data_1c3z_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 1c3z _Structure_validation_residue.Date_analyzed 2016-10-06 loop_ _Residue_analysis_software.Software_ID _Residue_analysis_software.Software_label _Residue_analysis_software.Method_ID _Residue_analysis_software.Method_label _Residue_analysis_software.Entry_ID _Residue_analysis_software.Structure_validation_oneline_list_ID 1 MolProbity . . ? 1 2 CYRANGE . . ? 1 stop_ loop_ _Residue_analysis.ID _Residue_analysis.PDB_model_num _Residue_analysis.Hydrogen_positions _Residue_analysis.MolProbity_flips _Residue_analysis.Cyrange_core_flag _Residue_analysis.Two_letter_chain_ID _Residue_analysis.PDB_strand_ID _Residue_analysis.PDB_residue_no _Residue_analysis.PDB_ins_code _Residue_analysis.PDB_residue_name _Residue_analysis.Assembly_ID _Residue_analysis.Entity_assembly_ID _Residue_analysis.Entity_ID _Residue_analysis.Comp_ID _Residue_analysis.Comp_index_ID _Residue_analysis.Clash_value _Residue_analysis.Clash_source_PDB_atom_name _Residue_analysis.Clash_destination_PDB_atom_name _Residue_analysis.Clash_destination_PDB_strand_ID _Residue_analysis.Clash_destination_PDB_residue_no _Residue_analysis.Clash_destination_PDB_ins_code _Residue_analysis.Clash_destination_PDB_residue_name _Residue_analysis.Cbeta_deviation_value _Residue_analysis.Rotamer_score _Residue_analysis.Rotamer_name _Residue_analysis.Ramachandran_phi _Residue_analysis.Ramachandran_psi _Residue_analysis.Ramachandran_score _Residue_analysis.Ramachandran_evaluation _Residue_analysis.Ramachandran_type _Residue_analysis.Bond_outlier_count _Residue_analysis.Worst_bond _Residue_analysis.Worst_bond_value _Residue_analysis.Worst_bond_sigma _Residue_analysis.Angle_outlier_count _Residue_analysis.Worst_angle _Residue_analysis.Worst_angle_value _Residue_analysis.Worst_angle_sigma _Residue_analysis.RNA_phosphate_perpendicular_outlier _Residue_analysis.RNA_suitness_score _Residue_analysis.RNA_suite_conformer _Residue_analysis.RNA_suite_triage _Residue_analysis.Max_b_factor _Residue_analysis.Tau_angle _Residue_analysis.Omega_dihedral _Residue_analysis.Disulfide_chi1 _Residue_analysis.Disulfide_chi2 _Residue_analysis.Disulfide_chi3 _Residue_analysis.Disulfide_ss_angle _Residue_analysis.Disulfide_ss _Residue_analysis.Disulfide_ss_angle_prime _Residue_analysis.Disulfide_chi2prime _Residue_analysis.Disulfide_chi1prime _Residue_analysis.Outlier_count_separate_geometry _Residue_analysis.Outlier_count _Residue_analysis.Entry_ID _Residue_analysis.Structure_validation_residue_list_ID . 001 nuclear orig full ' A' A ' 1' ' ' GLU . . . . . . . . . . . . . 1.5 tp10 . . . . . 0 N--CA 1.489 1.522 0 N-CA-C 109.163 -0.68 . . . . 0.0 109.163 . . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 6.2 p 48.35 95.27 0.04 OUTLIER Pre-proline 0 N--CA 1.47 0.539 0 CA-C-N 115.83 -0.623 . . . . 0.0 111.374 179.991 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 3' ' ' PRO . . . . . . . . . . . . . 47.8 Cg_endo -71.27 -36.53 6.96 Favored 'Trans proline' 0 N--CA 1.471 0.182 0 C-N-CA 122.211 1.94 . . . . 0.0 112.327 179.933 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 38.0 ttt180 68.52 -68.3 0.18 Allowed 'General case' 0 N--CA 1.467 0.423 0 CA-C-N 115.697 -0.683 . . . . 0.0 110.8 179.932 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 10.8 pt-20 -59.26 -42.99 92.45 Favored 'General case' 0 C--N 1.332 -0.196 0 CA-C-O 121.139 0.495 . . . . 0.0 110.659 -179.922 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 9.9 tptp 60.17 64.51 1.23 Allowed 'General case' 0 C--O 1.233 0.21 0 CA-C-N 115.766 -0.652 . . . . 0.0 110.565 179.904 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 9.6 tp -66.33 108.51 2.36 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 115.745 -0.661 . . . . 0.0 110.261 179.928 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 34.7 mttt -87.68 -59.19 2.32 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 115.887 -0.597 . . . . 0.0 110.579 -179.864 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 8.5 mt-30 60.96 104.23 0.02 OUTLIER 'General case' 0 C--N 1.331 -0.21 0 CA-C-N 115.853 -0.612 . . . . 0.0 110.362 -179.883 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 10' ' ' HIS . . . . . . . . . . . . . 6.9 m170 -60.74 -30.44 70.0 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 115.842 -0.617 . . . . 0.0 110.671 -179.883 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 2.6 m -123.95 51.73 1.52 Allowed 'General case' 0 C--O 1.233 0.203 0 CA-C-O 121.368 0.604 . . . . 0.0 110.433 -179.944 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 8.9 p-10 -60.1 -42.58 94.98 Favored 'General case' 0 N--CA 1.464 0.229 0 CA-C-N 115.766 -0.652 . . . . 0.0 110.382 179.891 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -92.29 -28.34 17.03 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 115.671 -0.695 . . . . 0.0 110.499 179.696 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 1.9 m -71.3 -16.85 62.48 Favored 'General case' 0 CA--C 1.532 0.283 0 CA-C-N 116.022 -0.535 . . . . 0.0 111.348 -179.903 -89.323 -151.528 -79.071 104.073 2.017 103.624 -111.864 -51.227 1 1 . 1 . 