case' 0 N--CA 1.455 -0.194 0 N-CA-C 108.993 -0.743 . . . . 0.0 108.993 -179.183 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 25.5 mt -52.7 -46.23 67.22 Favored 'General case' 0 CA--C 1.531 0.243 0 C-N-CA 122.62 0.368 . . . . 0.0 110.179 176.255 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 67' ' ' TYR . . . . . . . . . . . . . 95.0 m-85 -136.64 96.86 11.76 Favored Pre-proline 0 N--CA 1.452 -0.366 0 C-N-CA 123.84 0.856 . . . . 0.0 110.326 -176.157 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 68' ' ' PRO . . . . . . . . . . . . . 50.6 Cg_exo -54.46 -56.55 2.39 Favored 'Trans proline' 0 N--CA 1.453 -0.874 0 C-N-CA 122.621 2.214 . . . . 0.0 108.376 169.134 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . -80.0 54.79 4.5 Favored Glycine 0 C--N 1.337 0.593 0 N-CA-C 110.315 -1.114 . . . . 0.0 110.315 169.571 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 70' ' ' TRP . . . . . . . . . . . . . 2.0 t90 -61.36 110.97 1.58 Allowed 'General case' 0 N--CA 1.449 -0.497 0 N-CA-C 105.87 -1.9 . . . . 0.0 105.87 168.893 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 24.1 m -119.92 56.19 0.96 Allowed 'General case' 0 CA--C 1.54 0.563 0 C-N-CA 123.909 0.884 . . . . 0.0 111.553 -170.775 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -39.61 -45.19 1.59 Allowed 'General case' 0 N--CA 1.479 1.023 0 C-N-CA 124.455 1.102 . . . . 0.0 112.951 -176.02 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 73' ' ' ARG . . . . . 0.652 ' H ' ' CD ' ' A' ' 73' ' ' ARG . 0.0 OUTLIER -53.89 -39.3 65.62 Favored 'General case' 0 N--CA 1.437 -1.105 0 C-N-CA 126.582 1.953 . . . . 0.0 109.79 -169.788 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 74' ' ' ASP . . . . . . . . . . . . . 27.3 t70 -53.13 -31.05 40.28 Favored 'General case' 0 CA--C 1.531 0.235 0 C-N-CA 123.599 0.76 . . . . 0.0 112.017 176.655 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 75' ' ' ASN . . . . . . . . . . . . . 9.4 m120 -100.74 3.11 41.97 Favored 'General case' 0 N--CA 1.455 -0.194 0 C-N-CA 124.207 1.003 . . . . 0.0 111.951 -174.608 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 76' ' ' TYR . . . . . . . . . . . . . 66.7 t80 -78.55 67.15 4.25 Favored 'General case' 0 CA--C 1.533 0.318 0 CA-C-N 119.35 0.977 . . . . 0.0 109.907 -177.297 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 146.67 71.48 0.01 OUTLIER Glycine 0 CA--C 1.526 0.772 0 N-CA-C 109.251 -1.54 . . . . 0.0 109.251 -174.796 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 44.6 mmtm -137.11 -56.41 0.71 Allowed 'General case' 0 CA--C 1.53 0.183 0 C-N-CA 125.099 1.359 . . . . 0.0 109.933 179.58 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 72.1 mttt -75.84 137.97 40.81 Favored 'General case' 0 N--CA 1.454 -0.24 0 N-CA-C 108.233 -1.025 . . . . 0.0 108.233 173.142 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 60.5 mttp -76.17 150.33 37.16 Favored 'General case' 0 CA--C 1.532 0.271 0 N-CA-C 107.043 -1.466 . . . . 0.0 107.043 168.898 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 46.8 tttp -128.88 157.62 41.05 Favored 'General case' 0 CA--C 1.532 0.251 0 C-N-CA 124.328 1.051 . . . . 0.0 109.812 -169.923 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 82' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -127.44 -175.97 3.61 Favored 'General case' 0 CA--C 1.538 0.507 0 C-N-CA 128.525 2.73 . . . . 0.0 108.664 -177.116 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . 22.2 mttp 63.97 -65.07 0.13 Allowed 'General case' 0 CA--C 1.534 0.333 0 C-N-CA 127.068 2.147 . . . . 0.0 116.658 168.783 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 84' ' ' ARG . . . . . . . . . . . . . 7.6 mpt_? 56.23 -91.4 0.03 OUTLIER 'General case' 0 CA--C 1.533 0.301 0 C-N-CA 124.71 1.204 . . . . 0.0 109.925 -169.46 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 70.8 mt-10 -110.36 4.08 20.37 Favored 'General case' 0 C--N 1.338 0.098 0 C-N-CA 124.599 1.16 . . . . 0.0 113.216 -178.024 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 53.6 mtmt . . . . . 0 C--N 1.329 -0.293 0 N-CA-C 109.047 -0.723 . . . . 0.0 109.047 175.938 . