data_1yut_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 1yut _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 full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 67.8 mtt . . . . . 0 N--CA 1.472 0.67 0 N-CA-C 104.414 -2.439 . . . . 10.0 104.414 . . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -62.03 172.71 1.29 Allowed 'General case' 0 C--O 1.239 0.501 0 C-N-CA 119.044 -1.062 . . . . 10.0 108.541 134.19 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . 71.58 55.6 0.2 Allowed 'General case' 0 C--N 1.33 -0.259 0 C-N-CA 125.382 1.473 . . . . 10.0 107.877 -161.394 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 1.9 pm0 -81.55 130.54 61.25 Favored Pre-proline 0 N--CA 1.446 -0.671 0 C-N-CA 126.054 1.742 . . . . 10.0 109.177 -177.203 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 5' ' ' PRO . . . . . . . . . . . . . 94.7 Cg_endo -69.69 150.96 69.32 Favored 'Trans proline' 0 N--CA 1.452 -0.97 0 C-N-CA 121.885 1.723 . . . . 10.0 108.915 176.159 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 58.4 mt -109.11 179.81 4.06 Favored 'General case' 0 N--CA 1.452 -0.338 0 C-N-CA 124.982 1.313 . . . . 10.0 107.639 -179.646 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 2.8 t -70.1 154.63 41.7 Favored 'General case' 0 CA--C 1.531 0.232 0 O-C-N 120.635 -1.291 . . . . 10.0 109.621 -179.925 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 43.9 tt0 -42.76 -48.3 5.61 Favored 'General case' 0 CA--C 1.537 0.443 0 C-N-CA 125.438 1.495 . . . . 10.0 112.071 -178.201 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 5.0 mt -69.24 -43.34 74.21 Favored 'General case' 0 N--CA 1.448 -0.538 0 CA-C-O 117.442 -1.266 . . . . 10.0 111.961 -179.453 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 48.5 mt-10 -49.43 -54.82 15.56 Favored 'General case' 0 C--N 1.343 0.313 0 CA-C-N 120.578 1.535 . . . . 10.0 111.416 167.889 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 69.7 mm-40 -48.64 -53.18 19.61 Favored 'General case' 0 CA--C 1.534 0.365 0 CA-C-O 121.888 0.851 . . . . 10.0 109.792 178.265 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 7.6 p -72.3 -37.81 68.89 Favored 'General case' 0 CA--C 1.534 0.355 0 CA-C-O 118.395 -0.812 . . . . 10.0 112.922 -172.777 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 13' ' ' ILE . . . . . . . . . . . . 0.253 2.5 pp -64.56 -41.3 91.88 Favored 'Isoleucine or valine' 0 C--N 1.341 0.23 0 CA-C-N 120.571 1.532 . . . . 10.0 109.589 172.652 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 1.9 tm-20 -58.34 -56.1 26.49 Favored 'General case' 0 N--CA 1.453 -0.296 0 CA-C-N 119.136 0.88 . . . . 10.0 110.001 178.665 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 1.5 t -53.59 -38.63 64.13 Favored 'General case' 0 CA--C 1.544 0.722 0 CA-C-N 118.899 0.772 . . . . 10.0 112.424 -172.878 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 17.3 m -75.95 -39.18 37.06 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.326 0 O-C-N 120.846 -1.159 . . . . 10.0 111.013 175.699 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 43.7 t -59.69 -47.85 89.67 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.297 0 CA-C-N 119.076 0.853 . . . . 10.0 110.867 177.33 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 11.5 t -59.76 -45.12 93.22 Favored 'General case' 0 CA--C 1.539 0.535 0 CA-C-N 119.749 1.159 . . . . 10.0 110.644 177.369 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 47.1 m -58.06 -52.9 63.62 Favored 'General case' 0 C--N 1.343 0.326 0 O-C-N 121.767 -0.583 . . . . 10.0 110.195 177.581 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 2.3 t80 -44.17 -55.83 4.52 Favored 'General case' 0 N--CA 1.457 -0.116 0 C-N-CA 123.948 0.899 . . . . 10.0 109.791 170.312 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 21' ' ' PHE . . . . . . . . . . . . . 33.0 t80 -60.92 -45.24 95.45 Favored 'General case' 0 N--CA 1.45 -0.437 0 C-N-CA 123.436 0.694 . . . . 10.0 111.818 -168.936 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 12.6 t -60.41 -28.29 68.14 Favored 'General case' 0 CA--C 1.538 0.517 0 C-N-CA 120.401 -0.519 . . . . 10.0 111.603 179.298 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 23' ' ' PHE . . . . . . . . . . . . . 92.9 m-85 -80.26 -40.92 26.01 Favored 'General case' 0 C--O 1.218 -0.562 0 O-C-N 121.47 -0.769 . . . . 10.0 111.155 167.274 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -54.0 -36.09 62.57 Favored 'General case' 0 C--O 1.235 0.339 0 O-C-N 120.009 -1.682 . . . . 10.0 111.117 -177.127 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -80.14 -17.47 52.42 Favored 'General case' 0 CA--C 1.534 0.353 0 CA-C-O 117.127 -1.416 . . . . 10.0 114.461 179.172 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -44.16 -57.22 3.54 Favored 'General case' 0 C--N 1.345 0.379 0 CA-C-N 120.385 1.448 . . . . 10.0 112.376 -173.802 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 32.6 mt-10 -116.27 172.14 7.38 Favored 'General case' 0 N--CA 1.447 -0.582 0 C-N-CA 127.308 2.243 . . . . 10.0 107.581 179.445 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -21.57 134.47 0.01 OUTLIER Glycine 0 CA--C 1.533 1.169 0 C-N-CA 127.76 2.6 . . . . 10.0 115.01 176.135 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 41.8 mtt85 62.03 103.25 0.03 OUTLIER 'General case' 0 C--O 1.239 0.53 0 C-N-CA 125.284 1.433 . . . . 10.0 112.031 179.858 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 60.1 pttt -74.9 61.14 1.01 Allowed 'General case' 0 CA--C 1.536 0.427 0 C-N-CA 124.901 1.28 . . . . 10.0 111.19 172.345 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 11.7 t70 -159.27 -50.9 0.06 Allowed 'General case' 0 N--CA 1.461 0.111 0 C-N-CA 126.143 1.777 . . . . 10.0 106.961 170.346 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -83.32 135.87 34.57 Favored 'General case' 0 N--CA 1.442 -0.864 0 CA-C-N 115.869 -0.605 . . . . 10.0 111.132 -179.085 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 2.9 mm? -87.74 120.51 29.13 Favored 'General case' 0 N--CA 1.456 -0.173 0 N-CA-C 106.846 -1.539 . . . . 10.0 106.846 163.108 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 5.7 t -82.52 179.52 7.76 Favored 'General case' 0 CA--C 1.531 0.212 0 CA-C-N 119.085 0.857 . . . . 10.0 109.573 165.572 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 58.5 t -50.79 -58.8 1.51 Allowed 'Isoleucine or valine' 0 CA--C 1.538 0.481 0 C-N-CA 123.873 0.869 . . . . 10.0 112.137 -167.779 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 36' ' ' ASN . . . . . . . . . . . . . 4.8 t30 -59.06 -56.09 26.75 Favored 'General case' 0 CA--C 1.531 0.234 0 N-CA-C 109.789 -0.449 . . . . 10.0 109.789 179.8 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 1.8 mt-10 -37.6 -50.82 1.17 Allowed 'General case' 0 CA--C 1.53 0.18 0 C-N-CA 125.939 1.696 . . . . 10.0 112.048 172.853 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 38' ' ' PHE . . . . . . . . . . . . . 33.5 t80 -64.34 -53.32 50.53 Favored 'General case' 0 N--CA 1.444 -0.739 0 C-N-CA 123.341 0.656 . . . . 10.0 109.436 -179.49 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 48.2 tttt -54.73 -37.65 66.16 Favored 'General case' 0 CA--C 1.533 0.321 0 N-CA-C 111.841 0.311 . . . . 10.0 111.841 179.837 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 80.1 mt-10 -52.7 -36.24 56.93 Favored 'General case' 0 CA--C 1.534 0.331 0 CA-C-O 118.672 -0.68 . . . . 10.0 112.541 177.584 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 2.2 tm? -61.62 -54.64 40.17 Favored 'General case' 0 C--N 1.34 0.195 0 N-CA-C 108.087 -1.079 . . . . 10.0 108.087 -177.648 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 2.1 m -66.34 -50.06 70.76 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.428 0 CA-C-N 115.111 -0.949 . . . . 10.0 108.888 -172.074 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 86.4 m -52.86 -50.84 62.97 Favored 'General case' 0 N--CA 1.449 -0.493 0 C-N-CA 125.039 1.336 . . . . 10.0 110.928 178.536 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 13.7 tt0 -74.76 -59.17 2.86 Favored 'General case' 0 N--CA 1.449 -0.502 0 N-CA-C 110.627 -0.138 . . . . 10.0 110.627 -174.983 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 45' ' ' GLN . . . . . . . . . . . . . 18.4 mt-30 -111.28 -1.78 15.94 Favored 'General case' 0 CA--C 1.531 0.232 0 N-CA-C 115.475 1.657 . . . . 10.0 115.475 -159.872 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 1.4 tp -127.77 53.29 10.2 Favored Pre-proline 0 CA--C 1.543 0.686 0 CA-C-N 121.258 1.844 . . . . 10.0 113.461 -168.648 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 47' ' ' PRO . . . . . . . . . . . . . 60.6 Cg_endo -69.44 -48.2 0.84 Allowed 'Trans proline' 0 N--CA 1.455 -0.774 0 C-N-CA 123.02 2.48 . . . . 10.0 113.143 -175.15 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 48' ' ' HIS . . . . . . . . . . . . . 6.4 t-160 -78.69 -47.93 15.98 Favored 'General case' 0 C--O 1.235 0.298 0 CA-C-N 118.495 0.588 . . . . 10.0 109.414 -172.157 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 4.9 tp -54.5 -67.34 0.27 Allowed 'General case' 0 C--O 1.235 0.331 0 N-CA-C 112.272 0.471 . . . . 10.0 112.272 -168.311 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 82.7 mt -111.32 77.95 1.08 Allowed 'General case' 0 N--CA 1.451 -0.385 0 N-CA-C 106.879 -1.526 . . . . 10.0 106.879 176.819 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -70.06 76.28 0.5 Allowed 'General case' 0 CA--C 1.54 0.586 0 CA-C-O 123.64 1.686 . . . . 10.0 110.655 178.008 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 15.5 t0 -175.91 78.98 0.02 OUTLIER 'General case' 0 C--N 1.317 -0.81 0 C-N-CA 129.504 3.122 . . . . 10.0 106.247 -178.166 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 34.4 m -86.81 18.36 0.51 Allowed 'Isoleucine or valine' 0 CA--C 1.537 0.458 0 CA-C-N 113.137 -1.847 . . . . 10.0 109.681 161.427 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . -91.97 -79.21 1.4 Allowed Glycine 0 C--N 1.339 0.731 0 N-CA-C 107.319 -2.312 . . . . 10.0 107.319 175.641 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 22.9 t -81.21 58.89 3.7 Favored 'General case' 0 C--O 1.232 0.162 0 CA-C-O 122.974 1.369 . . . . 10.0 109.623 -173.893 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 2.5 tm? -65.96 -29.83 70.3 Favored 'General case' 0 N--CA 1.439 -1.006 0 C-N-CA 124.088 0.955 . . . . 10.0 108.885 170.788 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 4.3 p-10 -51.67 -48.12 63.55 Favored 'General case' 0 CA--C 1.537 0.45 0 C-N-CA 124.094 0.958 . . . . 10.0 111.143 172.947 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 38.0 tt0 -55.96 -52.79 62.91 Favored 'General case' 0 C--O 1.233 0.191 0 C-N-CA 123.334 0.653 . . . . 10.0 109.8 177.939 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -54.85 -52.07 63.92 Favored 'General case' 0 CA--C 1.531 0.245 0 N-CA-C 108.685 -0.857 . . . . 10.0 108.685 177.76 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 60' ' ' MET . . . . . . . . . . . . . 1.9 tmt? -50.52 -55.08 17.67 Favored 'General case' 0 C--O 1.224 -0.253 0 C-N-CA 124.024 0.93 . . . . 10.0 110.103 -178.358 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 44.2 mtmt -58.86 -42.82 90.31 Favored 'General case' 0 CA--C 1.535 0.392 0 CA-C-N 118.198 0.454 . . . . 10.0 111.28 177.812 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 23.0 m -63.2 -30.25 71.43 Favored 'General case' 0 CA--C 1.535 0.381 0 O-C-N 121.912 -0.492 . . . . 10.0 112.245 178.508 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 27.0 mt -86.66 -63.95 1.23 Allowed 'General case' 0 CA--C 1.53 0.181 0 C-N-CA 125.644 1.577 . . . . 10.0 111.091 -177.619 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 46.0 t0 -75.05 74.26 2.23 Favored 'General case' 0 N--CA 1.45 -0.433 0 C-N-CA 125.181 1.393 . . . . 10.0 109.917 -173.726 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 65' ' ' VAL . . . . . . . . . . . . . 35.6 m -49.58 -37.98 12.35 Favored 'Isoleucine or valine' 0 CA--C 1.537 0.459 0 C-N-CA 123.944 0.898 . . . . 10.0 113.013 -176.401 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 66' ' ' ASN . . . . . . . . . . . . . 1.3 p30 -84.41 -9.87 58.04 Favored 'General case' 0 N--CA 1.466 0.357 0 C-N-CA 124.381 1.072 . . . . 10.0 112.68 -179.442 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 67' ' ' GLN . . . . . . . . . . . . . 7.0 tt0 48.7 52.22 14.33 Favored 'General case' 0 CA--C 1.535 0.37 0 C-N-CA 125.222 1.409 . . . . 10.0 111.296 178.828 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 57.6 p-10 -89.13 -10.34 47.61 Favored 'General case' 0 CA--C 1.535 0.368 0 C-N-CA 124.133 0.973 . . . . 10.0 110.049 174.243 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 16.9 m 67.0 27.4 8.79 Favored 'General case' 0 C--N 1.341 0.227 0 C-N-CA 124.355 1.062 . . . . 10.0 111.708 -174.773 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 26.0 mt-10 -131.85 117.76 18.95 Favored 'General case' 0 N--CA 1.445 -0.689 0 C-N-CA 126.08 1.752 . . . . 10.0 106.96 165.177 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 2.2 mm? -84.31 92.76 8.07 Favored 'General case' 0 N--CA 1.447 -0.591 0 N-CA-C 105.936 -1.876 . . . . 10.0 105.936 163.897 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -52.51 161.97 0.62 Allowed 'General case' 0 N--CA 1.468 0.443 0 N-CA-C 108.95 -0.759 . . . . 10.0 108.95 169.279 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 73' ' ' PHE . . . . . . . . . . . . . 5.5 t80 -38.15 -58.44 0.97 Allowed 'General case' 0 CA--C 1.536 0.428 0 C-N-CA 124.432 1.093 . . . . 10.0 111.97 179.326 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 74' ' ' ASN . . . . . . . . . . . . . 4.6 t30 -68.1 -31.52 71.19 Favored 'General case' 0 CA--C 1.537 0.451 0 N-CA-C 112.607 0.595 . . . . 10.0 112.607 -176.673 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 49.5 mt-10 -70.42 -54.08 13.85 Favored 'General case' 0 N--CA 1.456 -0.144 0 N-CA-C 108.882 -0.785 . . . . 10.0 108.882 177.866 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 76' ' ' TYR . . . . . . . . . . . . . 23.2 t80 -48.48 -51.35 27.56 Favored 'General case' 0 CA--C 1.52 -0.208 0 C-N-CA 124.258 1.023 . . . . 10.0 109.713 174.315 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 77' ' ' TRP . . . . . 0.644 ' CZ2' ' CZ2' ' B' ' 77' ' ' TRP . 4.9 t-105 -43.1 -37.81 2.14 Favored 'General case' 0 N--CA 1.448 -0.56 0 C-N-CA 124.271 1.028 . . . . 10.0 111.387 -179.776 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 5.4 mtp-105 -39.95 -49.78 2.48 Favored 'General case' 0 N--CA 1.47 0.532 0 CA-C-N 119.848 1.203 . . . . 10.0 112.369 174.381 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 30.2 tp -46.8 -45.06 19.76 Favored 'General case' 0 N--CA 1.451 -0.391 0 C-N-CA 123.425 0.69 . . . . 10.0 110.624 179.615 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 80' ' ' ILE . . . . . . . . . . . . . 69.7 mt -60.47 -25.59 34.85 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.278 0 C-N-CA 123.142 0.577 . . . . 10.0 109.711 -174.337 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 81' ' ' GLY . . . . . 0.542 ' CA ' ' CE2' ' B' ' 77' ' ' TRP . . . -74.24 -43.45 32.05 Favored Glycine 0 CA--C 1.494 -1.236 0 N-CA-C 109.789 -1.325 . . . . 