001 nuclear orig full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 29.0 tttt -72.14 -21.85 61.4 Favored 'General case' 0 CA--C 1.531 0.222 0 C-N-CA 120.823 -0.351 . . . . 0.0 111.078 179.84 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -54.48 -25.0 22.72 Favored 'General case' 0 N--CA 1.466 0.365 0 CA-C-N 116.491 -0.322 . . . . 0.0 111.326 -179.788 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 20.0 tt0 -150.47 -53.93 0.15 Allowed 'General case' 0 C--N 1.332 -0.173 0 CA-C-O 121.081 0.467 . . . . 0.0 110.421 179.914 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 2.1 m -76.75 64.02 2.26 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 121.435 0.636 . . . . 0.0 110.522 -179.864 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -106.72 47.08 1.08 Allowed Glycine 0 CA--C 1.524 0.607 0 N-CA-C 110.639 -0.984 . . . . 0.0 110.639 179.965 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 11.7 p -59.04 111.1 0.49 Allowed 'Isoleucine or valine' 0 CA--C 1.532 0.254 0 CA-C-O 121.265 0.555 . . . . 0.0 110.437 -179.825 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 2.1 p -73.4 -177.74 2.73 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 115.651 -0.704 . . . . 0.0 110.419 -179.977 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 40.7 mt-10 -76.35 64.66 2.13 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 121.39 0.614 . . . . 0.0 110.325 -179.98 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 2.7 tt0 -126.99 -67.07 0.86 Allowed 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 115.721 -0.672 . . . . 0.0 110.025 179.807 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 1.3 m -72.07 -32.89 67.49 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 115.803 -0.635 . . . . 0.0 109.998 179.525 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 13.6 mt -61.68 -43.3 99.12 Favored 'General case' 0 C--N 1.331 -0.203 0 CA-C-N 115.691 -0.686 . . . . 0.0 110.302 179.835 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 29.3 t-20 -62.64 -35.77 80.67 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 115.824 -0.625 . . . . 0.0 110.32 179.849 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 53.8 mttt -61.15 -28.23 68.97 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 115.71 -0.677 . . . . 0.0 110.69 179.857 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 37.0 t -60.43 -28.09 41.46 Favored 'Isoleucine or valine' 0 CA--C 1.53 0.206 0 CA-C-N 116.081 -0.509 . . . . 0.0 110.52 179.929 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 6.6 mmm-85 -57.03 -31.29 64.99 Favored 'General case' 0 N--CA 1.464 0.225 0 CA-C-O 121.048 0.452 . . . . 0.0 110.739 -179.985 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 4.8 m-20 -105.38 156.21 18.39 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 115.902 -0.59 . . . . 0.0 110.282 179.878 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 15.6 mtm180 -75.54 66.54 1.93 Allowed 'General case' 0 C--N 1.33 -0.264 0 CA-C-O 121.417 0.627 . . . . 0.0 110.387 -179.971 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 11.1 mt-10 -110.58 -33.56 6.55 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 115.678 -0.692 . . . . 0.0 110.458 -179.934 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 6.8 mt-10 61.0 106.79 0.02 OUTLIER 'General case' 0 C--N 1.331 -0.22 0 CA-C-N 115.927 -0.578 . . . . 0.0 110.503 -179.97 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 34' ' ' VAL . . . . . . . . . . . . . 13.5 p -122.67 125.5 72.6 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.215 0 CA-C-N 115.817 -0.629 . . . . 0.0 110.187 179.933 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 2.4 m-20 -89.92 121.81 32.38 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 115.835 -0.621 . . . . 0.0 110.522 -179.968 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 2.4 m-20 -155.93 145.02 15.0 Favored Pre-proline 0 CA--C 1.532 0.263 0 CA-C-N 115.825 -0.625 . . . . 0.0 110.37 179.997 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 46.6 Cg_endo -72.07 -52.46 0.19 Allowed 'Trans proline' 0 CA--C 1.528 0.202 0 C-N-CA 122.209 1.94 . . . . 0.0 112.598 -179.876 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 47.7 mttt -57.02 -31.5 65.2 Favored 'General case' 0 N--CA 1.464 0.246 0 CA-C-N 116.004 -0.544 . . . . 0.0 110.879 -179.894 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -64.39 -60.82 2.72 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 115.928 -0.578 . . . . 0.0 110.467 -179.906 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 52.9 mttt -64.28 -37.57 87.97 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 115.799 -0.637 . . . . 0.0 110.559 -179.907 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 8.3 mm-40 -64.92 -50.4 66.64 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 115.825 -0.625 . . . . 0.0 110.867 -179.731 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 42' ' ' HIS . . . . . . . . . . . . . 17.4 t-80 -55.86 -39.72 71.89 Favored 'General case' 0 N--CA 1.465 0.29 0 CA-C-N 115.875 -0.602 . . . . 