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' B' B ' 1' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.53 2.426 2 O4'-C1'-N19 112.007 5.259 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 2' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.536 3.098 0 P-O3'-C3' 123.73 3.358 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' B' B ' 3' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.417 -2.612 0 P-O3'-C3' 122.851 2.626 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' B' B ' 4' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.412 -3.081 0 O4'-C4'-C3' 108.469 2.869 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' B' B ' 5' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.406 -3.66 0 P-O3'-C3' 122.878 2.649 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' B' B ' 6' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.405 -3.716 0 C4'-C3'-C2' 100.119 -3.081 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' B' B ' 7' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.418 -2.569 0 C4'-C3'-C2' 99.965 -3.235 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' B' B ' 8' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.409 -3.38 0 O4'-C4'-C3' 108.475 2.875 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' B' B ' 9' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.418 -2.504 0 P-O3'-C3' 123.208 2.923 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' B' B ' 10' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.536 3.108 0 P-O3'-C3' 122.702 2.502 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' B' B ' 11' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.42 -2.386 2 O4'-C1'-N19 112.928 6.41 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 12' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.408 -3.473 1 O4'-C4'-C3' 110.232 4.632 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 13' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.411 -3.179 1 O4'-C1'-N19 111.255 4.318 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 14' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.533 2.728 0 O4'-C1'-N19 110.595 3.494 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' B' B ' 15' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.412 -3.075 0 O4'-C1'-N19 110.128 2.91 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' C' C ' 1' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.416 -2.77 1 O4'-C1'-N19 112.379 5.724 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' C' C ' 2' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.418 -2.565 0 O4'-C1'-N19 110.522 3.403 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' C' C ' 3' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.415 -2.785 1 O4'-C1'-N19 114.518 8.398 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' C' C ' 4' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.535 2.945 0 O4'-C1'-N19 110.779 3.724 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' C' C ' 5' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.415 -2.793 0 P-O3'-C3' 122.932 2.693 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' C' C ' 6' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.416 -2.719 1 O4'-C1'-N19 111.298 4.372 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' C' C ' 7' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.416 -2.691 0 O4'-C4'-C3' 109.418 3.818 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' C' C ' 8' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.408 -3.461 1 C4'-C3'-C2' 98.881 -4.319 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' C' C ' 9' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.411 -3.157 0 C5'-C4'-C3' 110.994 -2.471 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' C' C ' 10' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.416 -2.699 1 O4'-C1'-N19 112.005 5.256 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' C' C ' 11' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.532 2.686 1 O4'-C1'-N19 111.714 4.893 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' C' C ' 12' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.529 2.292 0 O3'-P-O5' 98.472 -2.909 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' C' C ' 13' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.533 2.767 0 O4'-C4'-C3' 108.144 2.544 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' C' C ' 14' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.411 -3.21 0 O4'-C1'-N19 110.471 3.339 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' C' C ' 15' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.416 -2.743 1 O4'-C1'-N19 111.191 4.239 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 14.4 tpt . . . . . 