10.0 109.789 178.496 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 2.5 mm-40 -69.0 -34.69 75.69 Favored 'General case' 0 N--CA 1.434 -1.253 0 N-CA-C 106.537 -1.653 . . . . 10.0 106.537 -177.423 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 83' ' ' LEU . . . . . . . . . . . . . 5.5 mt -62.92 -60.38 3.55 Favored 'General case' 0 CA--C 1.538 0.497 0 C-N-CA 124.029 0.931 . . . . 10.0 111.015 171.579 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -58.75 -26.56 64.09 Favored 'General case' 0 CA--C 1.53 0.209 0 C-N-CA 125.142 1.377 . . . . 10.0 111.563 -177.946 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 85' ' ' LYS . . . . . . . . . . . . . 35.9 ttmt -75.1 -62.18 1.64 Allowed 'General case' 0 N--CA 1.443 -0.816 0 N-CA-C 108.148 -1.056 . . . . 10.0 108.148 171.149 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 21.3 mm-40 -44.28 -48.93 9.54 Favored 'General case' 0 N--CA 1.465 0.315 0 C-N-CA 125.705 1.602 . . . . 10.0 112.596 -178.126 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 87' ' ' ILE . . . . . . . . . . . . . 6.3 tt -51.62 -33.32 14.87 Favored 'Isoleucine or valine' 0 CA--C 1.543 0.684 0 N-CA-C 113.648 0.981 . . . . 10.0 113.648 -178.979 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 88' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -89.45 -53.43 4.54 Favored 'General case' 0 CA--C 1.528 0.133 0 C-N-CA 124.042 0.937 . . . . 10.0 109.354 172.907 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 29.4 tttm -64.43 -25.1 67.86 Favored 'General case' 0 N--CA 1.447 -0.624 0 C-N-CA 127.171 2.188 . . . . 10.0 112.532 -166.83 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 39.4 tttp -34.17 -66.9 0.15 Allowed 'General case' 0 CA--C 1.535 0.377 0 CA-C-N 120.251 1.387 . . . . 10.0 113.042 -117.486 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 91' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -132.5 46.91 2.57 Favored 'General case' 0 CA--C 1.548 0.874 0 CA-C-N 120.276 1.398 . . . . 10.0 109.193 178.079 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 92' ' ' ASP . . . . . . . . . . . . . 86.1 m-20 -58.9 73.33 0.01 OUTLIER 'General case' 0 N--CA 1.469 0.513 0 C-N-CA 129.76 3.224 . . . . 10.0 109.682 177.426 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 93' ' ' LEU . . . . . . . . . . . . . 23.1 tp -175.94 -51.73 0.01 OUTLIER 'General case' 0 N--CA 1.441 -0.925 0 C-N-CA 127.216 2.206 . . . . 10.0 105.793 -168.82 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 74.1 mmtt -118.56 -43.26 2.7 Favored 'General case' 0 CA--C 1.533 0.322 0 C-N-CA 124.127 0.971 . . . . 10.0 111.683 172.9 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 95' ' ' ILE . . . . . . . . . . . . . 21.4 mt -139.54 111.0 4.85 Favored 'Isoleucine or valine' 0 CA--C 1.537 0.458 0 C-N-CA 123.853 0.861 . . . . 10.0 109.669 -168.425 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 96' ' ' ARG . . . . . . . . . . . . . 5.0 ttm-85 -178.59 -46.5 0.01 OUTLIER 'General case' 0 CA--C 1.541 0.607 1 C-N-CA 133.052 4.541 . . . . 10.0 110.975 -9.327 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 97' ' ' LYS . . . . . 0.421 ' CB ' ' HA ' ' A' ' 98' ' ' LYS 2.247 8.5 mttp 153.92 129.92 0.0 OUTLIER 'General case' 0 CA--C 1.552 1.033 1 C-N-CA 133.418 4.687 . . . . 10.0 106.21 5.096 . . . . . . . . 4 3 . 1 . 001 nuclear orig full ' A' A ' 98' ' ' LYS . . . . . 0.421 ' HA ' ' CB ' ' A' ' 97' ' ' LYS 2.406 7.1 ptpt . . . . . 0 C--O 1.251 1.133 2 CA-C-N 127.338 4.608 . . . . 10.0 108.523 11.182 . . . . . . . . 3 2 . 1 . 001 nuclear orig full ' B' B ' 1' ' ' MET . . . . . . . . . . . . . 78.7 mmm . . . . . 0 N--CA 1.466 0.337 0 CA-C-O 118.805 -0.617 . . . . 10.0 109.551 . . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' B' B ' 2' ' ' ALA . . . . . . . . . . . . . . . -171.92 119.48 0.43 Allowed 'General case' 0 CA--C 1.534 0.361 0 CA-C-O 118.835 -0.602 . . . . 10.0 112.348 176.615 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 3' ' ' ALA . . . . . . . . . . . . . . . 28.07 100.19 0.0 OUTLIER 'General case' 0 CA--C 1.546 0.794 0 N-CA-C 120.114 3.376 . . . . 10.0 120.114 143.103 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 4' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -83.27 -173.51 0.44 Allowed Pre-proline 0 CA--C 1.555 1.169 0 N-CA-C 107.797 -1.186 . . . . 10.0 107.797 142.349 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 5' ' ' PRO . . . . . . . . . . . . . 49.2 Cg_endo -70.06 166.14 28.94 Favored 'Trans proline' 0 C--N 1.35 0.653 0 CA-C-N 122.162 1.808 . . . . 10.0 115.059 -156.497 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 6' ' ' LEU . . . . . . . . . . . . . 46.1 mt -139.33 141.67 37.67 Favored 'General case' 0 CA--C 1.535 0.368 0 C-N-CA 124.908 1.283 . . . . 10.0 109.948 -154.183 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 7' ' ' THR . . . . . . . . . . . . . 6.8 t -81.55 -175.89 5.76 Favored 'General case' 0 CA--C 1.537 0.475 0 C-N-CA 124.143 0.977 . . . . 10.0 110.563 163.905 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 8' ' ' GLU . . . . . . . . . . . . . 44.0 tt0 -49.92 -63.03 1.24 Allowed 'General case' 0 CA--C 1.538 0.51 0 C-N-CA 125.574 1.55 . . . . 10.0 113.233 -173.782 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 9' ' ' LEU . . . . . . . . . . . . . 22.1 mt -61.58 -39.91 92.86 Favored 'General case' 0 N--CA 1.456 -0.16 0 O-C-N 121.599 -0.688 . . . . 10.0 110.117 -178.667 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 10' ' ' GLU . . . . . . . . . . . . . 95.6 mt-10 -57.69 -42.53 83.88 Favored 'General case' 0 CA--C 1.549 0.93 0 C-N-CA 123.879 0.872 . . . . 10.0 110.668 176.569 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 11' ' ' GLU . . . . . . . . . . . . . 4.2 mt-10 -59.95 -51.44 69.69 Favored 'General case' 0 C--N 1.341 0.221 0 O-C-N 120.914 -1.116 . . . . 10.0 110.038 173.956 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 12' ' ' SER . . . . . . . . . . . . . 3.0 p -71.9 -23.09 61.42 Favored 'General case' 0 CA--C 1.535 0.377 0 N-CA-C 112.798 0.666 . . . . 10.0 112.798 -171.218 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 13' ' ' ILE . . . . . . . . . . . . 0.251 2.8 pp -76.37 -33.73 23.91 Favored 'Isoleucine or valine' 0 CA--C 1.536 0.429 0 CA-C-N 119.45 1.023 . . . . 10.0 110.541 164.798 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 14' ' ' GLU . . . . . . . . . . . . . 2.3 tm-20 -59.91 -54.22 48.68 Favored 'General case' 0 CA--C 1.531 0.248 0 CA-C-N 119.503 1.047 . . . . 10.0 110.604 174.018 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 15' ' ' THR . . . . . . . . . . . . . 4.8 t -50.5 -38.79 46.19 Favored 'General case' 0 CA--C 1.542 0.666 0 CA-C-O 121.285 0.564 . . . . 10.0 112.051 -169.003 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 16' ' ' VAL . . . . . . . . . . . . . 34.9 m -73.98 -36.91 46.27 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.388 0 O-C-N 121.209 -0.932 . . . . 10.0 111.63 176.851 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 17' ' ' VAL . . . . . . . . . . . . . 75.6 t -61.18 -49.63 83.83 Favored 'Isoleucine or valine' 0 CA--C 1.53 0.177 0 CA-C-N 118.531 0.605 . . . . 10.0 109.957 174.343 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 18' ' ' THR . . . . . . . . . . . . . 9.0 t -59.9 -41.7 92.22 Favored 'General case' 0 CA--C 1.539 0.551 0 O-C-N 121.061 -1.025 . . . . 10.0 110.922 176.886 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 19' ' ' THR . . . . . . . . . . . . . 28.0 m -56.8 -52.56 64.57 Favored 'General case' 0 CA--C 1.538 0.486 0 CA-C-N 119.445 1.02 . . . . 10.0 110.406 175.211 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 20' ' ' PHE . . . . . . . . . . . . . 1.0 OUTLIER -44.56 -58.29 3.1 Favored 'General case' 0 CA--C 1.529 0.16 0 C-N-CA 124.291 1.036 . . . . 10.0 110.118 171.806 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 21' ' ' PHE . . . . . . . . . . . . . 9.4 t80 -63.02 -50.88 68.96 Favored 'General case' 0 CA--C 1.531 0.245 0 C-N-CA 124.188 0.995 . . . . 10.0 110.938 -170.071 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 22' ' ' THR . . . . . . . . . . . . . 27.0 p -56.74 -40.61 76.06 Favored 'General case' 0 CA--C 1.529 0.16 0 C-N-CA 123.462 0.705 . . . . 10.0 111.184 -178.338 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 23' ' ' PHE . . . . . . . . . . . . . 18.2 m-85 -69.56 -53.71 17.61 Favored 'General case' 0 C--O 1.222 -0.372 0 CA-C-N 118.513 0.597 . . . . 10.0 110.581 171.533 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 24' ' ' ALA . . . . . . . . . . . . . . . -60.0 -20.31 57.06 Favored 'General case' 0 N--CA 1.45 -0.449 0 C-N-CA 127.048 2.139 . . . . 10.0 112.708 -168.34 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 25' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -55.93 -28.56 57.46 Favored 'General case' 0 N--CA 1.453 -0.319 0 CA-C-O 118.257 -0.878 . . . . 10.0 111.957 171.413 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 26' ' ' GLN . . . . . . . . . . . . . 0.7 OUTLIER -51.87 -64.68 0.74 Allowed 'General case' 0 CA--C 1.534 0.35 0 N-CA-C 115.22 1.563 . . . . 10.0 115.22 -154.845 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 27' ' ' GLU . . . . . . . . . . . . . 42.8 mt-10 -88.46 -78.33 0.34 Allowed 'General case' 0 CA--C 1.533 0.305 0 C-N-CA 118.907 -1.117 . . . . 10.0 112.758 -163.712 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 28' ' ' GLY . . . . . . . . . . . . . . . -93.82 160.38 24.22 Favored Glycine 0 N--CA 1.446 -0.654 0 C-N-CA 127.965 2.698 . . . . 10.0 110.088 151.03 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 29' ' ' ARG . . . . . . . . . . . . . 11.9 ttt180 51.98 101.53 0.01 OUTLIER 'General case' 0 C--O 1.239 0.501 0 N-CA-C 114.817 1.414 . . . . 10.0 114.817 137.15 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 30' ' ' LYS . . . . . . . . . . . . . 50.6 pttt -59.39 -42.95 92.87 Favored 'General case' 0 N--CA 1.451 -0.414 0 CA-C-N 115.43 -0.805 . . . . 10.0 112.329 176.024 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 31' ' ' ASP . . . . . . . . . . . . . 1.8 m-20 -63.69 -12.4 33.93 Favored 'General case' 0 CA--C 1.541 0.618 0 N-CA-C 113.523 0.934 . . . . 10.0 113.523 -173.983 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 32' ' ' SER . . . . . . . . . . . . . 52.2 p -130.45 138.5 50.33 Favored 'General case' 0 C--O 1.241 0.617 0 CA-C-N 119.509 1.05 . . . . 10.0 111.364 177.576 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 33' ' ' LEU . . . . . . . . . . . . . 2.5 mm? -72.14 135.33 46.15 Favored 'General case' 0 N--CA 1.453 -0.287 0 N-CA-C 108.599 -0.889 . . . . 10.0 108.599 169.021 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 34' ' ' SER . . . . . . . . . . . . . 3.5 m -118.67 162.01 19.14 Favored 'General case' 0 CA--C 1.549 0.91 0 C-N-CA 127.208 2.203 . . . . 10.0 107.201 -179.94 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 35' ' ' VAL . . . . . . . . . . . . . 9.9 p -99.38 49.48 0.12 Allowed 'Isoleucine or valine' 0 N--CA 1.469 0.484 0 O-C-N 120.164 -1.585 . . . . 10.0 112.482 -167.713 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 36' ' ' ASN . . . . . . . . . . . . . 1.8 t30 -156.05 55.12 0.58 Allowed 'General case' 0 N--CA 1.445 -0.704 0 C-N-CA 127.642 2.377 . . . . 10.0 104.804 144.103 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 37' ' ' GLU . . . . . . . . . . . . . 73.9 mt-10 -141.74 -53.54 0.44 Allowed 'General case' 0 N--CA 1.451 -0.421 0 C-N-CA 130.76 3.624 . . . . 10.0 103.585 165.863 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 38' ' ' PHE . . . . . . . . . . . . . 0.4 OUTLIER -58.39 -58.7 7.36 Favored 'General case' 0 N--CA 1.448 -0.567 0 CA-C-N 115.53 -0.759 . . . . 10.0 110.138 179.542 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 39' ' ' LYS . . . . . . . . . . . . . 30.3 tttt -60.82 -36.63 79.58 Favored 'General case' 0 CA--C 1.533 0.318 0 C-N-CA 119.909 -0.716 . . . . 10.0 110.276 -176.325 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 40' ' ' GLU . . . . . . . . . . . . . 72.7 mt-10 -57.66 -40.17 78.73 Favored 'General case' 0 CA--C 1.533 0.321 0 N-CA-C 112.161 0.43 . . . . 10.0 112.161 170.216 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 41' ' ' LEU . . . . . . . . . . . . . 16.5 tp -69.47 -42.36 74.98 Favored 'General case' 0 N--CA 1.456 -0.163 0 N-CA-C 108.621 -0.881 . . . . 10.0 108.621 -175.35 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 42' ' ' VAL . . . . . . . . . . . . . 3.7 m -72.41 -43.6 63.75 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.302 0 C-N-CA 119.959 -0.697 . . . . 10.0 110.547 -178.908 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 43' ' ' THR . . . . . . . . . . . . . 74.8 m -57.26 -53.62 56.06 Favored 'General case' 0 N--CA 1.452 -0.336 0 C-N-CA 123.367 0.667 . . . . 10.0 110.721 175.406 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 44' ' ' GLN . . . . . . . . . . . . . 9.0 tt0 -81.33 -61.07 2.05 Favored 'General case' 0 CA--C 1.532 0.271 0 C-N-CA 123.659 0.784 . . . . 10.0 111.16 -172.152 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 45' ' ' GLN . . . . . . . . . . . . . 1.0 OUTLIER -83.49 -49.82 8.9 Favored 'General case' 0 CA--C 1.535 0.367 0 C-N-CA 124.167 0.987 . . . . 10.0 113.034 -166.09 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 46' ' ' LEU . . . . . . . . . . . . . 2.8 mm? -81.64 -15.62 0.23 Allowed Pre-proline 0 CA--C 1.543 0.692 0 N-CA-C 118.651 2.834 . . . . 10.0 118.651 -174.843 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 47' ' ' PRO . . . . . . . . . . . . . 35.7 Cg_endo -51.1 -44.56 41.77 Favored 'Trans proline' 0 C--N 1.347 0.451 0 C-N-CA 123.429 2.753 . . . . 10.0 114.924 -144.32 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 48' ' ' HIS . . . . . . . . . . . . . 49.1 t-80 -60.11 -41.96 93.71 Favored 'General case' 0 CA--C 1.534 0.349 0 O-C-N 122.169 -0.332 . . . . 10.0 111.474 178.285 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 49' ' ' LEU . . . . . . . . . . . . . 29.1 tp -79.09 -61.63 1.95 Allowed 'General case' 0 N--CA 1.45 -0.443 0 N-CA-C 108.752 -0.833 . . . . 10.0 108.752 -173.755 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 50' ' ' LEU . . . . . . . . . . . . . 41.7 mt -82.34 76.02 9.23 Favored 'General case' 0 N--CA 1.456 -0.133 0 CA-C-O 121.978 0.894 . . . . 10.0 108.747 169.973 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 51' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -67.1 60.33 0.05 OUTLIER 'General case' 0 CA--C 1.53 0.183 0 C-N-CA 128.065 2.546 . . . . 10.0 112.448 166.465 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 52' ' ' ASP . . . . . . . . . . . . . 31.8 t0 -177.77 55.49 0.01 OUTLIER 'General case' 0 C--N 1.317 -0.824 0 C-N-CA 129.932 3.293 . . . . 10.0 106.882 169.124 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 53' ' ' VAL . . . . . . . . . . . . . 18.5 m -58.87 -34.09 51.44 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.368 0 CA-C-N 114.054 -1.43 . . . . 