0.0 111.106 -179.574 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -55.85 -50.58 70.22 Favored 'General case' 0 N--CA 1.466 0.327 0 CA-C-N 116.081 -0.508 . . . . 0.0 111.174 -179.626 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 44' ' ' PHE . . . . . 0.437 ' CG ' ' HA ' ' A' ' 93' ' ' GLN . 28.1 t80 -58.56 -30.69 67.33 Favored 'General case' 0 N--CA 1.464 0.273 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.363 179.864 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 45' ' ' CYS . . . . . . . . . . . . . 34.9 m -65.04 -28.29 69.38 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 115.85 -0.614 . . . . 0.0 110.262 179.81 -51.227 -111.864 -79.071 103.624 2.017 104.073 -151.528 -89.323 1 1 . 1 . 001 nuclear orig full ' A' A ' 46' ' ' ILE . . . . . . . . . . . . . 4.7 mm -88.59 -34.48 7.05 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.265 0 CA-C-O 121.126 0.488 . . . . 0.0 110.164 -179.969 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 1.5 mm? -60.92 -45.74 93.47 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 115.752 -0.658 . . . . 0.0 110.564 -179.79 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 22.8 ttpt -65.05 -28.89 69.79 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 115.816 -0.629 . . . . 0.0 111.013 -179.611 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 12.3 mmm180 -87.35 -33.85 19.03 Favored 'General case' 0 C--N 1.332 -0.194 0 CA-C-O 121.029 0.442 . . . . 0.0 110.915 -179.659 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -60.03 -29.91 68.82 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 115.926 -0.579 . . . . 0.0 110.844 -179.745 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 97.17 30.55 7.35 Favored Glycine 0 CA--C 1.526 0.73 0 N-CA-C 110.83 -0.908 . . . . 0.0 110.83 -179.888 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 16.1 m-85 -101.95 -67.73 0.86 Allowed 'General case' 0 C--N 1.33 -0.244 0 CA-C-O 121.2 0.524 . . . . 0.0 110.065 179.869 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 53' ' ' ILE . . . . . . . . . . . . . 7.8 tt -89.05 149.34 4.05 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 115.641 -0.708 . . . . 0.0 110.156 179.793 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 11.1 p-10 -93.1 166.41 12.36 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 121.419 0.628 . . . . 0.0 110.894 -179.65 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -54.61 -18.73 4.83 Favored 'General case' 0 CA--C 1.534 0.337 0 CA-C-N 115.214 -0.903 . . . . 0.0 112.348 -179.714 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 1.2 t -87.71 -24.64 23.79 Favored 'General case' 0 N--CA 1.463 0.206 0 C-N-CA 120.589 -0.444 . . . . 0.0 111.386 -178.971 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . 105.01 21.34 9.05 Favored Glycine 0 CA--C 1.528 0.892 0 C-N-CA 120.734 -0.745 . . . . 0.0 111.891 179.378 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 9.9 tt0 -84.1 113.16 20.85 Favored 'General case' 0 C--N 1.332 -0.189 0 CA-C-O 121.026 0.441 . . . . 0.0 109.989 179.541 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 59' ' ' PHE . . . . . 0.417 ' CE2' ' HB3' ' A' ' 88' ' ' LYS . 12.5 p90 -65.31 137.79 57.77 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-O 121.276 0.56 . . . . 0.0 110.854 -179.489 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 60' ' ' GLN . . . . . . . . . . . . . 27.4 mt-30 -122.57 81.91 1.91 Allowed 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 115.472 -0.786 . . . . 0.0 109.767 179.728 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 61' ' ' LEU . . . . . 0.402 ' CD2' ' CB ' ' A' ' 86' ' ' ALA . 8.8 mt -72.8 -26.42 61.51 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 115.619 -0.719 . . . . 0.0 111.478 -179.127 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -59.02 -29.94 67.63 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-O 121.005 0.431 . . . . 0.0 110.782 -179.814 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 63' ' ' HIS . . . . . . . . . . . . . 6.4 m170 -89.78 -32.04 17.13 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 115.956 -0.565 . . . . 0.0 110.417 179.783 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 64' ' ' ILE . . . . . . . . . . . . . 34.3 mt -70.07 -52.58 29.35 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.23 0 CA-C-N 115.885 -0.598 . . . . 0.0 110.616 -179.934 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 9.7 ptmt -56.33 -42.92 78.46 Favored 'General case' 0 CA--C 1.533 0.29 0 CA-C-N 115.873 -0.603 . . . . 0.0 111.315 -179.168 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 21.9 m -61.45 -38.22 86.42 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 115.964 -0.562 . . . . 0.0 110.86 -179.722 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 35.2 mmtt -63.7 -54.63 32.48 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 115.979 -0.555 . . . . 0.0 111.026 -179.502 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 68' ' ' PHE . . . . . . . . . . . . . 9.1 m-85 -65.0 -27.75 69.04 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.055 -0.52 . . . . 