0 N--CA 1.453 -0.315 0 N-CA-C 108.882 -0.784 . . . . 0.0 108.882 . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' A' A ' 2' ' ' HIS . . . . . . . . . . . . . 91.4 m-70 -76.26 94.56 3.58 Favored 'General case' 0 N--CA 1.453 -0.323 0 CA-C-N 115.853 -0.612 . . . . 0.0 109.855 -178.876 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . 94.9 mt -78.95 88.69 1.24 Allowed 'Isoleucine or valine' 0 N--CA 1.455 -0.18 0 N-CA-C 104.661 -2.348 . . . . 0.0 104.661 169.242 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 4' ' ' LYS . . . . . 0.442 ' HB3' ' NZ ' ' A' ' 5' ' ' LYS . 4.7 mmmm -39.4 126.2 1.76 Allowed 'General case' 0 N--CA 1.447 -0.584 0 C-N-CA 128.31 2.644 . . . . 0.0 111.125 -174.008 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 5' ' ' LYS . . . . . 0.74 ' HE2' " C1'" ' C' ' 8' ' ' ' DA' . 0.0 OUTLIER -57.85 175.89 0.26 Allowed Pre-proline 0 CA--C 1.546 0.803 0 C-N-CA 126.265 1.826 . . . . 0.0 109.073 169.789 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 31.9 Cg_exo -69.7 111.39 2.78 Favored 'Trans proline' 0 CA--C 1.541 0.852 0 C-N-CA 121.553 1.502 . . . . 0.0 110.702 169.555 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 6.6 mt -56.66 117.49 3.95 Favored 'General case' 0 C--N 1.343 0.313 0 CA-C-N 119.174 0.897 . . . . 0.0 109.402 169.567 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 6.3 p30 -80.62 178.4 8.37 Favored 'General case' 0 N--CA 1.449 -0.515 0 CA-C-O 122.074 0.94 . . . . 0.0 111.958 179.073 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 9' ' ' ALA . . . . . 0.431 ' CB ' ' HB3' ' A' ' 52' ' ' TYR . . . -38.88 -64.1 0.47 Allowed 'General case' 0 N--CA 1.448 -0.571 0 C-N-CA 126.846 2.058 . . . . 0.0 114.063 178.601 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 10' ' ' PHE . . . . . . . . . . . . . 5.5 m-85 -69.74 -26.37 64.29 Favored 'General case' 0 N--CA 1.455 -0.224 0 O-C-N 121.499 -0.751 . . . . 0.0 111.11 -169.635 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 11' ' ' MET . . . . . . . . . . . . . 43.5 mmm -62.88 -46.67 86.79 Favored 'General case' 0 N--CA 1.453 -0.286 0 N-CA-C 108.317 -0.994 . . . . 0.0 108.317 176.346 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 47.4 mt -63.93 -43.77 94.89 Favored 'General case' 0 C--N 1.332 -0.185 0 O-C-N 121.98 -0.45 . . . . 0.0 109.849 176.798 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 14.8 t80 -54.46 -45.07 73.04 Favored 'General case' 0 C--N 1.34 0.179 0 N-CA-C 109.603 -0.517 . . . . 0.0 109.603 178.734 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 14' ' ' MET . . . . . . . . . . . . . 20.1 ttm -56.17 -61.55 2.31 Favored 'General case' 0 N--CA 1.446 -0.644 0 CA-C-O 118.605 -0.712 . . . . 0.0 109.981 172.653 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 5.3 mtpm? -47.34 -41.29 19.17 Favored 'General case' 0 CA--C 1.535 0.4 0 CA-C-N 119.402 1.001 . . . . 0.0 111.96 -177.179 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 46.9 mt-10 -71.88 -69.6 0.38 Allowed 'General case' 0 CA--C 1.538 0.497 0 C-N-CA 123.106 0.562 . . . . 0.0 112.34 177.832 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 17' ' ' MET . . . . . . . . . . . . . 7.6 mtp -79.9 -26.97 40.03 Favored 'General case' 0 CA--C 1.523 -0.069 0 N-CA-C 114.581 1.326 . . . . 0.0 114.581 -169.047 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 6.8 tmm_? -58.91 -41.87 88.29 Favored 'General case' 0 C--N 1.327 -0.396 0 O-C-N 121.304 -0.873 . . . . 0.0 111.186 -171.774 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -51.79 -47.89 64.04 Favored 'General case' 0 CA--C 1.533 0.288 0 O-C-N 122.137 -0.352 . . . . 0.0 110.452 172.598 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 20' ' ' ASN . . . . . . . . . . . . . 4.4 t30 -59.63 -51.07 71.37 Favored 'General case' 0 C--O 1.224 -0.271 0 CA-C-O 119.111 -0.471 . . . . 0.0 109.874 176.023 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 73.2 t -50.64 -51.12 20.53 Favored 'Isoleucine or valine' 0 N--CA 1.461 0.114 0 CA-C-N 118.968 0.803 . . . . 