10.0 110.021 164.943 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 54' ' ' GLY . . . . . . . . . . . . . . . -55.83 -65.6 3.44 Favored Glycine 0 C--N 1.338 0.689 0 C-N-CA 124.325 0.964 . . . . 10.0 111.571 -176.168 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 55' ' ' SER . . . . . . . . . . . . . 22.7 t -89.88 39.23 0.95 Allowed 'General case' 0 C--O 1.234 0.264 0 CA-C-N 117.384 0.592 . . . . 10.0 111.011 -174.02 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 56' ' ' LEU . . . . . . . . . . . . . 1.8 tm? -42.45 -48.13 5.15 Favored 'General case' 0 N--CA 1.449 -0.475 0 C-N-CA 125.263 1.425 . . . . 10.0 109.419 169.72 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 57' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -43.38 -41.33 4.1 Favored 'General case' 0 CA--C 1.541 0.597 0 C-N-CA 127.172 2.189 . . . . 10.0 112.465 -176.962 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 58' ' ' GLU . . . . . . . . . . . . . 37.2 tt0 -63.65 -49.67 72.32 Favored 'General case' 0 CA--C 1.534 0.336 0 O-C-N 121.763 -0.586 . . . . 10.0 110.421 175.207 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 59' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -59.2 -47.14 86.43 Favored 'General case' 0 N--CA 1.453 -0.322 0 N-CA-C 107.84 -1.17 . . . . 10.0 107.84 178.962 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 60' ' ' MET . . . . . . . . . . . . . 2.0 tmt? -51.63 -54.55 26.7 Favored 'General case' 0 N--CA 1.455 -0.179 0 C-N-CA 124.174 0.99 . . . . 10.0 110.21 176.586 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 61' ' ' LYS . . . . . . . . . . . . . 22.5 ttmm -57.3 -43.46 83.25 Favored 'General case' 0 CA--C 1.535 0.381 0 CA-C-N 117.76 0.255 . . . . 10.0 110.878 179.233 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 62' ' ' SER . . . . . . . . . . . . . 18.5 m -63.39 -38.2 90.22 Favored 'General case' 0 CA--C 1.536 0.415 0 C-N-CA 123.055 0.542 . . . . 10.0 111.846 178.262 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 63' ' ' LEU . . . . . . . . . . . . . 34.2 mt -70.5 -57.53 4.68 Favored 'General case' 0 N--CA 1.454 -0.238 0 C-N-CA 125.202 1.401 . . . . 10.0 109.953 -178.548 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 64' ' ' ASP . . . . . . . . . . . . . 7.4 t70 -58.13 -13.04 4.08 Favored 'General case' 0 CA--C 1.53 0.181 0 N-CA-C 116.593 2.072 . . . . 10.0 116.593 -160.93 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 65' ' ' VAL . . . . . . . . . . . . . 19.8 m -35.71 -21.51 0.01 OUTLIER 'Isoleucine or valine' 0 N--CA 1.468 0.445 0 C-N-CA 130.371 3.468 . . . . 10.0 119.194 -129.904 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 66' ' ' ASN . . . . . . . . . . . . . 8.6 p-10 -58.38 -25.03 61.59 Favored 'General case' 0 CA--C 1.536 0.43 0 CA-C-N 120.543 1.52 . . . . 10.0 110.369 163.677 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 67' ' ' GLN . . . . . . . . . . . . . 6.6 tt0 67.66 19.7 9.72 Favored 'General case' 0 CA--C 1.534 0.363 0 C-N-CA 125.768 1.627 . . . . 10.0 111.595 173.115 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 68' ' ' ASP . . . . . . . . . . . . . 53.6 p30 -61.31 -18.2 57.39 Favored 'General case' 0 CA--C 1.533 0.314 0 O-C-N 122.077 -0.389 . . . . 10.0 110.824 167.471 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 69' ' ' SER . . . . . . . . . . . . . 14.9 m 69.22 10.45 7.83 Favored 'General case' 0 N--CA 1.452 -0.327 0 C-N-CA 125.137 1.375 . . . . 10.0 112.668 -179.468 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 70' ' ' GLU . . . . . . . . . . . . . 21.6 mt-10 -88.91 111.78 22.5 Favored 'General case' 0 N--CA 1.448 -0.57 0 N-CA-C 105.09 -2.189 . . . . 10.0 105.09 153.548 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 71' ' ' LEU . . . . . . . . . . . . . 3.3 mm? -72.38 101.77 2.99 Favored 'General case' 0 N--CA 1.449 -0.496 0 N-CA-C 105.394 -2.076 . . . . 10.0 105.394 172.464 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 72' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -81.82 172.3 13.51 Favored 'General case' 0 C--O 1.236 0.374 0 C-N-CA 123.838 0.855 . . . . 10.0 110.006 -157.706 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 73' ' ' PHE . . . . . . . . . . . . . 0.4 OUTLIER -80.49 73.84 7.39 Favored 'General case' 0 CA--C 1.533 0.304 0 N-CA-C 107.118 -1.438 . . . . 10.0 107.118 -174.275 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 74' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER 98.95 49.42 0.0 OUTLIER 'General case' 0 CA--C 1.535 0.403 1 C-N-CA 133.581 4.752 . . . . 10.0 108.242 -171.473 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' B' B ' 75' ' ' GLU . . . . . . . . . . . . . 67.3 mt-10 -90.14 -60.5 1.91 Allowed 'General case' 0 CA--C 1.533 0.291 0 O-C-N 120.273 -1.517 . . . . 10.0 108.353 112.616 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 76' ' ' TYR . . . . . . . . . . . . . 13.2 t80 -39.57 -52.38 2.18 Favored 'General case' 0 C--N 1.346 0.424 0 C-N-CA 126.703 2.001 . . . . 10.0 111.872 -170.928 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 77' ' ' TRP . . . . . 0.644 ' CZ2' ' CZ2' ' A' ' 77' ' ' TRP . 53.8 t90 -43.22 -39.73 3.08 Favored 'General case' 0 N--CA 1.446 -0.672 0 C-N-CA 124.852 1.261 . . . . 10.0 112.457 -172.106 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 78' ' ' ARG . . . . . . . . . . . . . 96.5 mtt180 -38.97 -44.56 1.09 Allowed 'General case' 0 CA--C 1.534 0.333 0 C-N-CA 124.248 1.019 . . . . 10.0 111.91 174.941 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 79' ' ' LEU . . . . . . . . . . . . . 9.9 tp -49.12 -50.33 37.84 Favored 'General case' 0 N--CA 1.452 -0.352 0 C-N-CA 123.898 0.879 . . . . 10.0 111.534 -179.236 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 80' ' ' ILE . . . . . . . . . . . . . 94.6 mt -58.34 -30.08 39.46 Favored 'Isoleucine or valine' 0 CA--C 1.54 0.585 0 N-CA-C 108.303 -0.999 . . . . 10.0 108.303 -179.378 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 81' ' ' GLY . . . . . 0.547 ' CA ' ' CZ2' ' A' ' 77' ' ' TRP . . . -67.35 -44.44 84.98 Favored Glycine 0 CA--C 1.499 -0.961 0 C-N-CA 126.962 2.22 . . . . 10.0 112.617 176.837 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 82' ' ' GLU . . . . . . . . . . . . . 3.2 mm-40 -69.01 -48.1 63.84 Favored 'General case' 0 N--CA 1.431 -1.378 0 N-CA-C 106.753 -1.573 . . . . 10.0 106.753 -177.76 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 83' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -55.77 -45.62 78.1 Favored 'General case' 0 CA--C 1.539 0.52 0 CA-C-N 120.055 1.298 . . . . 10.0 112.223 169.879 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 84' ' ' ALA . . . . . . . . . . . . . . . -54.16 -50.29 67.33 Favored 'General case' 0 N--CA 1.456 -0.165 0 O-C-N 121.99 -0.444 . . . . 10.0 111.343 -179.192 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 85' ' ' LYS . . . . . . . . . . . . . 1.3 ptpt -70.32 -40.6 74.09 Favored 'General case' 0 C--O 1.22 -0.459 0 CA-C-O 117.272 -1.347 . . . . 10.0 110.685 175.852 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 86' ' ' GLU . . . . . . . . . . . . . 4.1 mm-40 -44.23 -45.77 8.66 Favored 'General case' 0 N--CA 1.471 0.617 0 C-N-CA 125.806 1.642 . . . . 10.0 111.69 -174.895 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 87' ' ' ILE . . . . . . . . . . . . . 5.1 tt -51.07 -39.82 20.37 Favored 'Isoleucine or valine' 0 CA--C 1.543 0.688 0 CA-C-O 120.818 0.342 . . . . 10.0 111.509 179.215 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 88' ' ' ARG . . . . . . . . . . . . . 22.5 ttt85 -82.61 -38.18 23.94 Favored 'General case' 0 CA--C 1.539 0.52 0 C-N-CA 126.076 1.751 . . . . 10.0 111.739 171.803 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 89' ' ' LYS . . . . . . . . . . . . . 68.9 tttt -116.97 79.09 1.28 Allowed 'General case' 0 N--CA 1.45 -0.458 0 C-N-CA 125.361 1.464 . . . . 10.0 111.48 -161.184 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 90' ' ' LYS . . . . . . . . . . . . . 5.8 ttpt -37.49 -54.77 1.12 Allowed 'General case' 0 CA--C 1.542 0.646 0 C-N-CA 127.434 2.293 . . . . 10.0 113.089 -179.756 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 91' ' ' LYS . . . . . . . . . . . . . 60.8 tttm -154.23 -2.57 0.18 Allowed 'General case' 0 N--CA 1.472 0.647 0 CA-C-N 119.288 0.949 . . . . 10.0 113.329 179.205 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 92' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -92.94 48.95 1.38 Allowed 'General case' 0 C--N 1.329 -0.284 0 O-C-N 120.874 -1.141 . . . . 10.0 110.711 -145.527 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 93' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -93.31 -53.73 3.98 Favored 'General case' 0 N--CA 1.461 0.119 0 C-N-CA 123.294 0.638 . . . . 10.0 112.084 -178.192 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 94' ' ' LYS . . . . . . . . . . . . 2.454 1.4 mtpm? 46.96 -104.6 0.1 Allowed 'General case' 0 CA--C 1.54 0.562 0 C-N-CA 124.066 0.946 . . . . 10.0 111.889 -165.195 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 95' ' ' ILE . . . . . . . . . . . . 0.266 13.4 pt 54.59 151.19 0.0 OUTLIER 'Isoleucine or valine' 0 CA--C 1.54 0.573 0 C-N-CA 126.695 1.998 . . . . 10.0 114.662 -166.042 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 96' ' ' ARG . . . . . . . . . . . . . 2.3 tmm_? -167.16 127.15 1.47 Allowed 'General case' 0 N--CA 1.456 -0.16 0 C-N-CA 127.064 2.146 . . . . 10.0 105.36 176.432 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 97' ' ' LYS . . . . . . . . . . . . . 6.8 tmtt? -175.32 125.57 0.25 Allowed 'General case' 0 CA--C 1.533 0.312 0 N-CA-C 106.224 -1.769 . . . . 10.0 106.224 -162.529 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 98' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--O 1.249 1.062 0 N-CA-C 106.429 -1.693 . . . . 10.0 106.429 166.33 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 197' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 198' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' B' B ' 199' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' B' B ' 200' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 67.8 mtt . . . . . 0 N--CA 1.472 0.67 0 N-CA-C 104.414 -2.439 . . . . 10.0 104.414 . . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -62.03 172.71 1.29 Allowed 'General case' 0 C--O 1.239 0.501 0 C-N-CA 119.044 -1.062 . . . . 10.0 108.541 134.19 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . 71.58 55.6 0.2 Allowed 'General case' 0 C--N 1.33 -0.259 0 C-N-CA 125.382 1.473 . . . . 10.0 107.877 -161.394 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 1.9 pm0 -81.55 130.54 61.25 Favored Pre-proline 0 N--CA 1.446 -0.671 0 C-N-CA 126.054 1.742 . . . . 10.0 109.177 -177.203 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 5' ' ' PRO . . . . . . . . . . . . . 94.7 Cg_endo -69.69 150.96 69.32 Favored 'Trans proline' 0 N--CA 1.452 -0.97 0 C-N-CA 121.885 1.723 . . . . 10.0 108.915 176.159 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 58.4 mt -109.11 179.81 4.06 Favored 'General case' 0 N--CA 1.452 -0.338 0 C-N-CA 124.982 1.313 . . . . 10.0 107.639 -179.646 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 2.8 t -70.1 154.63 41.7 Favored 'General case' 0 CA--C 1.531 0.232 0 O-C-N 120.635 -1.291 . . . . 10.0 109.621 -179.925 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 43.9 tt0 -42.76 -48.3 5.61 Favored 'General case' 0 CA--C 1.537 0.443 0 C-N-CA 125.438 1.495 . . . . 10.0 112.071 -178.201 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 5.0 mt -69.24 -43.34 74.21 Favored 'General case' 0 N--CA 1.448 -0.538 0 CA-C-O 117.442 -1.266 . . . . 10.0 111.961 -179.453 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 48.5 mt-10 -49.43 -54.82 15.56 Favored 'General case' 0 C--N 1.343 0.313 0 CA-C-N 120.578 1.535 . . . . 10.0 111.416 167.889 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 69.7 mm-40 -48.64 -53.18 19.61 Favored 'General case' 0 CA--C 1.534 0.365 0 CA-C-O 121.888 0.851 . . . . 10.0 109.792 178.265 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 7.6 p -72.3 -37.81 68.89 Favored 'General case' 0 CA--C 1.534 0.355 0 CA-C-O 118.395 -0.812 . . . . 10.0 112.922 -172.777 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 13' ' ' ILE . . . . . . . . . . . . 0.253 2.5 pp -64.56 -41.3 91.88 Favored 'Isoleucine or valine' 0 C--N 1.341 0.23 0 CA-C-N 120.571 1.532 . . . . 10.0 109.589 172.652 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 1.9 tm-20 -58.34 -56.1 26.49 Favored 'General case' 0 N--CA 1.453 -0.296 0 CA-C-N 119.136 0.88 . . . . 10.0 110.001 178.665 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 1.5 t -53.59 -38.63 64.13 Favored 'General case' 0 CA--C 1.544 0.722 0 CA-C-N 118.899 0.772 . . . . 10.0 112.424 -172.878 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 17.3 m -75.95 -39.18 37.06 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.326 0 O-C-N 120.846 -1.159 . . . . 10.0 111.013 175.699 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 43.7 t -59.69 -47.85 89.67 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.297 0 CA-C-N 119.076 0.853 . . . . 10.0 110.867 177.33 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 11.5 t -59.76 -45.12 93.22 Favored 'General case' 0 CA--C 1.539 0.535 0 CA-C-N 119.749 1.159 . . . . 10.0 110.644 177.369 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 47.1 m -58.06 -52.9 63.62 Favored 'General case' 0 C--N 1.343 0.326 0 O-C-N 121.767 -0.583 . . . . 10.0 110.195 177.581 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 2.3 t80 -44.17 -55.83 4.52 Favored 'General case' 0 N--CA 1.457 -0.116 0 C-N-CA 123.948 0.899 . . . . 10.0 109.791 170.312 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 21' ' ' PHE . . . . . . . . . . . . . 33.0 t80 -60.92 -45.24 95.45 Favored 'General case' 0 N--CA 1.45 -0.437 0 C-N-CA 123.436 0.694 . . . . 10.0 111.818 -168.936 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 12.6 t -60.41 -28.29 68.14 Favored 'General case' 0 CA--C 1.538 0.517 0 C-N-CA 120.401 -0.519 . . . . 10.0 111.603 179.298 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 23' ' ' PHE . . . . . . . . . . . . . 92.9 m-85 -80.26 -40.92 26.01 Favored 'General case' 0 C--O 1.218 -0.562 0 O-C-N 121.47 -0.769 . . . . 10.0 111.155 167.274 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -54.0 -36.09 62.57 Favored 'General case' 0 C--O 1.235 0.339 0 O-C-N 120.009 -1.682 . . . . 10.0 111.117 -177.127 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -80.14 -17.47 52.42 Favored 'General case' 0 CA--C 1.534 0.353 0 CA-C-O 117.127 -1.416 . . . . 10.0 114.461 179.172 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -44.16 -57.22 3.54 Favored 'General case' 0 C--N 1.345 0.379 0 CA-C-N 120.385 1.448 . . . . 10.0 112.376 -173.802 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 32.6 mt-10 -116.27 172.14 7.38 Favored 'General case' 0 N--CA 1.447 -0.582 0 C-N-CA 127.308 2.243 . . . . 10.0 107.581 179.445 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -21.57 134.47 0.01 OUTLIER Glycine 0 CA--C 1.533 1.169 0 C-N-CA 127.76 2.6 . . . . 10.0 115.01 176.135 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 41.8 mtt85 62.03 103.25 0.03 OUTLIER 'General case' 0 C--O 1.239 0.53 0 C-N-CA 125.284 1.433 . . . . 