0.0 110.893 -179.701 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 19.0 mttt -72.06 -66.26 0.67 Allowed 'General case' 0 C--N 1.331 -0.22 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.856 -179.627 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -55.45 125.04 19.21 Favored 'General case' 0 N--CA 1.465 0.305 0 CA-C-N 115.956 -0.566 . . . . 0.0 111.023 -179.604 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 71' ' ' ASN . . . . . . . . . . . . . 47.4 t30 60.88 91.56 0.06 Allowed 'General case' 0 C--N 1.331 -0.202 0 CA-C-N 115.742 -0.663 . . . . 0.0 110.41 -179.925 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 30.5 t -160.71 167.17 27.45 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 115.812 -0.631 . . . . 0.0 110.442 -179.931 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 16.8 mt-10 -78.67 -37.69 41.2 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 115.862 -0.608 . . . . 0.0 110.408 -179.993 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 74' ' ' HIS . . . . . . . . . . . . . 91.5 m-70 -148.94 62.59 6.25 Favored Pre-proline 0 CA--C 1.535 0.387 0 CA-C-N 115.86 -0.609 . . . . 0.0 110.415 -179.99 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 75' ' ' PRO . . . . . . . . . . . . . 48.6 Cg_endo -72.2 110.18 2.89 Favored 'Trans proline' 0 N--CA 1.471 0.178 0 C-N-CA 122.238 1.958 . . . . 0.0 112.204 179.893 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 10.0 pt-20 -179.94 -37.98 0.01 OUTLIER 'General case' 0 N--CA 1.463 0.177 0 CA-C-N 115.888 -0.596 . . . . 0.0 110.624 -179.866 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 16.2 mttp -90.72 -15.69 29.82 Favored 'General case' 0 CA--C 1.532 0.266 0 CA-C-N 116.003 -0.544 . . . . 0.0 111.554 -179.712 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 78' ' ' VAL . . . . . . . . . . . . . 50.4 t -60.07 -52.16 64.49 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.249 0 C-N-CA 120.732 -0.387 . . . . 0.0 110.617 -179.752 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 1.2 p30 -47.55 -47.07 28.33 Favored 'General case' 0 N--CA 1.472 0.629 0 CA-C-N 116.231 -0.441 . . . . 0.0 111.692 -179.405 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 5.3 m-20 -70.91 -36.53 72.74 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 121.172 0.51 . . . . 0.0 110.194 179.772 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 1.3 tp -68.78 -30.02 68.52 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 115.567 -0.742 . . . . 0.0 110.859 -179.841 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 82' ' ' VAL . . . . . . . . . . . . . 41.2 t -59.02 -38.38 73.52 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.272 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.632 -179.82 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -64.95 -43.45 92.65 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.1 -0.5 . . . . 0.0 111.151 -179.714 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 84' ' ' LYS . . . . . . . . . . . . . 27.8 tttt -76.8 -29.61 56.09 Favored 'General case' 0 N--CA 1.464 0.247 0 CA-C-N 115.94 -0.573 . . . . 0.0 111.548 -178.87 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 85' ' ' CYS . . . . . . . . . . . . . 70.3 m -86.79 -37.07 18.17 Favored 'General case' 0 C--N 1.33 -0.251 0 C-N-CA 120.61 -0.436 . . . . 0.0 111.001 -179.347 -58.494 -68.125 -50.803 104.011 2.018 103.558 -125.219 -172.848 1 1 . 1 . 001 nuclear orig full ' A' A ' 86' ' ' ALA . . . . . 0.402 ' CB ' ' CD2' ' A' ' 61' ' ' LEU . . . -88.1 36.39 0.77 Allowed 'General case' 0 CA--C 1.535 0.381 0 CA-C-N 116.078 -0.51 . . . . 0.0 112.016 -179.877 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 87' ' ' VAL . . . . . . . . . . . . . 27.5 m -62.6 122.34 13.2 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.169 0 CA-C-O 121.058 0.456 . . . . 0.0 110.456 179.964 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 88' ' ' LYS . . . . . 0.417 ' HB3' ' CE2' ' A' ' 59' ' ' PHE . 0.6 OUTLIER -62.81 112.67 2.64 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 115.896 -0.593 . . . . 0.0 110.3 179.874 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 17.5 mmtp -96.36 -178.3 4.25 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 115.84 -0.618 . . . . 0.0 110.645 -179.816 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 90' ' ' ASP . . . . . . . . . . . . . 2.5 p30 -59.84 -20.86 59.5 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 115.803 -0.635 . . . . 0.0 111.243 -179.86 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 91' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -141.03 154.59 68.41 Favored Pre-proline 0 CA--C 1.531 0.218 0 C-N-CA 120.684 -0.406 . . . . 0.0 110.643 -179.805 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 92' ' ' PRO . . . . . . . . . . . . . 48.5 Cg_endo -71.52 -43.53 1.37 Allowed 'Trans proline' 0 N--CA 1.472 0.247 0 C-N-CA 122.372 2.048 . . . . 0.0 112.565 179.957 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 93' ' ' GLN . . . . . 0.437 ' HA ' ' CG ' ' A' ' 44' ' ' PHE . 4.8 pt20 -60.03 -21.35 61.25 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 115.907 -0.588 . . . . 