0.0 110.859 178.152 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 46.9 t -61.89 -36.87 76.4 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.398 0 C-N-CA 122.82 0.448 . . . . 0.0 109.932 -177.703 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -65.26 -46.66 79.62 Favored 'General case' 0 CA--C 1.539 0.525 0 O-C-N 121.871 -0.518 . . . . 0.0 112.185 173.347 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 27.6 mt-10 -69.18 -52.76 24.73 Favored 'General case' 0 CA--C 1.531 0.226 0 CA-C-O 121.112 0.482 . . . . 0.0 111.484 -176.219 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 54.5 p -85.35 175.32 8.96 Favored 'General case' 0 N--CA 1.453 -0.32 0 C-N-CA 124.139 0.975 . . . . 0.0 110.774 -169.921 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 4.9 p -83.91 -10.84 57.68 Favored 'General case' 0 N--CA 1.45 -0.444 0 C-N-CA 123.892 0.877 . . . . 0.0 111.442 170.589 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -89.55 156.67 18.46 Favored 'General case' 0 N--CA 1.45 -0.463 0 CA-C-O 122.162 0.982 . . . . 0.0 113.007 -169.71 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 8.1 mptt -136.34 -44.62 0.62 Allowed 'General case' 0 N--CA 1.449 -0.483 0 CA-C-N 113.774 -1.557 . . . . 0.0 109.392 174.593 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 2.5 mp0 -39.25 104.9 0.04 OUTLIER 'General case' 0 C--O 1.237 0.404 0 C-N-CA 127.239 2.216 . . . . 0.0 109.658 -175.067 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 8.8 t -55.1 -37.86 67.38 Favored 'General case' 0 N--CA 1.448 -0.534 0 N-CA-C 112.962 0.727 . . . . 0.0 112.962 -168.044 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -63.43 -33.97 76.72 Favored 'General case' 0 CA--C 1.535 0.371 0 CA-C-N 119.503 1.047 . . . . 0.0 112.603 179.31 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -76.04 -49.46 17.49 Favored 'General case' 0 CA--C 1.531 0.233 0 CA-C-O 121.856 0.836 . . . . 0.0 109.416 175.478 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 33' ' ' ILE . . . . . . . . . . . . . 6.2 mm -54.34 -35.8 31.72 Favored 'Isoleucine or valine' 0 CA--C 1.547 0.839 0 C-N-CA 124.91 1.284 . . . . 0.0 111.574 177.828 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 3.4 m-80 -57.88 -44.95 87.02 Favored 'General case' 0 N--CA 1.462 0.156 0 C-N-CA 124.426 1.09 . . . . 0.0 112.089 169.818 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 42.5 mt-30 -68.03 -37.8 81.8 Favored 'General case' 0 N--CA 1.453 -0.315 0 O-C-N 121.808 -0.558 . . . . 0.0 109.881 178.298 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 21.7 mt -52.71 -53.36 21.07 Favored 'Isoleucine or valine' 0 C--N 1.341 0.237 0 N-CA-C 109.382 -0.599 . . . . 0.0 109.382 169.556 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 10.5 mt -57.28 -41.92 80.67 Favored 'General case' 0 CA--C 1.534 0.343 0 CA-C-N 118.983 0.81 . . . . 0.0 111.516 177.01 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -48.57 -51.25 22.92 Favored Glycine 0 CA--C 1.53 1.03 0 C-N-CA 123.955 0.788 . . . . 0.0 111.386 172.933 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 1.1 tmt_? -57.96 -62.81 1.54 Allowed 'General case' 0 N--CA 1.449 -0.5 0 O-C-N 121.901 -0.764 . . . . 0.0 109.68 171.993 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 81.5 mtt180 -57.63 -22.54 46.08 Favored 'General case' 0 C--O 1.231 0.122 0 C-N-CA 123.67 0.788 . . . . 0.0 112.78 -169.705 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 41' ' ' TRP . . . . . . . . . . . . . 65.6 t-105 -47.67 -42.11 23.99 Favored 'General case' 0 N--CA 1.452 -0.325 0 CA-C-N 118.866 0.757 . . . . 0.0 111.272 170.733 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 42' ' ' HIS . . . . . . . . . . . . . 74.2 m80 -60.98 -18.6 58.27 Favored 'General case' 0 N--CA 1.453 -0.289 0 C-N-CA 123.777 0.831 . . . . 0.0 112.734 -176.076 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -79.07 -18.47 53.35 Favored 'General case' 0 CA--C 1.534 0.335 0 CA-C-N 118.04 0.382 . . . . 0.0 111.578 176.718 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 36.1 mt -69.34 125.26 26.14 Favored 'General case' 0 N--CA 1.453 -0.28 0 CA-C-N 118.658 0.663 . . . . 0.0 110.472 -179.803 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 82.4 p -57.6 160.59 4.19 Favored 'General case' 0 CA--C 1.532 0.253 0 N-CA-C 109.455 -0.572 . . . . 