10.0 112.031 179.858 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 60.1 pttt -74.9 61.14 1.01 Allowed 'General case' 0 CA--C 1.536 0.427 0 C-N-CA 124.901 1.28 . . . . 10.0 111.19 172.345 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 11.7 t70 -159.27 -50.9 0.06 Allowed 'General case' 0 N--CA 1.461 0.111 0 C-N-CA 126.143 1.777 . . . . 10.0 106.961 170.346 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -83.32 135.87 34.57 Favored 'General case' 0 N--CA 1.442 -0.864 0 CA-C-N 115.869 -0.605 . . . . 10.0 111.132 -179.085 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 2.9 mm? -87.74 120.51 29.13 Favored 'General case' 0 N--CA 1.456 -0.173 0 N-CA-C 106.846 -1.539 . . . . 10.0 106.846 163.108 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 5.7 t -82.52 179.52 7.76 Favored 'General case' 0 CA--C 1.531 0.212 0 CA-C-N 119.085 0.857 . . . . 10.0 109.573 165.572 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 58.5 t -50.79 -58.8 1.51 Allowed 'Isoleucine or valine' 0 CA--C 1.538 0.481 0 C-N-CA 123.873 0.869 . . . . 10.0 112.137 -167.779 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 36' ' ' ASN . . . . . . . . . . . . . 4.8 t30 -59.06 -56.09 26.75 Favored 'General case' 0 CA--C 1.531 0.234 0 N-CA-C 109.789 -0.449 . . . . 10.0 109.789 179.8 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 1.8 mt-10 -37.6 -50.82 1.17 Allowed 'General case' 0 CA--C 1.53 0.18 0 C-N-CA 125.939 1.696 . . . . 10.0 112.048 172.853 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 38' ' ' PHE . . . . . . . . . . . . . 33.5 t80 -64.34 -53.32 50.53 Favored 'General case' 0 N--CA 1.444 -0.739 0 C-N-CA 123.341 0.656 . . . . 10.0 109.436 -179.49 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 48.2 tttt -54.73 -37.65 66.16 Favored 'General case' 0 CA--C 1.533 0.321 0 N-CA-C 111.841 0.311 . . . . 10.0 111.841 179.837 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 80.1 mt-10 -52.7 -36.24 56.93 Favored 'General case' 0 CA--C 1.534 0.331 0 CA-C-O 118.672 -0.68 . . . . 10.0 112.541 177.584 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 2.2 tm? -61.62 -54.64 40.17 Favored 'General case' 0 C--N 1.34 0.195 0 N-CA-C 108.087 -1.079 . . . . 10.0 108.087 -177.648 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 2.1 m -66.34 -50.06 70.76 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.428 0 CA-C-N 115.111 -0.949 . . . . 10.0 108.888 -172.074 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 86.4 m -52.86 -50.84 62.97 Favored 'General case' 0 N--CA 1.449 -0.493 0 C-N-CA 125.039 1.336 . . . . 10.0 110.928 178.536 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 13.7 tt0 -74.76 -59.17 2.86 Favored 'General case' 0 N--CA 1.449 -0.502 0 N-CA-C 110.627 -0.138 . . . . 10.0 110.627 -174.983 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 45' ' ' GLN . . . . . 0.431 ' O ' HG21 ' B' ' 7' ' ' THR . 18.4 mt-30 -111.28 -1.78 15.94 Favored 'General case' 0 CA--C 1.531 0.232 0 N-CA-C 115.475 1.657 . . . . 10.0 115.475 -159.872 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 1.4 tp -127.77 53.29 10.2 Favored Pre-proline 0 CA--C 1.543 0.686 0 CA-C-N 121.258 1.844 . . . . 10.0 113.461 -168.648 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 47' ' ' PRO . . . . . . . . . . . . . 60.6 Cg_endo -69.44 -48.2 0.84 Allowed 'Trans proline' 0 N--CA 1.455 -0.774 0 C-N-CA 123.02 2.48 . . . . 10.0 113.143 -175.15 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 48' ' ' HIS . . . . . . . . . . . . . 6.4 t-160 -78.69 -47.93 15.98 Favored 'General case' 0 C--O 1.235 0.298 0 CA-C-N 118.495 0.588 . . . . 10.0 109.414 -172.157 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 4.9 tp -54.5 -67.34 0.27 Allowed 'General case' 0 C--O 1.235 0.331 0 N-CA-C 112.272 0.471 . . . . 10.0 112.272 -168.311 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 82.7 mt -111.32 77.95 1.08 Allowed 'General case' 0 N--CA 1.451 -0.385 0 N-CA-C 106.879 -1.526 . . . . 10.0 106.879 176.819 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -70.06 76.28 0.5 Allowed 'General case' 0 CA--C 1.54 0.586 0 CA-C-O 123.64 1.686 . . . . 10.0 110.655 178.008 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 15.5 t0 -175.91 78.98 0.02 OUTLIER 'General case' 0 C--N 1.317 -0.81 0 C-N-CA 129.504 3.122 . . . . 10.0 106.247 -178.166 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 34.4 m -86.81 18.36 0.51 Allowed 'Isoleucine or valine' 0 CA--C 1.537 0.458 0 CA-C-N 113.137 -1.847 . . . . 10.0 109.681 161.427 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . -91.97 -79.21 1.4 Allowed Glycine 0 C--N 1.339 0.731 0 N-CA-C 107.319 -2.312 . . . . 10.0 107.319 175.641 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 22.9 t -81.21 58.89 3.7 Favored 'General case' 0 C--O 1.232 0.162 0 CA-C-O 122.974 1.369 . . . . 10.0 109.623 -173.893 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 2.5 tm? -65.96 -29.83 70.3 Favored 'General case' 0 N--CA 1.439 -1.006 0 C-N-CA 124.088 0.955 . . . . 10.0 108.885 170.788 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 4.3 p-10 -51.67 -48.12 63.55 Favored 'General case' 0 CA--C 1.537 0.45 0 C-N-CA 124.094 0.958 . . . . 10.0 111.143 172.947 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 38.0 tt0 -55.96 -52.79 62.91 Favored 'General case' 0 C--O 1.233 0.191 0 C-N-CA 123.334 0.653 . . . . 10.0 109.8 177.939 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -54.85 -52.07 63.92 Favored 'General case' 0 CA--C 1.531 0.245 0 N-CA-C 108.685 -0.857 . . . . 10.0 108.685 177.76 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 60' ' ' MET . . . . . . . . . . . . . 1.9 tmt? -50.52 -55.08 17.67 Favored 'General case' 0 C--O 1.224 -0.253 0 C-N-CA 124.024 0.93 . . . . 10.0 110.103 -178.358 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 44.2 mtmt -58.86 -42.82 90.31 Favored 'General case' 0 CA--C 1.535 0.392 0 CA-C-N 118.198 0.454 . . . . 10.0 111.28 177.812 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 23.0 m -63.2 -30.25 71.43 Favored 'General case' 0 CA--C 1.535 0.381 0 O-C-N 121.912 -0.492 . . . . 10.0 112.245 178.508 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 27.0 mt -86.66 -63.95 1.23 Allowed 'General case' 0 CA--C 1.53 0.181 0 C-N-CA 125.644 1.577 . . . . 10.0 111.091 -177.619 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 46.0 t0 -75.05 74.26 2.23 Favored 'General case' 0 N--CA 1.45 -0.433 0 C-N-CA 125.181 1.393 . . . . 10.0 109.917 -173.726 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 65' ' ' VAL . . . . . . . . . . . . . 35.6 m -49.58 -37.98 12.35 Favored 'Isoleucine or valine' 0 CA--C 1.537 0.459 0 C-N-CA 123.944 0.898 . . . . 10.0 113.013 -176.401 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 66' ' ' ASN . . . . . . . . . . . . . 1.3 p30 -84.41 -9.87 58.04 Favored 'General case' 0 N--CA 1.466 0.357 0 C-N-CA 124.381 1.072 . . . . 10.0 112.68 -179.442 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 67' ' ' GLN . . . . . . . . . . . . . 7.0 tt0 48.7 52.22 14.33 Favored 'General case' 0 CA--C 1.535 0.37 0 C-N-CA 125.222 1.409 . . . . 10.0 111.296 178.828 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 57.6 p-10 -89.13 -10.34 47.61 Favored 'General case' 0 CA--C 1.535 0.368 0 C-N-CA 124.133 0.973 . . . . 10.0 110.049 174.243 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 16.9 m 67.0 27.4 8.79 Favored 'General case' 0 C--N 1.341 0.227 0 C-N-CA 124.355 1.062 . . . . 10.0 111.708 -174.773 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 26.0 mt-10 -131.85 117.76 18.95 Favored 'General case' 0 N--CA 1.445 -0.689 0 C-N-CA 126.08 1.752 . . . . 10.0 106.96 165.177 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 2.2 mm? -84.31 92.76 8.07 Favored 'General case' 0 N--CA 1.447 -0.591 0 N-CA-C 105.936 -1.876 . . . . 10.0 105.936 163.897 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -52.51 161.97 0.62 Allowed 'General case' 0 N--CA 1.468 0.443 0 N-CA-C 108.95 -0.759 . . . . 10.0 108.95 169.279 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 73' ' ' PHE . . . . . . . . . . . . . 5.5 t80 -38.15 -58.44 0.97 Allowed 'General case' 0 CA--C 1.536 0.428 0 C-N-CA 124.432 1.093 . . . . 10.0 111.97 179.326 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 74' ' ' ASN . . . . . . . . . . . . . 4.6 t30 -68.1 -31.52 71.19 Favored 'General case' 0 CA--C 1.537 0.451 0 N-CA-C 112.607 0.595 . . . . 10.0 112.607 -176.673 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 49.5 mt-10 -70.42 -54.08 13.85 Favored 'General case' 0 N--CA 1.456 -0.144 0 N-CA-C 108.882 -0.785 . . . . 10.0 108.882 177.866 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 76' ' ' TYR . . . . . . . . . . . . . 23.2 t80 -48.48 -51.35 27.56 Favored 'General case' 0 CA--C 1.52 -0.208 0 C-N-CA 124.258 1.023 . . . . 10.0 109.713 174.315 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 77' ' ' TRP . . . . . 0.644 ' CZ2' ' CZ2' ' B' ' 77' ' ' TRP . 4.9 t-105 -43.1 -37.81 2.14 Favored 'General case' 0 N--CA 1.448 -0.56 0 C-N-CA 124.271 1.028 . . . . 10.0 111.387 -179.776 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 5.4 mtp-105 -39.95 -49.78 2.48 Favored 'General case' 0 N--CA 1.47 0.532 0 CA-C-N 119.848 1.203 . . . . 10.0 112.369 174.381 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 30.2 tp -46.8 -45.06 19.76 Favored 'General case' 0 N--CA 1.451 -0.391 0 C-N-CA 123.425 0.69 . . . . 10.0 110.624 179.615 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 80' ' ' ILE . . . . . . . . . . . . . 69.7 mt -60.47 -25.59 34.85 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.278 0 C-N-CA 123.142 0.577 . . . . 10.0 109.711 -174.337 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 81' ' ' GLY . . . . . 0.542 ' CA ' ' CE2' ' B' ' 77' ' ' TRP . . . -74.24 -43.45 32.05 Favored Glycine 0 CA--C 1.494 -1.236 0 N-CA-C 109.789 -1.325 . . . . 10.0 109.789 178.496 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 2.5 mm-40 -69.0 -34.69 75.69 Favored 'General case' 0 N--CA 1.434 -1.253 0 N-CA-C 106.537 -1.653 . . . . 10.0 106.537 -177.423 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 83' ' ' LEU . . . . . . . . . . . . . 5.5 mt -62.92 -60.38 3.55 Favored 'General case' 0 CA--C 1.538 0.497 0 C-N-CA 124.029 0.931 . . . . 10.0 111.015 171.579 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -58.75 -26.56 64.09 Favored 'General case' 0 CA--C 1.53 0.209 0 C-N-CA 125.142 1.377 . . . . 10.0 111.563 -177.946 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 85' ' ' LYS . . . . . . . . . . . . . 35.9 ttmt -75.1 -62.18 1.64 Allowed 'General case' 0 N--CA 1.443 -0.816 0 N-CA-C 108.148 -1.056 . . . . 10.0 108.148 171.149 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 21.3 mm-40 -44.28 -48.93 9.54 Favored 'General case' 0 N--CA 1.465 0.315 0 C-N-CA 125.705 1.602 . . . . 10.0 112.596 -178.126 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 87' ' ' ILE . . . . . . . . . . . . . 6.3 tt -51.62 -33.32 14.87 Favored 'Isoleucine or valine' 0 CA--C 1.543 0.684 0 N-CA-C 113.648 0.981 . . . . 10.0 113.648 -178.979 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 88' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -89.45 -53.43 4.54 Favored 'General case' 0 CA--C 1.528 0.133 0 C-N-CA 124.042 0.937 . . . . 10.0 109.354 172.907 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 29.4 tttm -64.43 -25.1 67.86 Favored 'General case' 0 N--CA 1.447 -0.624 0 C-N-CA 127.171 2.188 . . . . 10.0 112.532 -166.83 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 39.4 tttp -34.17 -66.9 0.15 Allowed 'General case' 0 CA--C 1.535 0.377 0 CA-C-N 120.251 1.387 . . . . 10.0 113.042 -117.486 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 91' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -132.5 46.91 2.57 Favored 'General case' 0 CA--C 1.548 0.874 0 CA-C-N 120.276 1.398 . . . . 10.0 109.193 178.079 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 92' ' ' ASP . . . . . . . . . . . . . 86.1 m-20 -58.9 73.33 0.01 OUTLIER 'General case' 0 N--CA 1.469 0.513 0 C-N-CA 129.76 3.224 . . . . 10.0 109.682 177.426 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 93' ' ' LEU . . . . . . . . . . . . . 23.1 tp -175.94 -51.73 0.01 OUTLIER 'General case' 0 N--CA 1.441 -0.925 0 C-N-CA 127.216 2.206 . . . . 10.0 105.793 -168.82 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 74.1 mmtt -118.56 -43.26 2.7 Favored 'General case' 0 CA--C 1.533 0.322 0 C-N-CA 124.127 0.971 . . . . 10.0 111.683 172.9 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 95' ' ' ILE . . . . . 0.403 ' HA ' ' CB ' ' A' ' 96' ' ' ARG . 21.4 mt -139.54 111.0 4.85 Favored 'Isoleucine or valine' 0 CA--C 1.537 0.458 0 C-N-CA 123.853 0.861 . . . . 10.0 109.669 -168.425 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 96' ' ' ARG . . . . . 0.403 ' CB ' ' HA ' ' A' ' 95' ' ' ILE . 5.0 ttm-85 -178.59 -46.5 0.01 OUTLIER 'General case' 0 CA--C 1.541 0.607 1 C-N-CA 133.052 4.541 . . . . 10.0 110.975 -9.327 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 97' ' ' LYS . . . . . 0.458 ' CB ' ' HA ' ' A' ' 98' ' ' LYS 2.247 8.5 mttp 153.92 129.92 0.0 OUTLIER 'General case' 0 CA--C 1.552 1.033 1 C-N-CA 133.418 4.687 . . . . 10.0 106.21 5.096 . . . . . . . . 4 3 . 1 . 001 nuclear build full ' A' A ' 98' ' ' LYS . . . . . 0.458 ' HA ' ' CB ' ' A' ' 97' ' ' LYS 2.406 7.1 ptpt . . . . . 0 C--O 1.251 1.133 2 CA-C-N 127.338 4.608 . . . . 10.0 108.523 11.182 . . . . . . . . 3 2 . 1 . 001 nuclear build full ' B' B ' 1' ' ' MET . . . . . . . . . . . . . 78.7 mmm . . . . . 0 N--CA 1.466 0.337 0 CA-C-O 118.805 -0.617 . . . . 10.0 109.551 . . . . . . . . . 0 0 . 1 . 001 nuclear build full ' B' B ' 2' ' ' ALA . . . . . . . . . . . . . . . -171.92 119.48 0.43 Allowed 'General case' 0 CA--C 1.534 0.361 0 CA-C-O 118.835 -0.602 . . . . 10.0 112.348 176.615 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 3' ' ' ALA . . . . . . . . . . . . . . . 28.07 100.19 0.0 OUTLIER 'General case' 0 CA--C 1.546 0.794 0 N-CA-C 120.114 3.376 . . . . 10.0 120.114 143.103 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 4' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -83.27 -173.51 0.44 Allowed Pre-proline 0 CA--C 1.555 1.169 0 N-CA-C 107.797 -1.186 . . . . 10.0 107.797 142.349 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 5' ' ' PRO . . . . . . . . . . . . . 49.2 Cg_endo -70.06 166.14 28.94 Favored 'Trans proline' 0 C--N 1.35 0.653 0 CA-C-N 122.162 1.808 . . . . 10.0 115.059 -156.497 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 6' ' ' LEU . . . . . . . . . . . . . 46.1 mt -139.33 141.67 37.67 Favored 'General case' 0 CA--C 1.535 0.368 0 C-N-CA 124.908 1.283 . . . . 10.0 109.948 -154.183 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 7' ' ' THR . . . . . 0.588 HG22 ' CD ' ' B' ' 10' ' ' GLU . 6.8 t -81.55 -175.89 5.76 Favored 'General case' 0 CA--C 1.537 0.475 0 C-N-CA 124.143 0.977 . . . . 10.0 110.563 163.905 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 8' ' ' GLU . . . . . . . . . . . . . 