0.0 111.171 -179.668 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 94' ' ' HIS . . . . . . . . . . . . . 3.1 t-160 -72.39 -58.02 3.73 Favored 'General case' 0 C--N 1.332 -0.187 0 CA-C-O 121.175 0.512 . . . . 0.0 110.059 179.649 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 95' ' ' SER . . . . . . . . . . . . . 78.0 p -48.12 -27.35 2.3 Favored 'General case' 0 N--CA 1.468 0.47 0 CA-C-N 115.667 -0.697 . . . . 0.0 111.802 179.787 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 38.2 p -53.84 -51.48 63.42 Favored 'General case' 0 N--CA 1.466 0.345 0 CA-C-N 116.084 -0.507 . . . . 0.0 111.53 -179.427 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 97' ' ' ALA . . . . . . . . . . . . . . . -59.14 -34.08 71.64 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 115.975 -0.557 . . . . 0.0 111.038 -179.507 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 98' ' ' ASP . . . . . . . . . . . . . 1.5 m-20 -61.63 -29.33 69.99 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 115.959 -0.564 . . . . 0.0 110.934 -179.693 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 99' ' ' PHE . . . . . . . . . . . . . 26.8 m-85 -72.31 -43.75 63.71 Favored 'General case' 0 C--N 1.332 -0.189 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.867 -179.698 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 100' ' ' PHE . . . . . . . . . . . . . 6.0 m-85 -96.29 42.66 1.09 Allowed 'General case' 0 C--N 1.331 -0.217 0 CA-C-O 121.406 0.622 . . . . 0.0 110.617 -179.752 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 101' ' ' LYS . . . . . . . . . . . . . 24.2 mttp -158.49 -55.59 0.07 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 115.578 -0.737 . . . . 0.0 109.592 179.652 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 102' ' ' CYS . . . . . . . . . . . . . 42.9 t -53.64 -58.7 6.25 Favored 'General case' 0 N--CA 1.464 0.263 0 CA-C-N 115.397 -0.819 . . . . 0.0 110.845 179.476 -172.848 -125.219 -50.803 103.558 2.018 104.011 -68.125 -58.494 1 1 . 1 . 001 nuclear orig full ' A' A ' 103' ' ' VAL . . . . . . . . . . . . . 34.7 m -61.2 -27.03 40.94 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.261 0 CA-C-N 115.681 -0.691 . . . . 0.0 110.99 -179.734 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 104' ' ' HIS . . . . . . . . . . . . . 56.9 m80 -81.18 -30.34 34.39 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-O 120.935 0.398 . . . . 0.0 110.865 -179.741 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 105' ' ' ASP . . . . . . . . . . . . . 24.8 m-20 -99.21 34.9 2.03 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-O 121.123 0.487 . . . . 0.0 110.57 -179.849 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 106' ' ' ASN . . . . . . . . . . . . . 66.1 t30 -91.54 123.53 35.02 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 115.854 -0.612 . . . . 0.0 110.401 179.926 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 107' ' ' ARG . . . . . . . . . . . . . 21.6 mtp180 -63.67 144.91 56.64 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 115.885 -0.598 . . . . 0.0 110.424 179.959 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 108' ' ' SER . . . . . . . . . . . . . 31.3 t . . . . . 0 C--O 1.22 -0.461 0 CA-C-O 117.976 -1.011 . . . . 0.0 110.383 -179.967 . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 1' ' ' GLU . . . . . . . . . . . . . 1.5 tp10 . . . . . 0 N--CA 1.489 1.522 0 N-CA-C 109.163 -0.68 . . . . 0.0 109.163 . . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 6.2 p 48.35 95.27 0.04 OUTLIER Pre-proline 0 N--CA 1.47 0.539 0 CA-C-N 115.83 -0.623 . . . . 0.0 111.374 179.991 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 3' ' ' PRO . . . . . . . . . . . . . 47.8 Cg_endo -71.27 -36.53 6.96 Favored 'Trans proline' 0 N--CA 1.471 0.182 0 C-N-CA 122.211 1.94 . . . . 0.0 112.327 179.933 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 38.0 ttt180 68.52 -68.3 0.18 Allowed 'General case' 0 N--CA 1.467 0.423 0 CA-C-N 115.697 -0.683 . . . . 0.0 110.8 179.932 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 10.8 pt-20 -59.26 -42.99 92.45 Favored 'General case' 0 C--N 1.332 -0.196 0 CA-C-O 121.139 0.495 . . . . 0.0 110.659 -179.922 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 9.9 tptp 60.17 64.51 1.23 Allowed 'General case' 0 C--O 1.233 0.21 0 CA-C-N 115.766 -0.652 . . . . 0.0 110.565 179.904 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 9.6 tp -66.33 108.51 2.36 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 115.745 -0.661 . . . . 0.0 110.261 179.928 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 34.7 mttt -87.68 -59.19 2.32 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 115.887 -0.597 . . . . 0.0 110.579 -179.864 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 8.5 mt-30 60.96 104.23 0.02 OUTLIER 'General case' 0 C--N 1.331 -0.21 0 CA-C-N 115.853 -0.612 . . . . 0.0 110.362 -179.883 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 10' ' ' HIS . . . . . . . . . . . . . 6.9 m170 -60.74 -30.44 70.0 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 115.842 -0.617 . . . . 