0.0 109.455 169.349 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 41.8 ttm180 -48.87 -41.79 34.51 Favored 'General case' 0 CA--C 1.534 0.364 0 O-C-N 122.023 -0.423 . . . . 0.0 110.801 175.878 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 2.5 mp0 -63.42 -52.32 62.06 Favored 'General case' 0 N--CA 1.453 -0.308 0 C-N-CA 123.986 0.914 . . . . 0.0 111.033 178.387 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 34.2 mt-10 -56.59 -43.41 80.07 Favored 'General case' 0 CA--C 1.529 0.142 0 CA-C-O 119.641 -0.219 . . . . 0.0 110.668 177.361 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 73.7 mt-30 -56.72 -58.82 6.46 Favored 'General case' 0 N--CA 1.454 -0.256 0 N-CA-C 109.058 -0.719 . . . . 0.0 109.058 174.369 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -46.94 -43.62 19.23 Favored 'General case' 0 C--O 1.235 0.335 0 C-N-CA 124.064 0.946 . . . . 0.0 112.063 -179.119 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 8.1 pttt -46.48 -42.17 15.1 Favored 'General case' 0 CA--C 1.532 0.285 0 C-N-CA 123.254 0.622 . . . . 0.0 111.327 176.514 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 52' ' ' TYR . . . . . 0.431 ' HB3' ' CB ' ' A' ' 9' ' ' ALA . 44.0 m-85 -65.34 -34.78 79.13 Favored 'General case' 0 CA--C 1.515 -0.398 0 O-C-N 121.471 -0.768 . . . . 0.0 112.931 -179.63 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 53' ' ' TYR . . . . . . . . . . . . . 48.0 m-85 -72.98 -40.17 65.51 Favored 'General case' 0 N--CA 1.45 -0.427 0 N-CA-C 107.469 -1.308 . . . . 0.0 107.469 -177.928 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 80.3 mm-40 -54.12 -62.39 1.68 Allowed 'General case' 0 CA--C 1.536 0.411 0 N-CA-C 109.327 -0.62 . . . . 0.0 109.327 169.591 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 5.3 mp -47.94 -51.57 22.99 Favored 'General case' 0 C--O 1.226 -0.181 0 C-N-CA 124.49 1.116 . . . . 0.0 113.456 178.048 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -53.24 -46.11 69.02 Favored 'General case' 0 C--N 1.329 -0.298 0 N-CA-C 109.497 -0.557 . . . . 0.0 109.497 177.89 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 87.0 mtm180 -66.41 -33.35 75.52 Favored 'General case' 0 CA--C 1.536 0.426 0 O-C-N 121.863 -0.523 . . . . 0.0 112.113 175.961 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 70.3 mmtt -60.25 -49.2 78.55 Favored 'General case' 0 CA--C 1.53 0.208 0 O-C-N 120.705 -1.247 . . . . 0.0 109.984 171.554 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 23.0 mm-40 -55.23 -49.31 72.32 Favored 'General case' 0 CA--C 1.535 0.377 0 C-N-CA 123.087 0.555 . . . . 0.0 110.269 175.377 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 60' ' ' ARG . . . . . . . . . . . . . 65.3 ttt-85 -51.92 -52.84 47.14 Favored 'General case' 0 CA--C 1.533 0.323 0 C-N-CA 123.925 0.89 . . . . 0.0 110.952 176.988 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 61' ' ' GLN . . . . . . . . . . . . . 32.1 mt-30 -62.0 -49.76 74.79 Favored 'General case' 0 CA--C 1.53 0.208 0 O-C-N 121.975 -0.453 . . . . 0.0 110.779 178.855 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 42.1 tp -48.41 -47.42 37.8 Favored 'General case' 0 CA--C 1.526 0.057 0 C-N-CA 123.85 0.86 . . . . 0.0 109.766 177.372 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 63' ' ' HIS . . . . . . . . . . . . . 1.9 t-80 -48.35 -40.91 27.01 Favored 'General case' 0 CA--C 1.532 0.258 0 C-N-CA 123.452 0.701 . . . . 0.0 112.269 177.588 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 64' ' ' MET . . . . . . . . . . . . . 70.8 mtp -65.86 -29.9 70.42 Favored 'General case' 0 CA--C 1.531 0.247 0 CA-C-N 118.087 0.403 . . . . 0.0 110.89 179.923 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 65' ' ' GLN . . . . . . . . . . . . . 17.4 mt-30 -78.96 -46.08 19.06 Favored 'General case' 0 N--CA 1.452 -0.328 0 N-CA-C 108.464 -0.939 . . . . 0.0 108.464 179.385 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 52.5 mt -60.58 -49.2 78.49 Favored 'General case' 0 CA--C 1.533 0.291 0 C-N-CA 122.721 0.408 . . . . 0.0 111.092 179.1 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 67' ' ' TYR . . . . . . . . . . . . . 84.9 m-85 -134.86 78.49 54.45 Favored Pre-proline 0 CA--C 1.532 0.284 0 C-N-CA 124.109 0.963 . . . . 