44.0 tt0 -49.92 -63.03 1.24 Allowed 'General case' 0 CA--C 1.538 0.51 0 C-N-CA 125.574 1.55 . . . . 10.0 113.233 -173.782 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 9' ' ' LEU . . . . . . . . . . . . . 22.1 mt -61.58 -39.91 92.86 Favored 'General case' 0 N--CA 1.456 -0.16 0 O-C-N 121.599 -0.688 . . . . 10.0 110.117 -178.667 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 10' ' ' GLU . . . . . 0.588 ' CD ' HG22 ' B' ' 7' ' ' THR . 95.6 mt-10 -57.69 -42.53 83.88 Favored 'General case' 0 CA--C 1.549 0.93 0 C-N-CA 123.879 0.872 . . . . 10.0 110.668 176.569 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 11' ' ' GLU . . . . . . . . . . . . . 4.2 mt-10 -59.95 -51.44 69.69 Favored 'General case' 0 C--N 1.341 0.221 0 O-C-N 120.914 -1.116 . . . . 10.0 110.038 173.956 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 12' ' ' SER . . . . . . . . . . . . . 3.0 p -71.9 -23.09 61.42 Favored 'General case' 0 CA--C 1.535 0.377 0 N-CA-C 112.798 0.666 . . . . 10.0 112.798 -171.218 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 13' ' ' ILE . . . . . . . . . . . . 0.251 2.8 pp -76.37 -33.73 23.91 Favored 'Isoleucine or valine' 0 CA--C 1.536 0.429 0 CA-C-N 119.45 1.023 . . . . 10.0 110.541 164.798 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 14' ' ' GLU . . . . . . . . . . . . . 2.3 tm-20 -59.91 -54.22 48.68 Favored 'General case' 0 CA--C 1.531 0.248 0 CA-C-N 119.503 1.047 . . . . 10.0 110.604 174.018 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 15' ' ' THR . . . . . . . . . . . . . 4.8 t -50.5 -38.79 46.19 Favored 'General case' 0 CA--C 1.542 0.666 0 CA-C-O 121.285 0.564 . . . . 10.0 112.051 -169.003 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 16' ' ' VAL . . . . . . . . . . . . . 34.9 m -73.98 -36.91 46.27 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.388 0 O-C-N 121.209 -0.932 . . . . 10.0 111.63 176.851 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 17' ' ' VAL . . . . . . . . . . . . . 75.6 t -61.18 -49.63 83.83 Favored 'Isoleucine or valine' 0 CA--C 1.53 0.177 0 CA-C-N 118.531 0.605 . . . . 10.0 109.957 174.343 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 18' ' ' THR . . . . . . . . . . . . . 9.0 t -59.9 -41.7 92.22 Favored 'General case' 0 CA--C 1.539 0.551 0 O-C-N 121.061 -1.025 . . . . 10.0 110.922 176.886 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 19' ' ' THR . . . . . . . . . . . . . 28.0 m -56.8 -52.56 64.57 Favored 'General case' 0 CA--C 1.538 0.486 0 CA-C-N 119.445 1.02 . . . . 10.0 110.406 175.211 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 20' ' ' PHE . . . . . . . . . . . . . 1.0 OUTLIER -44.56 -58.29 3.1 Favored 'General case' 0 CA--C 1.529 0.16 0 C-N-CA 124.291 1.036 . . . . 10.0 110.118 171.806 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 21' ' ' PHE . . . . . . . . . . . . . 9.4 t80 -63.02 -50.88 68.96 Favored 'General case' 0 CA--C 1.531 0.245 0 C-N-CA 124.188 0.995 . . . . 10.0 110.938 -170.071 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 22' ' ' THR . . . . . . . . . . . . . 27.0 p -56.74 -40.61 76.06 Favored 'General case' 0 CA--C 1.529 0.16 0 C-N-CA 123.462 0.705 . . . . 10.0 111.184 -178.338 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 23' ' ' PHE . . . . . . . . . . . . . 18.2 m-85 -69.56 -53.71 17.61 Favored 'General case' 0 C--O 1.222 -0.372 0 CA-C-N 118.513 0.597 . . . . 10.0 110.581 171.533 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 24' ' ' ALA . . . . . . . . . . . . . . . -60.0 -20.31 57.06 Favored 'General case' 0 N--CA 1.45 -0.449 0 C-N-CA 127.048 2.139 . . . . 10.0 112.708 -168.34 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 25' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -55.93 -28.56 57.46 Favored 'General case' 0 N--CA 1.453 -0.319 0 CA-C-O 118.257 -0.878 . . . . 10.0 111.957 171.413 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 26' ' ' GLN . . . . . 0.486 ' HB2' ' HG2' ' B' ' 37' ' ' GLU . 0.7 OUTLIER -51.87 -64.68 0.74 Allowed 'General case' 0 CA--C 1.534 0.35 0 N-CA-C 115.22 1.563 . . . . 10.0 115.22 -154.845 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' B' B ' 27' ' ' GLU . . . . . . . . . . . . . 42.8 mt-10 -88.46 -78.33 0.34 Allowed 'General case' 0 CA--C 1.533 0.305 0 C-N-CA 118.907 -1.117 . . . . 10.0 112.758 -163.712 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 28' ' ' GLY . . . . . . . . . . . . . . . -93.82 160.38 24.22 Favored Glycine 0 N--CA 1.446 -0.654 0 C-N-CA 127.965 2.698 . . . . 10.0 110.088 151.03 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 29' ' ' ARG . . . . . . . . . . . . . 11.9 ttt180 51.98 101.53 0.01 OUTLIER 'General case' 0 C--O 1.239 0.501 0 N-CA-C 114.817 1.414 . . . . 10.0 114.817 137.15 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 30' ' ' LYS . . . . . . . . . . . . . 50.6 pttt -59.39 -42.95 92.87 Favored 'General case' 0 N--CA 1.451 -0.414 0 CA-C-N 115.43 -0.805 . . . . 10.0 112.329 176.024 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 31' ' ' ASP . . . . . . . . . . . . . 1.8 m-20 -63.69 -12.4 33.93 Favored 'General case' 0 CA--C 1.541 0.618 0 N-CA-C 113.523 0.934 . . . . 10.0 113.523 -173.983 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 32' ' ' SER . . . . . . . . . . . . . 52.2 p -130.45 138.5 50.33 Favored 'General case' 0 C--O 1.241 0.617 0 CA-C-N 119.509 1.05 . . . . 10.0 111.364 177.576 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 33' ' ' LEU . . . . . . . . . . . . . 2.5 mm? -72.14 135.33 46.15 Favored 'General case' 0 N--CA 1.453 -0.287 0 N-CA-C 108.599 -0.889 . . . . 10.0 108.599 169.021 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 34' ' ' SER . . . . . . . . . . . . . 3.5 m -118.67 162.01 19.14 Favored 'General case' 0 CA--C 1.549 0.91 0 C-N-CA 127.208 2.203 . . . . 10.0 107.201 -179.94 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 35' ' ' VAL . . . . . . . . . . . . . 9.9 p -99.38 49.48 0.12 Allowed 'Isoleucine or valine' 0 N--CA 1.469 0.484 0 O-C-N 120.164 -1.585 . . . . 10.0 112.482 -167.713 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 36' ' ' ASN . . . . . . . . . . . . . 1.8 t30 -156.05 55.12 0.58 Allowed 'General case' 0 N--CA 1.445 -0.704 0 C-N-CA 127.642 2.377 . . . . 10.0 104.804 144.103 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 37' ' ' GLU . . . . . 0.486 ' HG2' ' HB2' ' B' ' 26' ' ' GLN . 73.9 mt-10 -141.74 -53.54 0.44 Allowed 'General case' 0 N--CA 1.451 -0.421 0 C-N-CA 130.76 3.624 . . . . 10.0 103.585 165.863 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 38' ' ' PHE . . . . . . . . . . . . . 0.4 OUTLIER -58.39 -58.7 7.36 Favored 'General case' 0 N--CA 1.448 -0.567 0 CA-C-N 115.53 -0.759 . . . . 10.0 110.138 179.542 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 39' ' ' LYS . . . . . . . . . . . . . 30.3 tttt -60.82 -36.63 79.58 Favored 'General case' 0 CA--C 1.533 0.318 0 C-N-CA 119.909 -0.716 . . . . 10.0 110.276 -176.325 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 40' ' ' GLU . . . . . . . . . . . . . 72.7 mt-10 -57.66 -40.17 78.73 Favored 'General case' 0 CA--C 1.533 0.321 0 N-CA-C 112.161 0.43 . . . . 10.0 112.161 170.216 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 41' ' ' LEU . . . . . . . . . . . . . 16.5 tp -69.47 -42.36 74.98 Favored 'General case' 0 N--CA 1.456 -0.163 0 N-CA-C 108.621 -0.881 . . . . 10.0 108.621 -175.35 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 42' ' ' VAL . . . . . . . . . . . . . 3.7 m -72.41 -43.6 63.75 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.302 0 C-N-CA 119.959 -0.697 . . . . 10.0 110.547 -178.908 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 43' ' ' THR . . . . . . . . . . . . . 74.8 m -57.26 -53.62 56.06 Favored 'General case' 0 N--CA 1.452 -0.336 0 C-N-CA 123.367 0.667 . . . . 10.0 110.721 175.406 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 44' ' ' GLN . . . . . . . . . . . . . 9.0 tt0 -81.33 -61.07 2.05 Favored 'General case' 0 CA--C 1.532 0.271 0 C-N-CA 123.659 0.784 . . . . 10.0 111.16 -172.152 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 45' ' ' GLN . . . . . . . . . . . . . 1.0 OUTLIER -83.49 -49.82 8.9 Favored 'General case' 0 CA--C 1.535 0.367 0 C-N-CA 124.167 0.987 . . . . 10.0 113.034 -166.09 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 46' ' ' LEU . . . . . . . . . . . . . 2.8 mm? -81.64 -15.62 0.23 Allowed Pre-proline 0 CA--C 1.543 0.692 0 N-CA-C 118.651 2.834 . . . . 10.0 118.651 -174.843 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 47' ' ' PRO . . . . . . . . . . . . . 35.7 Cg_endo -51.1 -44.56 41.77 Favored 'Trans proline' 0 C--N 1.347 0.451 0 C-N-CA 123.429 2.753 . . . . 10.0 114.924 -144.32 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 48' ' ' HIS . . . . . . . . . . . . . 49.1 t-80 -60.11 -41.96 93.71 Favored 'General case' 0 CA--C 1.534 0.349 0 O-C-N 122.169 -0.332 . . . . 10.0 111.474 178.285 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 49' ' ' LEU . . . . . . . . . . . . . 29.1 tp -79.09 -61.63 1.95 Allowed 'General case' 0 N--CA 1.45 -0.443 0 N-CA-C 108.752 -0.833 . . . . 10.0 108.752 -173.755 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 50' ' ' LEU . . . . . 0.419 HD23 ' HA ' ' B' ' 50' ' ' LEU . 41.7 mt -82.34 76.02 9.23 Favored 'General case' 0 N--CA 1.456 -0.133 0 CA-C-O 121.978 0.894 . . . . 10.0 108.747 169.973 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 51' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -67.1 60.33 0.05 OUTLIER 'General case' 0 CA--C 1.53 0.183 0 C-N-CA 128.065 2.546 . . . . 10.0 112.448 166.465 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 52' ' ' ASP . . . . . . . . . . . . . 31.8 t0 -177.77 55.49 0.01 OUTLIER 'General case' 0 C--N 1.317 -0.824 0 C-N-CA 129.932 3.293 . . . . 10.0 106.882 169.124 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 53' ' ' VAL . . . . . . . . . . . . . 18.5 m -58.87 -34.09 51.44 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.368 0 CA-C-N 114.054 -1.43 . . . . 10.0 110.021 164.943 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 54' ' ' GLY . . . . . . . . . . . . . . . -55.83 -65.6 3.44 Favored Glycine 0 C--N 1.338 0.689 0 C-N-CA 124.325 0.964 . . . . 10.0 111.571 -176.168 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 55' ' ' SER . . . . . . . . . . . . . 22.7 t -89.88 39.23 0.95 Allowed 'General case' 0 C--O 1.234 0.264 0 CA-C-N 117.384 0.592 . . . . 10.0 111.011 -174.02 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 56' ' ' LEU . . . . . . . . . . . . . 1.8 tm? -42.45 -48.13 5.15 Favored 'General case' 0 N--CA 1.449 -0.475 0 C-N-CA 125.263 1.425 . . . . 10.0 109.419 169.72 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 57' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -43.38 -41.33 4.1 Favored 'General case' 0 CA--C 1.541 0.597 0 C-N-CA 127.172 2.189 . . . . 10.0 112.465 -176.962 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 58' ' ' GLU . . . . . . . . . . . . . 37.2 tt0 -63.65 -49.67 72.32 Favored 'General case' 0 CA--C 1.534 0.336 0 O-C-N 121.763 -0.586 . . . . 10.0 110.421 175.207 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 59' ' ' LYS . . . . . 0.407 ' H ' ' HE3' ' B' ' 59' ' ' LYS . 0.0 OUTLIER -59.2 -47.14 86.43 Favored 'General case' 0 N--CA 1.453 -0.322 0 N-CA-C 107.84 -1.17 . . . . 10.0 107.84 178.962 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' B' B ' 60' ' ' MET . . . . . . . . . . . . . 2.0 tmt? -51.63 -54.55 26.7 Favored 'General case' 0 N--CA 1.455 -0.179 0 C-N-CA 124.174 0.99 . . . . 10.0 110.21 176.586 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 61' ' ' LYS . . . . . . . . . . . . . 22.5 ttmm -57.3 -43.46 83.25 Favored 'General case' 0 CA--C 1.535 0.381 0 CA-C-N 117.76 0.255 . . . . 10.0 110.878 179.233 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 62' ' ' SER . . . . . . . . . . . . . 18.5 m -63.39 -38.2 90.22 Favored 'General case' 0 CA--C 1.536 0.415 0 C-N-CA 123.055 0.542 . . . . 10.0 111.846 178.262 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 63' ' ' LEU . . . . . . . . . . . . . 34.2 mt -70.5 -57.53 4.68 Favored 'General case' 0 N--CA 1.454 -0.238 0 C-N-CA 125.202 1.401 . . . . 10.0 109.953 -178.548 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 64' ' ' ASP . . . . . . . . . . . . . 7.4 t70 -58.13 -13.04 4.08 Favored 'General case' 0 CA--C 1.53 0.181 0 N-CA-C 116.593 2.072 . . . . 10.0 116.593 -160.93 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 65' ' ' VAL . . . . . . . . . . . . . 19.8 m -35.71 -21.51 0.01 OUTLIER 'Isoleucine or valine' 0 N--CA 1.468 0.445 0 C-N-CA 130.371 3.468 . . . . 10.0 119.194 -129.904 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 66' ' ' ASN . . . . . . . . . . . . . 8.6 p-10 -58.38 -25.03 61.59 Favored 'General case' 0 CA--C 1.536 0.43 0 CA-C-N 120.543 1.52 . . . . 10.0 110.369 163.677 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 67' ' ' GLN . . . . . . . . . . . . . 6.6 tt0 67.66 19.7 9.72 Favored 'General case' 0 CA--C 1.534 0.363 0 C-N-CA 125.768 1.627 . . . . 10.0 111.595 173.115 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 68' ' ' ASP . . . . . . . . . . . . . 53.6 p30 -61.31 -18.2 57.39 Favored 'General case' 0 CA--C 1.533 0.314 0 O-C-N 122.077 -0.389 . . . . 10.0 110.824 167.471 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 69' ' ' SER . . . . . . . . . . . . . 14.9 m 69.22 10.45 7.83 Favored 'General case' 0 N--CA 1.452 -0.327 0 C-N-CA 125.137 1.375 . . . . 10.0 112.668 -179.468 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 70' ' ' GLU . . . . . . . . . . . . . 21.6 mt-10 -88.91 111.78 22.5 Favored 'General case' 0 N--CA 1.448 -0.57 0 N-CA-C 105.09 -2.189 . . . . 10.0 105.09 153.548 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 71' ' ' LEU . . . . . . . . . . . . . 3.3 mm? -72.38 101.77 2.99 Favored 'General case' 0 N--CA 1.449 -0.496 0 N-CA-C 105.394 -2.076 . . . . 10.0 105.394 172.464 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 72' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -81.82 172.3 13.51 Favored 'General case' 0 C--O 1.236 0.374 0 C-N-CA 123.838 0.855 . . . . 10.0 110.006 -157.706 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 73' ' ' PHE . . . . . . . . . . . . . 0.4 OUTLIER -80.49 73.84 7.39 Favored 'General case' 0 CA--C 1.533 0.304 0 N-CA-C 107.118 -1.438 . . . . 10.0 107.118 -174.275 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 74' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER 98.95 49.42 0.0 OUTLIER 'General case' 0 CA--C 1.535 0.403 1 C-N-CA 133.581 4.752 . . . . 10.0 108.242 -171.473 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' B' B ' 75' ' ' GLU . . . . . . . . . . . . . 67.3 mt-10 -90.14 -60.5 1.91 Allowed 'General case' 0 CA--C 1.533 0.291 0 O-C-N 120.273 -1.517 . . . . 10.0 108.353 112.616 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 76' ' ' TYR . . . . . . . . . . . . . 13.2 t80 -39.57 -52.38 2.18 Favored 'General case' 0 C--N 1.346 0.424 0 C-N-CA 126.703 2.001 . . . . 10.0 111.872 -170.928 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 77' ' ' TRP . . . . . 0.644 ' CZ2' ' CZ2' ' A' ' 77' ' ' TRP . 