0.0 110.671 -179.883 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 2.6 m -123.95 51.73 1.52 Allowed 'General case' 0 C--O 1.233 0.203 0 CA-C-O 121.368 0.604 . . . . 0.0 110.433 -179.944 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 8.9 p-10 -60.1 -42.58 94.98 Favored 'General case' 0 N--CA 1.464 0.229 0 CA-C-N 115.766 -0.652 . . . . 0.0 110.382 179.891 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -92.29 -28.34 17.03 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 115.671 -0.695 . . . . 0.0 110.499 179.696 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 1.9 m -71.3 -16.85 62.48 Favored 'General case' 0 CA--C 1.532 0.283 0 CA-C-N 116.022 -0.535 . . . . 0.0 111.348 -179.903 -89.323 -151.528 -79.071 104.073 2.017 103.624 -111.864 -51.227 1 1 . 1 . 001 nuclear build full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 29.0 tttt -72.14 -21.85 61.4 Favored 'General case' 0 CA--C 1.531 0.222 0 C-N-CA 120.823 -0.351 . . . . 0.0 111.078 179.84 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -54.48 -25.0 22.72 Favored 'General case' 0 N--CA 1.466 0.365 0 CA-C-N 116.491 -0.322 . . . . 0.0 111.326 -179.788 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 20.0 tt0 -150.47 -53.93 0.15 Allowed 'General case' 0 C--N 1.332 -0.173 0 CA-C-O 121.081 0.467 . . . . 0.0 110.421 179.914 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 2.1 m -76.75 64.02 2.26 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 121.435 0.636 . . . . 0.0 110.522 -179.864 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -106.72 47.08 1.08 Allowed Glycine 0 CA--C 1.524 0.607 0 N-CA-C 110.639 -0.984 . . . . 0.0 110.639 179.965 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 20' ' ' VAL . . . . . 0.568 HG13 ' O ' ' A' ' 20' ' ' VAL . 11.7 p -59.04 111.1 0.49 Allowed 'Isoleucine or valine' 0 CA--C 1.532 0.254 0 CA-C-O 121.265 0.555 . . . . 0.0 110.437 -179.825 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 2.1 p -73.4 -177.74 2.73 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 115.651 -0.704 . . . . 0.0 110.419 -179.977 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 40.7 mt-10 -76.35 64.66 2.13 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 121.39 0.614 . . . . 0.0 110.325 -179.98 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 2.7 tt0 -126.99 -67.07 0.86 Allowed 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 115.721 -0.672 . . . . 0.0 110.025 179.807 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 1.3 m -72.07 -32.89 67.49 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 115.803 -0.635 . . . . 0.0 109.998 179.525 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 13.6 mt -61.68 -43.3 99.12 Favored 'General case' 0 C--N 1.331 -0.203 0 CA-C-N 115.691 -0.686 . . . . 0.0 110.302 179.835 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 29.3 t-20 -62.64 -35.77 80.67 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 115.824 -0.625 . . . . 0.0 110.32 179.849 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 53.8 mttt -61.15 -28.23 68.97 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 115.71 -0.677 . . . . 0.0 110.69 179.857 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 37.0 t -60.43 -28.09 41.46 Favored 'Isoleucine or valine' 0 CA--C 1.53 0.206 0 CA-C-N 116.081 -0.509 . . . . 0.0 110.52 179.929 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 6.6 mmm-85 -57.03 -31.29 64.99 Favored 'General case' 0 N--CA 1.464 0.225 0 CA-C-O 121.048 0.452 . . . . 0.0 110.739 -179.985 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 4.8 m-20 -105.38 156.21 18.39 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 115.902 -0.59 . . . . 0.0 110.282 179.878 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 15.6 mtm180 -75.54 66.54 1.93 Allowed 'General case' 0 C--N 1.33 -0.264 0 CA-C-O 121.417 0.627 . . . . 0.0 110.387 -179.971 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 11.1 mt-10 -110.58 -33.56 6.55 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 115.678 -0.692 . . . . 0.0 110.458 -179.934 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 6.8 mt-10 61.0 106.79 0.02 OUTLIER 'General case' 0 C--N 1.331 -0.22 0 CA-C-N 115.927 -0.578 . . . . 0.0 110.503 -179.97 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 34' ' ' VAL . . . . . 0.512 HG22 ' OD1' ' A' ' 36' ' ' ASP . 13.5 p -122.67 125.5 72.6 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.215 0 CA-C-N 115.817 -0.629 . . . . 0.0 110.187 179.933 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 2.4 m-20 -89.92 121.81 32.38 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 115.835 -0.621 . . . . 0.0 110.522 -179.968 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 36' ' ' ASP . . . . . 0.512 ' OD1' HG22 ' A' ' 34' ' ' VAL . 2.4 m-20 -155.93 145.02 15.0 Favored Pre-proline 0 CA--C 1.532 0.263 0 CA-C-N 115.825 -0.625 . . . . 0.0 110.37 179.997 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 46.6 Cg_endo -72.07 -52.46 0.19 Allowed 'Trans proline' 0 CA--C 1.528 0.202 0 C-N-CA 122.209 1.94 . . . . 0.0 112.598 -179.876 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 47.7 mttt -57.02 -31.5 65.2 Favored 'General case' 0 N--CA 1.464 0.246 0 CA-C-N 116.004 -0.544 . . . . 