0.0 110.588 -174.484 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 68' ' ' PRO . . . . . . . . . . . . . 33.2 Cg_endo -59.48 -22.45 66.35 Favored 'Trans proline' 0 N--CA 1.458 -0.569 0 C-N-CA 123.086 2.524 . . . . 0.0 113.501 -175.36 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . -125.3 31.08 4.34 Favored Glycine 0 C--N 1.338 0.667 0 CA-C-O 119.299 -0.723 . . . . 0.0 112.894 173.995 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 70' ' ' TRP . . . . . . . . . . . . . 13.3 t90 -69.36 120.67 15.53 Favored 'General case' 0 N--CA 1.457 -0.124 0 N-CA-C 106.228 -1.768 . . . . 0.0 106.228 168.268 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 69.4 m -56.34 145.89 25.7 Favored 'General case' 0 CA--C 1.5 -0.966 0 N-CA-C 112.352 0.501 . . . . 0.0 112.352 173.828 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 72' ' ' ALA . . . . . 0.834 ' HB1' " H5'" ' B' ' 12' ' ' ' DG' . . . -56.88 133.05 54.23 Favored 'General case' 0 N--CA 1.433 -1.314 0 N-CA-C 100.341 -3.948 . . . . 0.0 100.341 165.258 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 73' ' ' ARG . . . . . 0.646 ' H ' ' CD ' ' A' ' 73' ' ' ARG 0.276 0.0 OUTLIER 2.44 81.67 0.0 OUTLIER 'General case' 0 C--N 1.313 -0.981 0 C-N-CA 130.654 3.582 . . . . 0.0 118.634 -159.841 . . . . . . . . 4 4 . 1 . 012 nuclear nobuild full ' A' A ' 74' ' ' ASP . . . . . . . . . . . . . 19.5 p-10 -57.17 -40.52 77.49 Favored 'General case' 0 CA--C 1.537 0.453 0 CA-C-N 113.425 -1.716 . . . . 0.0 108.054 166.236 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 75' ' ' ASN . . . . . . . . . . . . . 29.2 m120 -79.57 12.21 2.65 Favored 'General case' 0 CA--C 1.533 0.32 0 C-N-CA 125.04 1.336 . . . . 0.0 112.192 -177.074 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 76' ' ' TYR . . . . . . . . . . . . . 16.4 t80 -59.21 124.64 20.65 Favored 'General case' 0 N--CA 1.455 -0.18 0 CA-C-N 120.184 1.356 . . . . 0.0 111.068 -178.955 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 57.99 27.36 59.57 Favored Glycine 0 CA--C 1.53 1.015 0 CA-C-O 118.464 -1.187 . . . . 0.0 113.162 -175.504 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 11.4 mptt -85.87 -26.41 25.66 Favored 'General case' 0 C--N 1.341 0.236 0 CA-C-N 119.459 1.63 . . . . 0.0 110.517 169.99 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 40.7 mttm -62.58 132.38 52.19 Favored 'General case' 0 CA--C 1.534 0.35 0 N-CA-C 106.939 -1.504 . . . . 0.0 106.939 168.941 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -83.9 56.26 3.61 Favored 'General case' 0 N--CA 1.463 0.207 0 O-C-N 121.274 -0.891 . . . . 0.0 109.291 -172.898 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 19.7 ptmt -62.23 120.71 11.47 Favored 'General case' 0 N--CA 1.449 -0.522 0 CA-C-N 115.753 -0.658 . . . . 0.0 111.791 -169.339 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 82' ' ' ARG . . . . . . . . . . . . . 64.2 mtt85 -44.88 -46.68 10.99 Favored 'General case' 0 C--N 1.343 0.283 0 C-N-CA 124.03 0.932 . . . . 0.0 111.543 -179.011 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . 66.4 mttm -47.13 -47.91 23.3 Favored 'General case' 0 CA--C 1.535 0.397 0 C-N-CA 124.131 0.973 . . . . 0.0 112.096 176.651 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 84' ' ' ARG . . . . . . . . . . . . . 1.5 tmm_? -83.96 67.95 9.82 Favored 'General case' 0 C--O 1.226 -0.16 0 N-CA-C 107.283 -1.377 . . . . 0.0 107.283 175.857 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 47.1 mt-10 25.32 58.61 0.05 Allowed 'General case' 0 CA--C 1.536 0.44 0 C-N-CA 127.604 2.362 . . . . 0.0 112.543 -175.328 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 39.1 mtpt . . . . . 0 C--O 1.234 0.283 0 C-N-CA 123.721 0.808 . . . . 0.0 110.988 -169.971 . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' B' B ' 1' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.529 2.192 1 O4'-C1'-N19 111.613 4.767 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 2' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.417 -2.633 0 O4'-C1'-N19 110.666 3.582 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' B' B ' 3' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.533 2.717 0 P-O3'-C3' 123.879 3.482 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' B' B ' 4' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.416 -2.711 0 O4'-C4'-C3' 108.523 2.923 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' B' B ' 5' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.409 -3.367 0 P-O3'-C3' 122.372 2.226 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' B' B ' 6' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.41 -3.256 0 P-O3'-C3' 121.818 1.765 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' B' B ' 7' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.416 -2.744 0 C4'-C3'-C2' 99.996 -3.204 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' B' B ' 8' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.407 -3.556 0 C3'-C2'-C1' 106.704 2.86 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' B' B ' 9' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.416 -2.751 0 P-O3'-C3' 123.517 3.181 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' B' B ' 10' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.417 -2.646 0 P-O3'-C3' 122.722 2.518 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' B' B ' 11' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.422 -2.19 2 O4'-C1'-N19 115.175 9.219 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 12' ' ' ' DG' . . . . . 0.834 " H5'" ' HB1' ' A' ' 72' ' ' ALA . . . . . . . . 0 O4'--C4' 1.413 -3.024 2 P-O3'-C3' 126.441 5.617 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 13' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.41 -3.23 1 O4'-C1'-N19 112.23 5.537 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 14' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.533 2.746 0 O4'-C1'-N19 110.39 3.238 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' B' B ' 15' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.411 -3.188 0 O4'-C1'-N19 110.044 2.805 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' C' C ' 1' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.415 -2.82 1 O4'-C1'-N19 112.262 5.578 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' C' C ' 2' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.533 2.772 0 O4'-C1'-N19 110.381 3.226 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' C' C ' 3' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.415 -2.807 2 O4'-C1'-N19 114.448 8.31 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' C' C ' 4' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.533 2.741 0 O4'-C4'-C3' 108.083 2.483 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' C' C ' 5' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.412 -3.059 1 O4'-C1'-N19 112.425 5.781 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' C' C ' 6' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.532 2.62 0 O4'-C1'-C2' 101.989 -3.737 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' C' C ' 7' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.411 -3.17 0 O4'-C1'-N19 110.165 2.956 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' C' C ' 8' ' ' ' DA' . . . . . 0.74 " C1'" ' HE2' ' A' ' 5' ' ' LYS . . . . . . . . 0 C5'--C4' 1.537 3.219 0 O4'-C1'-N19 109.957 2.696 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' C' C ' 9' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.411 -3.152 0 C5'-C4'-C3' 109.299 -3.601 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' C' C ' 10' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.412 -3.048 1 O4'-C1'-N19 111.521 4.652 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' C' C ' 11' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.415 -2.84 0 O4'-C1'-C2' 103.393 -2.461 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' C' C ' 12' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.533 2.769 0 O3'-P-O5' 98.81 -2.731 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' C' C ' 13' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.414 -2.874 1 O4'-C1'-N19 111.908 5.135 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' C' C ' 14' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.412 -3.125 0 O4'-C1'-C2' 102.976 -2.84 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' C' C ' 15' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.416 -2.728 0 O4'-C1'-N19 110.37 3.212 . . . . 0.0 . . . . . . . . . . 0 0 . 1 stop_ save_