53.8 t90 -43.22 -39.73 3.08 Favored 'General case' 0 N--CA 1.446 -0.672 0 C-N-CA 124.852 1.261 . . . . 10.0 112.457 -172.106 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 78' ' ' ARG . . . . . . . . . . . . . 96.5 mtt180 -38.97 -44.56 1.09 Allowed 'General case' 0 CA--C 1.534 0.333 0 C-N-CA 124.248 1.019 . . . . 10.0 111.91 174.941 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 79' ' ' LEU . . . . . . . . . . . . . 9.9 tp -49.12 -50.33 37.84 Favored 'General case' 0 N--CA 1.452 -0.352 0 C-N-CA 123.898 0.879 . . . . 10.0 111.534 -179.236 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 80' ' ' ILE . . . . . . . . . . . . . 94.6 mt -58.34 -30.08 39.46 Favored 'Isoleucine or valine' 0 CA--C 1.54 0.585 0 N-CA-C 108.303 -0.999 . . . . 10.0 108.303 -179.378 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 81' ' ' GLY . . . . . 0.547 ' CA ' ' CZ2' ' A' ' 77' ' ' TRP . . . -67.35 -44.44 84.98 Favored Glycine 0 CA--C 1.499 -0.961 0 C-N-CA 126.962 2.22 . . . . 10.0 112.617 176.837 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 82' ' ' GLU . . . . . . . . . . . . . 3.2 mm-40 -69.01 -48.1 63.84 Favored 'General case' 0 N--CA 1.431 -1.378 0 N-CA-C 106.753 -1.573 . . . . 10.0 106.753 -177.76 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 83' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -55.77 -45.62 78.1 Favored 'General case' 0 CA--C 1.539 0.52 0 CA-C-N 120.055 1.298 . . . . 10.0 112.223 169.879 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 84' ' ' ALA . . . . . . . . . . . . . . . -54.16 -50.29 67.33 Favored 'General case' 0 N--CA 1.456 -0.165 0 O-C-N 121.99 -0.444 . . . . 10.0 111.343 -179.192 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 85' ' ' LYS . . . . . . . . . . . . . 1.3 ptpt -70.32 -40.6 74.09 Favored 'General case' 0 C--O 1.22 -0.459 0 CA-C-O 117.272 -1.347 . . . . 10.0 110.685 175.852 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 86' ' ' GLU . . . . . . . . . . . . . 4.1 mm-40 -44.23 -45.77 8.66 Favored 'General case' 0 N--CA 1.471 0.617 0 C-N-CA 125.806 1.642 . . . . 10.0 111.69 -174.895 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 87' ' ' ILE . . . . . . . . . . . . . 5.1 tt -51.07 -39.82 20.37 Favored 'Isoleucine or valine' 0 CA--C 1.543 0.688 0 CA-C-O 120.818 0.342 . . . . 10.0 111.509 179.215 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 88' ' ' ARG . . . . . . . . . . . . . 22.5 ttt85 -82.61 -38.18 23.94 Favored 'General case' 0 CA--C 1.539 0.52 0 C-N-CA 126.076 1.751 . . . . 10.0 111.739 171.803 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 89' ' ' LYS . . . . . . . . . . . . . 68.9 tttt -116.97 79.09 1.28 Allowed 'General case' 0 N--CA 1.45 -0.458 0 C-N-CA 125.361 1.464 . . . . 10.0 111.48 -161.184 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 90' ' ' LYS . . . . . . . . . . . . . 5.8 ttpt -37.49 -54.77 1.12 Allowed 'General case' 0 CA--C 1.542 0.646 0 C-N-CA 127.434 2.293 . . . . 10.0 113.089 -179.756 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 91' ' ' LYS . . . . . . . . . . . . . 60.8 tttm -154.23 -2.57 0.18 Allowed 'General case' 0 N--CA 1.472 0.647 0 CA-C-N 119.288 0.949 . . . . 10.0 113.329 179.205 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 92' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -92.94 48.95 1.38 Allowed 'General case' 0 C--N 1.329 -0.284 0 O-C-N 120.874 -1.141 . . . . 10.0 110.711 -145.527 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 93' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -93.31 -53.73 3.98 Favored 'General case' 0 N--CA 1.461 0.119 0 C-N-CA 123.294 0.638 . . . . 10.0 112.084 -178.192 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 94' ' ' LYS . . . . . . . . . . . . 2.454 1.4 mtpm? 46.96 -104.6 0.1 Allowed 'General case' 0 CA--C 1.54 0.562 0 C-N-CA 124.066 0.946 . . . . 10.0 111.889 -165.195 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 95' ' ' ILE . . . . . . . . . . . . 0.266 13.4 pt 54.59 151.19 0.0 OUTLIER 'Isoleucine or valine' 0 CA--C 1.54 0.573 0 C-N-CA 126.695 1.998 . . . . 10.0 114.662 -166.042 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 96' ' ' ARG . . . . . . . . . . . . . 2.3 tmm_? -167.16 127.15 1.47 Allowed 'General case' 0 N--CA 1.456 -0.16 0 C-N-CA 127.064 2.146 . . . . 10.0 105.36 176.432 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 97' ' ' LYS . . . . . . . . . . . . . 6.8 tmtt? -175.32 125.57 0.25 Allowed 'General case' 0 CA--C 1.533 0.312 0 N-CA-C 106.224 -1.769 . . . . 10.0 106.224 -162.529 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 98' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--O 1.249 1.062 0 N-CA-C 106.429 -1.693 . . . . 10.0 106.429 166.33 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 197' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 198' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 nuclear build full ' B' B ' 199' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 nuclear build full ' B' B ' 200' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 67.8 mtt . . . . . 0 N--CA 1.472 0.67 0 N-CA-C 104.414 -2.439 . . . . 10.0 104.414 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -62.03 172.71 1.29 Allowed 'General case' 0 C--O 1.239 0.501 0 C-N-CA 119.044 -1.062 . . . . 10.0 108.541 134.19 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . 71.58 55.6 0.2 Allowed 'General case' 0 C--N 1.33 -0.259 0 C-N-CA 125.382 1.473 . . . . 10.0 107.877 -161.394 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 1.9 pm0 -81.55 130.54 61.25 Favored Pre-proline 0 N--CA 1.446 -0.671 0 C-N-CA 126.054 1.742 . . . . 10.0 109.177 -177.203 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 5' ' ' PRO . . . . . . . . . . . . . 94.7 Cg_endo -69.69 150.96 69.32 Favored 'Trans proline' 0 N--CA 1.452 -0.97 0 C-N-CA 121.885 1.723 . . . . 10.0 108.915 176.159 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 58.4 mt -109.11 179.81 4.06 Favored 'General case' 0 N--CA 1.452 -0.338 0 C-N-CA 124.982 1.313 . . . . 10.0 107.639 -179.646 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 2.8 t -70.1 154.63 41.7 Favored 'General case' 0 CA--C 1.531 0.232 0 O-C-N 120.635 -1.291 . . . . 10.0 109.621 -179.925 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 43.9 tt0 -42.76 -48.3 5.61 Favored 'General case' 0 CA--C 1.537 0.443 0 C-N-CA 125.438 1.495 . . . . 10.0 112.071 -178.201 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 5.0 mt -69.24 -43.34 74.21 Favored 'General case' 0 N--CA 1.448 -0.538 0 CA-C-O 117.442 -1.266 . . . . 10.0 111.961 -179.453 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 48.5 mt-10 -49.43 -54.82 15.56 Favored 'General case' 0 C--N 1.343 0.313 0 CA-C-N 120.578 1.535 . . . . 10.0 111.416 167.889 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 69.7 mm-40 -48.64 -53.18 19.61 Favored 'General case' 0 CA--C 1.534 0.365 0 CA-C-O 121.888 0.851 . . . . 10.0 109.792 178.265 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 7.6 p -72.3 -37.81 68.89 Favored 'General case' 0 CA--C 1.534 0.355 0 CA-C-O 118.395 -0.812 . . . . 10.0 112.922 -172.777 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 13' ' ' ILE . . . . . . . . . . . . 0.253 2.5 pp -64.56 -41.3 91.88 Favored 'Isoleucine or valine' 0 C--N 1.341 0.23 0 CA-C-N 120.571 1.532 . . . . 10.0 109.589 172.652 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 1.9 tm-20 -58.34 -56.1 26.49 Favored 'General case' 0 N--CA 1.453 -0.296 0 CA-C-N 119.136 0.88 . . . . 10.0 110.001 178.665 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 1.5 t -53.59 -38.63 64.13 Favored 'General case' 0 CA--C 1.544 0.722 0 CA-C-N 118.899 0.772 . . . . 10.0 112.424 -172.878 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 17.3 m -75.95 -39.18 37.06 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.326 0 O-C-N 120.846 -1.159 . . . . 10.0 111.013 175.699 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 43.7 t -59.69 -47.85 89.67 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.297 0 CA-C-N 119.076 0.853 . . . . 10.0 110.867 177.33 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 11.5 t -59.76 -45.12 93.22 Favored 'General case' 0 CA--C 1.539 0.535 0 CA-C-N 119.749 1.159 . . . . 10.0 110.644 177.369 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 47.1 m -58.06 -52.9 63.62 Favored 'General case' 0 C--N 1.343 0.326 0 O-C-N 121.767 -0.583 . . . . 10.0 110.195 177.581 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 2.3 t80 -44.17 -55.83 4.52 Favored 'General case' 0 N--CA 1.457 -0.116 0 C-N-CA 123.948 0.899 . . . . 10.0 109.791 170.312 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 21' ' ' PHE . . . . . . . . . . . . . 33.0 t80 -60.92 -45.24 95.45 Favored 'General case' 0 N--CA 1.45 -0.437 0 C-N-CA 123.436 0.694 . . . . 10.0 111.818 -168.936 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 12.6 t -60.41 -28.29 68.14 Favored 'General case' 0 CA--C 1.538 0.517 0 C-N-CA 120.401 -0.519 . . . . 10.0 111.603 179.298 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 23' ' ' PHE . . . . . . . . . . . . . 92.9 m-85 -80.26 -40.92 26.01 Favored 'General case' 0 C--O 1.218 -0.562 0 O-C-N 121.47 -0.769 . . . . 10.0 111.155 167.274 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -54.0 -36.09 62.57 Favored 'General case' 0 C--O 1.235 0.339 0 O-C-N 120.009 -1.682 . . . . 10.0 111.117 -177.127 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -80.14 -17.47 52.42 Favored 'General case' 0 CA--C 1.534 0.353 0 CA-C-O 117.127 -1.416 . . . . 10.0 114.461 179.172 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -44.16 -57.22 3.54 Favored 'General case' 0 C--N 1.345 0.379 0 CA-C-N 120.385 1.448 . . . . 10.0 112.376 -173.802 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 32.6 mt-10 -116.27 172.14 7.38 Favored 'General case' 0 N--CA 1.447 -0.582 0 C-N-CA 127.308 2.243 . . . . 10.0 107.581 179.445 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -21.57 134.47 0.01 OUTLIER Glycine 0 CA--C 1.533 1.169 0 C-N-CA 127.76 2.6 . . . . 10.0 115.01 176.135 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 41.8 mtt85 62.03 103.25 0.03 OUTLIER 'General case' 0 C--O 1.239 0.53 0 C-N-CA 125.284 1.433 . . . . 10.0 112.031 179.858 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 60.1 pttt -74.9 61.14 1.01 Allowed 'General case' 0 CA--C 1.536 0.427 0 C-N-CA 124.901 1.28 . . . . 10.0 111.19 172.345 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 11.7 t70 -159.27 -50.9 0.06 Allowed 'General case' 0 N--CA 1.461 0.111 0 C-N-CA 126.143 1.777 . . . . 10.0 106.961 170.346 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -83.32 135.87 34.57 Favored 'General case' 0 N--CA 1.442 -0.864 0 CA-C-N 115.869 -0.605 . . . . 10.0 111.132 -179.085 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 2.9 mm? -87.74 120.51 29.13 Favored 'General case' 0 N--CA 1.456 -0.173 0 N-CA-C 106.846 -1.539 . . . . 10.0 106.846 163.108 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 5.7 t -82.52 179.52 7.76 Favored 'General case' 0 CA--C 1.531 0.212 0 CA-C-N 119.085 0.857 . . . . 10.0 109.573 165.572 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 58.5 t -50.79 -58.8 1.51 Allowed 'Isoleucine or valine' 0 CA--C 1.538 0.481 0 C-N-CA 123.873 0.869 . . . . 10.0 112.137 -167.779 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 36' ' ' ASN . . . . . . . . . . . . . 4.8 t30 -59.06 -56.09 26.75 Favored 'General case' 0 CA--C 1.531 0.234 0 N-CA-C 109.789 -0.449 . . . . 10.0 109.789 179.8 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 1.8 mt-10 -37.6 -50.82 1.17 Allowed 'General case' 0 CA--C 1.53 0.18 0 C-N-CA 125.939 1.696 . . . . 10.0 112.048 172.853 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 38' ' ' PHE . . . . . . . . . . . . . 33.5 t80 -64.34 -53.32 50.53 Favored 'General case' 0 N--CA 1.444 -0.739 0 C-N-CA 123.341 0.656 . . . . 10.0 109.436 -179.49 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 48.2 tttt -54.73 -37.65 66.16 Favored 'General case' 0 CA--C 1.533 0.321 0 N-CA-C 111.841 0.311 . . . . 10.0 111.841 179.837 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 80.1 mt-10 -52.7 -36.24 56.93 Favored 'General case' 0 CA--C 1.534 0.331 0 CA-C-O 118.672 -0.68 . . . . 10.0 112.541 177.584 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 2.2 tm? -61.62 -54.64 40.17 Favored 'General case' 0 C--N 1.34 0.195 0 N-CA-C 108.087 -1.079 . . . . 10.0 108.087 -177.648 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 2.1 m -66.34 -50.06 70.76 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.428 0 CA-C-N 115.111 -0.949 . . . . 10.0 108.888 -172.074 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 86.4 m -52.86 -50.84 62.97 Favored 'General case' 0 N--CA 1.449 -0.493 0 C-N-CA 125.039 1.336 . . . . 10.0 110.928 178.536 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 13.7 tt0 -74.76 -59.17 2.86 Favored 'General case' 0 N--CA 1.449 -0.502 0 N-CA-C 110.627 -0.138 . . . . 10.0 110.627 -174.983 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 45' ' ' GLN . . . . . 0.431 ' O ' HG21 ' B' ' 7' ' ' THR . 18.4 mt-30 -111.28 -1.78 15.94 Favored 'General case' 0 CA--C 1.531 0.232 0 N-CA-C 115.475 1.657 . . . . 10.0 115.475 -159.872 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 1.4 tp -127.77 53.29 10.2 Favored Pre-proline 0 CA--C 1.543 0.686 0 CA-C-N 121.258 1.844 . . . . 10.0 113.461 -168.648 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 47' ' ' PRO . . . . . . . . . . . . . 60.6 Cg_endo -69.44 -48.2 0.84 Allowed 'Trans proline' 0 N--CA 1.455 -0.774 0 C-N-CA 123.02 2.48 . . . . 10.0 113.143 -175.15 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 48' ' ' HIS . . . . . . . . . . . . . 6.4 t-160 -78.69 -47.93 15.98 Favored 'General case' 0 C--O 1.235 0.298 0 CA-C-N 118.495 0.588 . . . . 10.0 109.414 -172.157 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 4.9 tp -54.5 -67.34 0.27 Allowed 'General case' 0 C--O 1.235 0.331 0 N-CA-C 112.272 0.471 . . . . 10.0 112.272 -168.311 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 82.7 mt -111.32 77.95 1.08 Allowed 'General case' 0 N--CA 1.451 -0.385 0 N-CA-C 106.879 -1.526 . . . . 10.0 106.879 176.819 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -70.06 76.28 0.5 Allowed 'General case' 0 CA--C 1.54 0.586 0 CA-C-O 123.64 1.686 . . . . 10.0 110.655 178.008 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 15.5 t0 -175.91 78.98 0.02 OUTLIER 'General case' 0 C--N 1.317 -0.81 0 C-N-CA 129.504 3.122 . . . . 10.0 106.247 -178.166 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 34.4 m -86.81 18.36 0.51 Allowed 'Isoleucine or valine' 0 CA--C 1.537 0.458 0 CA-C-N 113.137 -1.847 . . . . 10.0 109.681 161.427 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . -91.97 -79.21 1.4 Allowed Glycine 0 C--N 1.339 0.731 0 N-CA-C 107.319 -2.312 . . . . 10.0 107.319 175.641 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 22.9 t -81.21 58.89 3.7 Favored 'General case' 0 C--O 1.232 0.162 0 CA-C-O 122.974 1.369 . . . . 10.0 109.623 -173.893 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 2.5 tm? -65.96 -29.83 70.3 Favored 'General case' 0 N--CA 1.439 -1.006 0 C-N-CA 124.088 0.955 . . . . 