0.0 110.879 -179.894 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -64.39 -60.82 2.72 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 115.928 -0.578 . . . . 0.0 110.467 -179.906 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 40' ' ' LYS . . . . . 0.57 ' HA ' ' HB2' ' A' ' 97' ' ' ALA . 52.9 mttt -64.28 -37.57 87.97 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 115.799 -0.637 . . . . 0.0 110.559 -179.907 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 8.3 mm-40 -64.92 -50.4 66.64 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 115.825 -0.625 . . . . 0.0 110.867 -179.731 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 42' ' ' HIS . . . . . 0.43 ' HB2' HG12 ' A' ' 20' ' ' VAL . 17.4 t-80 -55.86 -39.72 71.89 Favored 'General case' 0 N--CA 1.465 0.29 0 CA-C-N 115.875 -0.602 . . . . 0.0 111.106 -179.574 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -55.85 -50.58 70.22 Favored 'General case' 0 N--CA 1.466 0.327 0 CA-C-N 116.081 -0.508 . . . . 0.0 111.174 -179.626 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 44' ' ' PHE . . . . . 0.49 ' CE1' HG21 ' A' ' 53' ' ' ILE . 28.1 t80 -58.56 -30.69 67.33 Favored 'General case' 0 N--CA 1.464 0.273 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.363 179.864 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 45' ' ' CYS . . . . . . . . . . . . . 34.9 m -65.04 -28.29 69.38 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 115.85 -0.614 . . . . 0.0 110.262 179.81 -51.227 -111.864 -79.071 103.624 2.017 104.073 -151.528 -89.323 1 1 . 1 . 001 nuclear build full ' A' A ' 46' ' ' ILE . . . . . . . . . . . . . 4.7 mm -88.59 -34.48 7.05 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.265 0 CA-C-O 121.126 0.488 . . . . 0.0 110.164 -179.969 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 47' ' ' LEU . . . . . 0.517 ' HB3' HG22 ' A' ' 53' ' ' ILE . 1.5 mm? -60.92 -45.74 93.47 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 115.752 -0.658 . . . . 0.0 110.564 -179.79 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 22.8 ttpt -65.05 -28.89 69.79 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 115.816 -0.629 . . . . 0.0 111.013 -179.611 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 12.3 mmm180 -87.35 -33.85 19.03 Favored 'General case' 0 C--N 1.332 -0.194 0 CA-C-O 121.029 0.442 . . . . 0.0 110.915 -179.659 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -60.03 -29.91 68.82 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 115.926 -0.579 . . . . 0.0 110.844 -179.745 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 97.17 30.55 7.35 Favored Glycine 0 CA--C 1.526 0.73 0 N-CA-C 110.83 -0.908 . . . . 0.0 110.83 -179.888 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 16.1 m-85 -101.95 -67.73 0.86 Allowed 'General case' 0 C--N 1.33 -0.244 0 CA-C-O 121.2 0.524 . . . . 0.0 110.065 179.869 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 53' ' ' ILE . . . . . 0.517 HG22 ' HB3' ' A' ' 47' ' ' LEU . 7.8 tt -89.05 149.34 4.05 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 115.641 -0.708 . . . . 0.0 110.156 179.793 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 11.1 p-10 -93.1 166.41 12.36 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 121.419 0.628 . . . . 0.0 110.894 -179.65 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -54.61 -18.73 4.83 Favored 'General case' 0 CA--C 1.534 0.337 0 CA-C-N 115.214 -0.903 . . . . 0.0 112.348 -179.714 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 1.2 t -87.71 -24.64 23.79 Favored 'General case' 0 N--CA 1.463 0.206 0 C-N-CA 120.589 -0.444 . . . . 0.0 111.386 -178.971 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . 105.01 21.34 9.05 Favored Glycine 0 CA--C 1.528 0.892 0 C-N-CA 120.734 -0.745 . . . . 0.0 111.891 179.378 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 9.9 tt0 -84.1 113.16 20.85 Favored 'General case' 0 C--N 1.332 -0.189 0 CA-C-O 121.026 0.441 . . . . 0.0 109.989 179.541 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 59' ' ' PHE . . . . . 0.438 ' CE2' ' HB3' ' A' ' 88' ' ' LYS . 12.5 p90 -65.31 137.79 57.77 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-O 121.276 0.56 . . . . 0.0 110.854 -179.489 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 60' ' ' GLN . . . . . . . . . . . . . 27.4 mt-30 -122.57 81.91 1.91 Allowed 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 115.472 -0.786 . . . . 0.0 109.767 179.728 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 61' ' ' LEU . . . . . 0.744 ' HA ' HD12 ' A' ' 64' ' ' ILE . 8.8 mt -72.8 -26.42 61.51 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 115.619 -0.719 . . . . 0.0 111.478 -179.127 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -59.02 -29.94 67.63 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-O 121.005 0.431 . . . . 0.0 110.782 -179.814 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 63' ' ' HIS . . . . . . . . . . . . . 6.4 m170 -89.78 -32.04 17.13 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 115.956 -0.565 . . . . 