10.0 108.885 170.788 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 4.3 p-10 -51.67 -48.12 63.55 Favored 'General case' 0 CA--C 1.537 0.45 0 C-N-CA 124.094 0.958 . . . . 10.0 111.143 172.947 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 38.0 tt0 -55.96 -52.79 62.91 Favored 'General case' 0 C--O 1.233 0.191 0 C-N-CA 123.334 0.653 . . . . 10.0 109.8 177.939 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -54.85 -52.07 63.92 Favored 'General case' 0 CA--C 1.531 0.245 0 N-CA-C 108.685 -0.857 . . . . 10.0 108.685 177.76 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 60' ' ' MET . . . . . . . . . . . . . 1.9 tmt? -50.52 -55.08 17.67 Favored 'General case' 0 C--O 1.224 -0.253 0 C-N-CA 124.024 0.93 . . . . 10.0 110.103 -178.358 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 44.2 mtmt -58.86 -42.82 90.31 Favored 'General case' 0 CA--C 1.535 0.392 0 CA-C-N 118.198 0.454 . . . . 10.0 111.28 177.812 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 23.0 m -63.2 -30.25 71.43 Favored 'General case' 0 CA--C 1.535 0.381 0 O-C-N 121.912 -0.492 . . . . 10.0 112.245 178.508 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 27.0 mt -86.66 -63.95 1.23 Allowed 'General case' 0 CA--C 1.53 0.181 0 C-N-CA 125.644 1.577 . . . . 10.0 111.091 -177.619 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 46.0 t0 -75.05 74.26 2.23 Favored 'General case' 0 N--CA 1.45 -0.433 0 C-N-CA 125.181 1.393 . . . . 10.0 109.917 -173.726 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 65' ' ' VAL . . . . . . . . . . . . . 35.6 m -49.58 -37.98 12.35 Favored 'Isoleucine or valine' 0 CA--C 1.537 0.459 0 C-N-CA 123.944 0.898 . . . . 10.0 113.013 -176.401 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 66' ' ' ASN . . . . . . . . . . . . . 1.3 p30 -84.41 -9.87 58.04 Favored 'General case' 0 N--CA 1.466 0.357 0 C-N-CA 124.381 1.072 . . . . 10.0 112.68 -179.442 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 67' ' ' GLN . . . . . . . . . . . . . 7.0 tt0 48.7 52.22 14.33 Favored 'General case' 0 CA--C 1.535 0.37 0 C-N-CA 125.222 1.409 . . . . 10.0 111.296 178.828 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 57.6 p-10 -89.13 -10.34 47.61 Favored 'General case' 0 CA--C 1.535 0.368 0 C-N-CA 124.133 0.973 . . . . 10.0 110.049 174.243 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 16.9 m 67.0 27.4 8.79 Favored 'General case' 0 C--N 1.341 0.227 0 C-N-CA 124.355 1.062 . . . . 10.0 111.708 -174.773 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 26.0 mt-10 -131.85 117.76 18.95 Favored 'General case' 0 N--CA 1.445 -0.689 0 C-N-CA 126.08 1.752 . . . . 10.0 106.96 165.177 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 2.2 mm? -84.31 92.76 8.07 Favored 'General case' 0 N--CA 1.447 -0.591 0 N-CA-C 105.936 -1.876 . . . . 10.0 105.936 163.897 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -52.51 161.97 0.62 Allowed 'General case' 0 N--CA 1.468 0.443 0 N-CA-C 108.95 -0.759 . . . . 10.0 108.95 169.279 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 73' ' ' PHE . . . . . . . . . . . . . 5.5 t80 -38.15 -58.44 0.97 Allowed 'General case' 0 CA--C 1.536 0.428 0 C-N-CA 124.432 1.093 . . . . 10.0 111.97 179.326 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 74' ' ' ASN . . . . . . . . . . . . . 4.6 t30 -68.1 -31.52 71.19 Favored 'General case' 0 CA--C 1.537 0.451 0 N-CA-C 112.607 0.595 . . . . 10.0 112.607 -176.673 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 49.5 mt-10 -70.42 -54.08 13.85 Favored 'General case' 0 N--CA 1.456 -0.144 0 N-CA-C 108.882 -0.785 . . . . 10.0 108.882 177.866 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 76' ' ' TYR . . . . . . . . . . . . . 23.2 t80 -48.48 -51.35 27.56 Favored 'General case' 0 CA--C 1.52 -0.208 0 C-N-CA 124.258 1.023 . . . . 10.0 109.713 174.315 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 77' ' ' TRP . . . . . 0.644 ' CZ2' ' CZ2' ' B' ' 77' ' ' TRP . 4.9 t-105 -43.1 -37.81 2.14 Favored 'General case' 0 N--CA 1.448 -0.56 0 C-N-CA 124.271 1.028 . . . . 10.0 111.387 -179.776 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 5.4 mtp-105 -39.95 -49.78 2.48 Favored 'General case' 0 N--CA 1.47 0.532 0 CA-C-N 119.848 1.203 . . . . 10.0 112.369 174.381 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 30.2 tp -46.8 -45.06 19.76 Favored 'General case' 0 N--CA 1.451 -0.391 0 C-N-CA 123.425 0.69 . . . . 10.0 110.624 179.615 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 80' ' ' ILE . . . . . . . . . . . . . 69.7 mt -60.47 -25.59 34.85 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.278 0 C-N-CA 123.142 0.577 . . . . 10.0 109.711 -174.337 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 81' ' ' GLY . . . . . 0.542 ' CA ' ' CE2' ' B' ' 77' ' ' TRP . . . -74.24 -43.45 32.05 Favored Glycine 0 CA--C 1.494 -1.236 0 N-CA-C 109.789 -1.325 . . . . 10.0 109.789 178.496 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 2.5 mm-40 -69.0 -34.69 75.69 Favored 'General case' 0 N--CA 1.434 -1.253 0 N-CA-C 106.537 -1.653 . . . . 10.0 106.537 -177.423 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 83' ' ' LEU . . . . . . . . . . . . . 5.5 mt -62.92 -60.38 3.55 Favored 'General case' 0 CA--C 1.538 0.497 0 C-N-CA 124.029 0.931 . . . . 10.0 111.015 171.579 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -58.75 -26.56 64.09 Favored 'General case' 0 CA--C 1.53 0.209 0 C-N-CA 125.142 1.377 . . . . 10.0 111.563 -177.946 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 85' ' ' LYS . . . . . . . . . . . . . 35.9 ttmt -75.1 -62.18 1.64 Allowed 'General case' 0 N--CA 1.443 -0.816 0 N-CA-C 108.148 -1.056 . . . . 10.0 108.148 171.149 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 21.3 mm-40 -44.28 -48.93 9.54 Favored 'General case' 0 N--CA 1.465 0.315 0 C-N-CA 125.705 1.602 . . . . 10.0 112.596 -178.126 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 87' ' ' ILE . . . . . . . . . . . . . 6.3 tt -51.62 -33.32 14.87 Favored 'Isoleucine or valine' 0 CA--C 1.543 0.684 0 N-CA-C 113.648 0.981 . . . . 10.0 113.648 -178.979 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 88' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -89.45 -53.43 4.54 Favored 'General case' 0 CA--C 1.528 0.133 0 C-N-CA 124.042 0.937 . . . . 10.0 109.354 172.907 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 29.4 tttm -64.43 -25.1 67.86 Favored 'General case' 0 N--CA 1.447 -0.624 0 C-N-CA 127.171 2.188 . . . . 10.0 112.532 -166.83 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 39.4 tttp -34.17 -66.9 0.15 Allowed 'General case' 0 CA--C 1.535 0.377 0 CA-C-N 120.251 1.387 . . . . 10.0 113.042 -117.486 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 91' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -132.5 46.91 2.57 Favored 'General case' 0 CA--C 1.548 0.874 0 CA-C-N 120.276 1.398 . . . . 10.0 109.193 178.079 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 92' ' ' ASP . . . . . . . . . . . . . 86.1 m-20 -58.9 73.33 0.01 OUTLIER 'General case' 0 N--CA 1.469 0.513 0 C-N-CA 129.76 3.224 . . . . 10.0 109.682 177.426 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 93' ' ' LEU . . . . . . . . . . . . . 23.1 tp -175.94 -51.73 0.01 OUTLIER 'General case' 0 N--CA 1.441 -0.925 0 C-N-CA 127.216 2.206 . . . . 10.0 105.793 -168.82 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 74.1 mmtt -118.56 -43.26 2.7 Favored 'General case' 0 CA--C 1.533 0.322 0 C-N-CA 124.127 0.971 . . . . 10.0 111.683 172.9 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 95' ' ' ILE . . . . . 0.403 ' HA ' ' CB ' ' A' ' 96' ' ' ARG . 21.4 mt -139.54 111.0 4.85 Favored 'Isoleucine or valine' 0 CA--C 1.537 0.458 0 C-N-CA 123.853 0.861 . . . . 10.0 109.669 -168.425 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 96' ' ' ARG . . . . . 0.403 ' CB ' ' HA ' ' A' ' 95' ' ' ILE . 5.0 ttm-85 -178.59 -46.5 0.01 OUTLIER 'General case' 0 CA--C 1.541 0.607 1 C-N-CA 133.052 4.541 . . . . 10.0 110.975 -9.327 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 97' ' ' LYS . . . . . 0.458 ' CB ' ' HA ' ' A' ' 98' ' ' LYS 2.247 8.5 mttp 153.92 129.92 0.0 OUTLIER 'General case' 0 CA--C 1.552 1.033 1 C-N-CA 133.418 4.687 . . . . 10.0 106.21 5.096 . . . . . . . . 4 3 . 1 . 001 nuclear nobuild full ' A' A ' 98' ' ' LYS . . . . . 0.458 ' HA ' ' CB ' ' A' ' 97' ' ' LYS 2.406 7.1 ptpt . . . . . 0 C--O 1.251 1.133 2 CA-C-N 127.338 4.608 . . . . 10.0 108.523 11.182 . . . . . . . . 3 2 . 1 . 001 nuclear nobuild full ' B' B ' 1' ' ' MET . . . . . . . . . . . . . 78.7 mmm . . . . . 0 N--CA 1.466 0.337 0 CA-C-O 118.805 -0.617 . . . . 10.0 109.551 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' B' B ' 2' ' ' ALA . . . . . . . . . . . . . . . -171.92 119.48 0.43 Allowed 'General case' 0 CA--C 1.534 0.361 0 CA-C-O 118.835 -0.602 . . . . 10.0 112.348 176.615 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 3' ' ' ALA . . . . . . . . . . . . . . . 28.07 100.19 0.0 OUTLIER 'General case' 0 CA--C 1.546 0.794 0 N-CA-C 120.114 3.376 . . . . 10.0 120.114 143.103 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 4' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -83.27 -173.51 0.44 Allowed Pre-proline 0 CA--C 1.555 1.169 0 N-CA-C 107.797 -1.186 . . . . 10.0 107.797 142.349 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 5' ' ' PRO . . . . . . . . . . . . . 49.2 Cg_endo -70.06 166.14 28.94 Favored 'Trans proline' 0 C--N 1.35 0.653 0 CA-C-N 122.162 1.808 . . . . 10.0 115.059 -156.497 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 6' ' ' LEU . . . . . . . . . . . . . 46.1 mt -139.33 141.67 37.67 Favored 'General case' 0 CA--C 1.535 0.368 0 C-N-CA 124.908 1.283 . . . . 10.0 109.948 -154.183 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 7' ' ' THR . . . . . 0.588 HG22 ' CD ' ' B' ' 10' ' ' GLU . 6.8 t -81.55 -175.89 5.76 Favored 'General case' 0 CA--C 1.537 0.475 0 C-N-CA 124.143 0.977 . . . . 10.0 110.563 163.905 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 8' ' ' GLU . . . . . . . . . . . . . 44.0 tt0 -49.92 -63.03 1.24 Allowed 'General case' 0 CA--C 1.538 0.51 0 C-N-CA 125.574 1.55 . . . . 10.0 113.233 -173.782 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 9' ' ' LEU . . . . . . . . . . . . . 22.1 mt -61.58 -39.91 92.86 Favored 'General case' 0 N--CA 1.456 -0.16 0 O-C-N 121.599 -0.688 . . . . 10.0 110.117 -178.667 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 10' ' ' GLU . . . . . 0.588 ' CD ' HG22 ' B' ' 7' ' ' THR . 95.6 mt-10 -57.69 -42.53 83.88 Favored 'General case' 0 CA--C 1.549 0.93 0 C-N-CA 123.879 0.872 . . . . 10.0 110.668 176.569 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 11' ' ' GLU . . . . . . . . . . . . . 4.2 mt-10 -59.95 -51.44 69.69 Favored 'General case' 0 C--N 1.341 0.221 0 O-C-N 120.914 -1.116 . . . . 10.0 110.038 173.956 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 12' ' ' SER . . . . . . . . . . . . . 3.0 p -71.9 -23.09 61.42 Favored 'General case' 0 CA--C 1.535 0.377 0 N-CA-C 112.798 0.666 . . . . 10.0 112.798 -171.218 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 13' ' ' ILE . . . . . . . . . . . . 0.251 2.8 pp -76.37 -33.73 23.91 Favored 'Isoleucine or valine' 0 CA--C 1.536 0.429 0 CA-C-N 119.45 1.023 . . . . 10.0 110.541 164.798 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 14' ' ' GLU . . . . . . . . . . . . . 2.3 tm-20 -59.91 -54.22 48.68 Favored 'General case' 0 CA--C 1.531 0.248 0 CA-C-N 119.503 1.047 . . . . 10.0 110.604 174.018 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 15' ' ' THR . . . . . . . . . . . . . 4.8 t -50.5 -38.79 46.19 Favored 'General case' 0 CA--C 1.542 0.666 0 CA-C-O 121.285 0.564 . . . . 10.0 112.051 -169.003 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 16' ' ' VAL . . . . . . . . . . . . . 34.9 m -73.98 -36.91 46.27 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.388 0 O-C-N 121.209 -0.932 . . . . 10.0 111.63 176.851 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 17' ' ' VAL . . . . . . . . . . . . . 75.6 t -61.18 -49.63 83.83 Favored 'Isoleucine or valine' 0 CA--C 1.53 0.177 0 CA-C-N 118.531 0.605 . . . . 10.0 109.957 174.343 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 18' ' ' THR . . . . . . . . . . . . . 9.0 t -59.9 -41.7 92.22 Favored 'General case' 0 CA--C 1.539 0.551 0 O-C-N 121.061 -1.025 . . . . 10.0 110.922 176.886 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 19' ' ' THR . . . . . . . . . . . . . 28.0 m -56.8 -52.56 64.57 Favored 'General case' 0 CA--C 1.538 0.486 0 CA-C-N 119.445 1.02 . . . . 10.0 110.406 175.211 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 20' ' ' PHE . . . . . . . . . . . . . 1.0 OUTLIER -44.56 -58.29 3.1 Favored 'General case' 0 CA--C 1.529 0.16 0 C-N-CA 124.291 1.036 . . . . 10.0 110.118 171.806 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 21' ' ' PHE . . . . . . . . . . . . . 9.4 t80 -63.02 -50.88 68.96 Favored 'General case' 0 CA--C 1.531 0.245 0 C-N-CA 124.188 0.995 . . . . 10.0 110.938 -170.071 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 22' ' ' THR . . . . . . . . . . . . . 27.0 p -56.74 -40.61 76.06 Favored 'General case' 0 CA--C 1.529 0.16 0 C-N-CA 123.462 0.705 . . . . 10.0 111.184 -178.338 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 23' ' ' PHE . . . . . . . . . . . . . 18.2 m-85 -69.56 -53.71 17.61 Favored 'General case' 0 C--O 1.222 -0.372 0 CA-C-N 118.513 0.597 . . . . 10.0 110.581 171.533 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 24' ' ' ALA . . . . . . . . . . . . . . . -60.0 -20.31 57.06 Favored 'General case' 0 N--CA 1.45 -0.449 0 C-N-CA 127.048 2.139 . . . . 10.0 112.708 -168.34 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 25' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -55.93 -28.56 57.46 Favored 'General case' 0 N--CA 1.453 -0.319 0 CA-C-O 118.257 -0.878 . . . . 10.0 111.957 171.413 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 26' ' ' GLN . . . . . 0.486 ' HB2' ' HG2' ' B' ' 37' ' ' GLU . 0.7 OUTLIER -51.87 -64.68 0.74 Allowed 'General case' 0 CA--C 1.534 0.35 0 N-CA-C 115.22 1.563 . . . . 10.0 115.22 -154.845 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' B' B ' 27' ' ' GLU . . . . . . . . . . . . . 42.8 mt-10 -88.46 -78.33 0.34 Allowed 'General case' 0 CA--C 1.533 0.305 0 C-N-CA 118.907 -1.117 . . . . 10.0 112.758 -163.712 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 28' ' ' GLY . . . . . . . . . . . . . . . -93.82 160.38 24.22 Favored Glycine 0 N--CA 1.446 -0.654 0 C-N-CA 127.965 2.698 . . . . 10.0 110.088 151.03 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 29' ' ' ARG . . . . . . . . . . . . . 11.9 ttt180 51.98 101.53 0.01 OUTLIER 'General case' 0 C--O 1.239 0.501 0 N-CA-C 114.817 1.414 . . . . 10.0 114.817 137.15 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 30' ' ' LYS . . . . . . . . . . . . . 50.6 pttt -59.39 -42.95 92.87 Favored 'General case' 0 N--CA 1.451 -0.414 0 CA-C-N 115.43 -0.805 . . . . 10.0 112.329 176.024 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 31' ' ' ASP . . . . . . . . . . . . . 1.8 m-20 -63.69 -12.4 33.93 Favored 'General case' 0 CA--C 1.541 0.618 0 N-CA-C 113.523 0.934 . . . . 10.0 113.523 -173.983 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 32' ' ' SER . . . . . . . . . . . . . 52.2 p -130.45 138.5 50.33 Favored 'General case' 0 C--O 1.241 0.617 0 CA-C-N 119.509 1.05 . . . . 10.0 111.364 177.576 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 33' ' ' LEU . . . . . . . . . . . . . 2.5 mm? -72.14 135.33 46.15 Favored 'General case' 0 N--CA 1.453 -0.287 0 N-CA-C 108.599 -0.889 . . . . 10.0 108.599 169.021 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 34' ' ' SER . . . . . . . . . . . . . 3.5 m -118.67 162.01 19.14 Favored 'General case' 0 CA--C 1.549 0.91 0 C-N-CA 127.208 2.203 . . . . 10.0 107.201 -179.94 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 35' ' ' VAL . . . . . . . . . . . . . 9.9 p -99.38 49.48 0.12 Allowed 'Isoleucine or valine' 0 N--CA 1.469 0.484 0 O-C-N 120.164 -1.585 . . . . 10.0 112.482 -167.713 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 36' ' ' ASN . . . . . . . . . . . . . 1.8 t30 -156.05 55.12 0.58 Allowed 'General case' 0 N--CA 1.445 -0.704 0 C-N-CA 127.642 2.377 . . . . 10.0 104.804 144.103 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 37' ' ' GLU . . . . . 0.486 ' HG2' ' HB2' ' B' ' 26' ' ' GLN . 73.9 mt-10 -141.74 -53.54 0.44 Allowed 'General case' 0 N--CA 1.451 -0.421 0 C-N-CA 130.76 3.624 . . . . 10.0 103.585 165.863 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 38' ' ' PHE . . . . . . . . . . . . . 0.4 OUTLIER -58.39 -58.7 7.36 Favored 'General case' 0 N--CA 1.448 -0.567 0 CA-C-N 115.53 -0.759 . . . . 10.0 110.138 179.542 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 39' ' ' LYS . . . . . . . . . . . . . 30.3 tttt -60.82 -36.63 79.58 Favored 'General case' 0 CA--C 1.533 0.318 0 C-N-CA 119.909 -0.716 . . . . 10.0 110.276 -176.325 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 40' ' ' GLU . . . . . . . . . . . . . 72.7 mt-10 -57.66 -40.17 78.73 Favored 'General case' 0 CA--C 1.533 0.321 0 N-CA-C 112.161 0.43 . . . . 10.0 112.161 170.216 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 41' ' ' LEU . . . . . . . . . . . . . 16.5 tp -69.47 -42.36 74.98 Favored 'General case' 0 N--CA 1.456 -0.163 0 N-CA-C 108.621 -0.881 . . . . 10.0 108.621 -175.35 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 42' ' ' VAL . . . . . . . . . . . . . 3.7 m -72.41 -43.6 63.75 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.302 0 C-N-CA 119.959 -0.697 . . . . 10.0 110.547 -178.908 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 43' ' ' THR . . . . . . . . . . . . . 74.8 m -57.26 -53.62 56.06 Favored 'General case' 0 N--CA 1.452 -0.336 0 C-N-CA 123.367 0.667 . . . . 10.0 110.721 175.406 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 44' ' ' GLN . . . . . . . . . . . . . 9.0 tt0 -81.33 -61.07 2.05 Favored 'General case' 0 CA--C 1.532 0.271 0 C-N-CA 123.659 0.784 . . . . 10.0 111.16 -172.152 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 45' ' ' GLN . . . . . . . . . . . . . 1.0 OUTLIER -83.49 -49.82 8.9 Favored 'General case' 0 CA--C 1.535 0.367 0 C-N-CA 124.167 0.987 . . . . 10.0 113.034 -166.09 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 46' ' ' LEU . . . . . . . . . . . . . 2.8 mm? -81.64 -15.62 0.23 Allowed Pre-proline 0 CA--C 1.543 0.692 0 N-CA-C 118.651 2.834 . . . . 10.0 118.651 -174.843 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 47' ' ' PRO . . . . . . . . . . . . . 35.7 Cg_endo -51.1 -44.56 41.77 Favored 'Trans proline' 0 C--N 1.347 0.451 0 C-N-CA 123.429 2.753 . . . . 10.0 114.924 -144.32 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 48' ' ' HIS . . . . . . . . . . . . . 49.1 t-80 -60.11 -41.96 93.71 Favored 'General case' 0 CA--C 1.534 0.349 0 O-C-N 122.169 -0.332 . . . . 10.0 111.474 178.285 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 49' ' ' LEU . . . . . . . . . . . . . 29.1 tp -79.09 -61.63 1.95 Allowed 'General case' 0 N--CA 1.45 -0.443 0 N-CA-C 108.752 -0.833 . . . . 10.0 108.752 -173.755 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 50' ' ' LEU . . . . . 0.419 HD23 ' HA ' ' B' ' 50' ' ' LEU . 41.7 mt -82.34 76.02 9.23 Favored 'General case' 0 N--CA 1.456 -0.133 0 CA-C-O 121.978 0.894 . . . . 10.0 108.747 169.973 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 51' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -67.1 60.33 0.05 OUTLIER 'General case' 0 CA--C 1.53 0.183 0 C-N-CA 128.065 2.546 . . . . 10.0 112.448 166.465 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 52' ' ' ASP . . . . . . . . . . . . . 31.8 t0 -177.77 55.49 0.01 OUTLIER 'General case' 0 C--N 1.317 -0.824 0 C-N-CA 129.932 3.293 . . . . 10.0 106.882 169.124 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 53' ' ' VAL . . . . . . . . . . . . . 18.5 m -58.87 -34.09 51.44 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.368 0 CA-C-N 114.054 -1.43 . . . . 10.0 110.021 164.943 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 54' ' ' GLY . . . . . . . . . . . . . . . -55.83 -65.6 3.44 Favored Glycine 0 C--N 1.338 0.689 0 C-N-CA 124.325 0.964 . . . . 10.0 111.571 -176.168 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 55' ' ' SER . . . . . . . . . . . . . 22.7 t -89.88 39.23 0.95 Allowed 'General case' 0 C--O 1.234 0.264 0 CA-C-N 117.384 0.592 . . . . 10.0 111.011 -174.02 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 56' ' ' LEU . . . . . . . . . . . . . 1.8 tm? -42.45 -48.13 5.15 Favored 'General case' 0 N--CA 1.449 -0.475 0 C-N-CA 125.263 1.425 . . . . 10.0 109.419 169.72 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 57' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -43.38 -41.33 4.1 Favored 'General case' 0 CA--C 1.541 0.597 0 C-N-CA 127.172 2.189 . . . . 10.0 112.465 -176.962 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 58' ' ' GLU . . . . . . . . . . . . . 37.2 tt0 -63.65 -49.67 72.32 Favored 'General case' 0 CA--C 1.534 0.336 0 O-C-N 121.763 -0.586 . . . . 10.0 110.421 175.207 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 59' ' ' LYS . . . . . 0.407 ' H ' ' HE3' ' B' ' 59' ' ' LYS . 0.0 OUTLIER -59.2 -47.14 86.43 Favored 'General case' 0 N--CA 1.453 -0.322 0 N-CA-C 107.84 -1.17 . . . . 10.0 107.84 178.962 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' B' B ' 60' ' ' MET . . . . . . . . . . . . . 2.0 tmt? -51.63 -54.55 26.7 Favored 'General case' 0 N--CA 1.455 -0.179 0 C-N-CA 124.174 0.99 . . . . 10.0 110.21 176.586 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 61' ' ' LYS . . . . . . . . . . . . . 22.5 ttmm -57.3 -43.46 83.25 Favored 'General case' 0 CA--C 1.535 0.381 0 CA-C-N 117.76 0.255 . . . . 10.0 110.878 179.233 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 62' ' ' SER . . . . . . . . . . . . . 18.5 m -63.39 -38.2 90.22 Favored 'General case' 0 CA--C 1.536 0.415 0 C-N-CA 123.055 0.542 . . . . 10.0 111.846 178.262 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 63' ' ' LEU . . . . . . . . . . . . . 34.2 mt -70.5 -57.53 4.68 Favored 'General case' 0 N--CA 1.454 -0.238 0 C-N-CA 125.202 1.401 . . . . 10.0 109.953 -178.548 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 64' ' ' ASP . . . . . . . . . . . . . 7.4 t70 -58.13 -13.04 4.08 Favored 'General case' 0 CA--C 1.53 0.181 0 N-CA-C 116.593 2.072 . . . . 10.0 116.593 -160.93 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 65' ' ' VAL . . . . . . . . . . . . . 19.8 m -35.71 -21.51 0.01 OUTLIER 'Isoleucine or valine' 0 N--CA 1.468 0.445 0 C-N-CA 130.371 3.468 . . . . 10.0 119.194 -129.904 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 66' ' ' ASN . . . . . . . . . . . . . 8.6 p-10 -58.38 -25.03 61.59 Favored 'General case' 0 CA--C 1.536 0.43 0 CA-C-N 120.543 1.52 . . . . 10.0 110.369 163.677 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 67' ' ' GLN . . . . . . . . . . . . . 6.6 tt0 67.66 19.7 9.72 Favored 'General case' 0 CA--C 1.534 0.363 0 C-N-CA 125.768 1.627 . . . . 10.0 111.595 173.115 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 68' ' ' ASP . . . . . . . . . . . . . 53.6 p30 -61.31 -18.2 57.39 Favored 'General case' 0 CA--C 1.533 0.314 0 O-C-N 122.077 -0.389 . . . . 10.0 110.824 167.471 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 69' ' ' SER . . . . . . . . . . . . . 14.9 m 69.22 10.45 7.83 Favored 'General case' 0 N--CA 1.452 -0.327 0 C-N-CA 125.137 1.375 . . . . 10.0 112.668 -179.468 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 70' ' ' GLU . . . . . . . . . . . . . 21.6 mt-10 -88.91 111.78 22.5 Favored 'General case' 0 N--CA 1.448 -0.57 0 N-CA-C 105.09 -2.189 . . . . 10.0 105.09 153.548 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 71' ' ' LEU . . . . . . . . . . . . . 3.3 mm? -72.38 101.77 2.99 Favored 'General case' 0 N--CA 1.449 -0.496 0 N-CA-C 105.394 -2.076 . . . . 10.0 105.394 172.464 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 72' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -81.82 172.3 13.51 Favored 'General case' 0 C--O 1.236 0.374 0 C-N-CA 123.838 0.855 . . . . 10.0 110.006 -157.706 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 73' ' ' PHE . . . . . . . . . . . . . 0.4 OUTLIER -80.49 73.84 7.39 Favored 'General case' 0 CA--C 1.533 0.304 0 N-CA-C 107.118 -1.438 . . . . 10.0 107.118 -174.275 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 74' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER 98.95 49.42 0.0 OUTLIER 'General case' 0 CA--C 1.535 0.403 1 C-N-CA 133.581 4.752 . . . . 10.0 108.242 -171.473 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' B' B ' 75' ' ' GLU . . . . . . . . . . . . . 67.3 mt-10 -90.14 -60.5 1.91 Allowed 'General case' 0 CA--C 1.533 0.291 0 O-C-N 120.273 -1.517 . . . . 10.0 108.353 112.616 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 76' ' ' TYR . . . . . . . . . . . . . 13.2 t80 -39.57 -52.38 2.18 Favored 'General case' 0 C--N 1.346 0.424 0 C-N-CA 126.703 2.001 . . . . 10.0 111.872 -170.928 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 77' ' ' TRP . . . . . 0.644 ' CZ2' ' CZ2' ' A' ' 77' ' ' TRP . 53.8 t90 -43.22 -39.73 3.08 Favored 'General case' 0 N--CA 1.446 -0.672 0 C-N-CA 124.852 1.261 . . . . 10.0 112.457 -172.106 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 78' ' ' ARG . . . . . . . . . . . . . 96.5 mtt180 -38.97 -44.56 1.09 Allowed 'General case' 0 CA--C 1.534 0.333 0 C-N-CA 124.248 1.019 . . . . 10.0 111.91 174.941 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 79' ' ' LEU . . . . . . . . . . . . . 9.9 tp -49.12 -50.33 37.84 Favored 'General case' 0 N--CA 1.452 -0.352 0 C-N-CA 123.898 0.879 . . . . 10.0 111.534 -179.236 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 80' ' ' ILE . . . . . . . . . . . . . 94.6 mt -58.34 -30.08 39.46 Favored 'Isoleucine or valine' 0 CA--C 1.54 0.585 0 N-CA-C 108.303 -0.999 . . . . 10.0 108.303 -179.378 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 81' ' ' GLY . . . . . 0.547 ' CA ' ' CZ2' ' A' ' 77' ' ' TRP . . . -67.35 -44.44 84.98 Favored Glycine 0 CA--C 1.499 -0.961 0 C-N-CA 126.962 2.22 . . . . 10.0 112.617 176.837 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 82' ' ' GLU . . . . . . . . . . . . . 3.2 mm-40 -69.01 -48.1 63.84 Favored 'General case' 0 N--CA 1.431 -1.378 0 N-CA-C 106.753 -1.573 . . . . 10.0 106.753 -177.76 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 83' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -55.77 -45.62 78.1 Favored 'General case' 0 CA--C 1.539 0.52 0 CA-C-N 120.055 1.298 . . . . 10.0 112.223 169.879 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 84' ' ' ALA . . . . . . . . . . . . . . . -54.16 -50.29 67.33 Favored 'General case' 0 N--CA 1.456 -0.165 0 O-C-N 121.99 -0.444 . . . . 10.0 111.343 -179.192 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 85' ' ' LYS . . . . . . . . . . . . . 1.3 ptpt -70.32 -40.6 74.09 Favored 'General case' 0 C--O 1.22 -0.459 0 CA-C-O 117.272 -1.347 . . . . 10.0 110.685 175.852 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 86' ' ' GLU . . . . . . . . . . . . . 4.1 mm-40 -44.23 -45.77 8.66 Favored 'General case' 0 N--CA 1.471 0.617 0 C-N-CA 125.806 1.642 . . . . 10.0 111.69 -174.895 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 87' ' ' ILE . . . . . . . . . . . . . 5.1 tt -51.07 -39.82 20.37 Favored 'Isoleucine or valine' 0 CA--C 1.543 0.688 0 CA-C-O 120.818 0.342 . . . . 10.0 111.509 179.215 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 88' ' ' ARG . . . . . . . . . . . . . 22.5 ttt85 -82.61 -38.18 23.94 Favored 'General case' 0 CA--C 1.539 0.52 0 C-N-CA 126.076 1.751 . . . . 10.0 111.739 171.803 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 89' ' ' LYS . . . . . . . . . . . . . 68.9 tttt -116.97 79.09 1.28 Allowed 'General case' 0 N--CA 1.45 -0.458 0 C-N-CA 125.361 1.464 . . . . 10.0 111.48 -161.184 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 90' ' ' LYS . . . . . . . . . . . . . 5.8 ttpt -37.49 -54.77 1.12 Allowed 'General case' 0 CA--C 1.542 0.646 0 C-N-CA 127.434 2.293 . . . . 10.0 113.089 -179.756 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 91' ' ' LYS . . . . . . . . . . . . . 60.8 tttm -154.23 -2.57 0.18 Allowed 'General case' 0 N--CA 1.472 0.647 0 CA-C-N 119.288 0.949 . . . . 10.0 113.329 179.205 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 92' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -92.94 48.95 1.38 Allowed 'General case' 0 C--N 1.329 -0.284 0 O-C-N 120.874 -1.141 . . . . 10.0 110.711 -145.527 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 93' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -93.31 -53.73 3.98 Favored 'General case' 0 N--CA 1.461 0.119 0 C-N-CA 123.294 0.638 . . . . 10.0 112.084 -178.192 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 94' ' ' LYS . . . . . . . . . . . . 2.454 1.4 mtpm? 46.96 -104.6 0.1 Allowed 'General case' 0 CA--C 1.54 0.562 0 C-N-CA 124.066 0.946 . . . . 10.0 111.889 -165.195 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 95' ' ' ILE . . . . . . . . . . . . 0.266 13.4 pt 54.59 151.19 0.0 OUTLIER 'Isoleucine or valine' 0 CA--C 1.54 0.573 0 C-N-CA 126.695 1.998 . . . . 10.0 114.662 -166.042 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 96' ' ' ARG . . . . . . . . . . . . . 2.3 tmm_? -167.16 127.15 1.47 Allowed 'General case' 0 N--CA 1.456 -0.16 0 C-N-CA 127.064 2.146 . . . . 10.0 105.36 176.432 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 97' ' ' LYS . . . . . . . . . . . . . 6.8 tmtt? -175.32 125.57 0.25 Allowed 'General case' 0 CA--C 1.533 0.312 0 N-CA-C 106.224 -1.769 . . . . 10.0 106.224 -162.529 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 98' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--O 1.249 1.062 0 N-CA-C 106.429 -1.693 . . . . 10.0 106.429 166.33 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 197' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 198' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' B' B ' 199' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' B' B ' 200' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 stop_ save_