0.0 110.417 179.783 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 64' ' ' ILE . . . . . 0.744 HD12 ' HA ' ' A' ' 61' ' ' LEU . 34.3 mt -70.07 -52.58 29.35 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.23 0 CA-C-N 115.885 -0.598 . . . . 0.0 110.616 -179.934 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 9.7 ptmt -56.33 -42.92 78.46 Favored 'General case' 0 CA--C 1.533 0.29 0 CA-C-N 115.873 -0.603 . . . . 0.0 111.315 -179.168 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 21.9 m -61.45 -38.22 86.42 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 115.964 -0.562 . . . . 0.0 110.86 -179.722 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 35.2 mmtt -63.7 -54.63 32.48 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 115.979 -0.555 . . . . 0.0 111.026 -179.502 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 68' ' ' PHE . . . . . 0.922 ' CB ' HG11 ' A' ' 78' ' ' VAL . 9.1 m-85 -65.0 -27.75 69.04 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.055 -0.52 . . . . 0.0 110.893 -179.701 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 19.0 mttt -72.06 -66.26 0.67 Allowed 'General case' 0 C--N 1.331 -0.22 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.856 -179.627 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -55.45 125.04 19.21 Favored 'General case' 0 N--CA 1.465 0.305 0 CA-C-N 115.956 -0.566 . . . . 0.0 111.023 -179.604 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 71' ' ' ASN . . . . . . . . . . . . . 47.4 t30 60.88 91.56 0.06 Allowed 'General case' 0 C--N 1.331 -0.202 0 CA-C-N 115.742 -0.663 . . . . 0.0 110.41 -179.925 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 30.5 t -160.71 167.17 27.45 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 115.812 -0.631 . . . . 0.0 110.442 -179.931 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 16.8 mt-10 -78.67 -37.69 41.2 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 115.862 -0.608 . . . . 0.0 110.408 -179.993 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 74' ' ' HIS . . . . . . . . . . . . . 70.7 m80 -148.94 62.59 6.25 Favored Pre-proline 0 CA--C 1.535 0.387 0 CA-C-N 115.86 -0.609 . . . . 0.0 110.415 -179.99 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 75' ' ' PRO . . . . . . . . . . . . . 48.6 Cg_endo -72.2 110.18 2.89 Favored 'Trans proline' 0 N--CA 1.471 0.178 0 C-N-CA 122.238 1.958 . . . . 0.0 112.204 179.893 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 10.0 pt-20 -179.94 -37.98 0.01 OUTLIER 'General case' 0 N--CA 1.463 0.177 0 CA-C-N 115.888 -0.596 . . . . 0.0 110.624 -179.866 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 16.2 mttp -90.72 -15.69 29.82 Favored 'General case' 0 CA--C 1.532 0.266 0 CA-C-N 116.003 -0.544 . . . . 0.0 111.554 -179.712 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 78' ' ' VAL . . . . . 0.922 HG11 ' CB ' ' A' ' 68' ' ' PHE . 50.4 t -60.07 -52.16 64.49 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.249 0 C-N-CA 120.732 -0.387 . . . . 0.0 110.617 -179.752 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 1.2 p30 -47.55 -47.07 28.33 Favored 'General case' 0 N--CA 1.472 0.629 0 CA-C-N 116.231 -0.441 . . . . 0.0 111.692 -179.405 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 5.3 m-20 -70.91 -36.53 72.74 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 121.172 0.51 . . . . 0.0 110.194 179.772 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 1.3 tp -68.78 -30.02 68.52 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 115.567 -0.742 . . . . 0.0 110.859 -179.841 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 82' ' ' VAL . . . . . 0.904 HG23 ' O ' ' A' ' 78' ' ' VAL . 41.2 t -59.02 -38.38 73.52 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.272 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.632 -179.82 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -64.95 -43.45 92.65 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.1 -0.5 . . . . 0.0 111.151 -179.714 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 84' ' ' LYS . . . . . 0.524 ' O ' HG13 ' A' ' 87' ' ' VAL . 27.8 tttt -76.8 -29.61 56.09 Favored 'General case' 0 N--CA 1.464 0.247 0 CA-C-N 115.94 -0.573 . . . . 0.0 111.548 -178.87 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 85' ' ' CYS . . . . . . . . . . . . . 70.3 m -86.79 -37.07 18.17 Favored 'General case' 0 C--N 1.33 -0.251 0 C-N-CA 120.61 -0.436 . . . . 0.0 111.001 -179.347 -58.494 -68.125 -50.803 104.011 2.018 103.558 -125.219 -172.848 1 1 . 1 . 001 nuclear build full ' A' A ' 86' ' ' ALA . . . . . 0.636 ' HB2' ' HE1' ' A' ' 99' ' ' PHE . . . -88.1 36.39 0.77 Allowed 'General case' 0 CA--C 1.535 0.381 0 CA-C-N 116.078 -0.51 . . . . 0.0 112.016 -179.877 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 87' ' ' VAL . . . . . 0.524 HG13 ' O ' ' A' ' 84' ' ' LYS . 27.5 m -62.6 122.34 13.2 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.169 0 CA-C-O 121.058 0.456 . . . . 0.0 110.456 179.964 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 88' ' ' LYS . . . . . 0.438 ' HB3' ' CE2' ' A' ' 59' ' ' PHE . 0.6 OUTLIER -62.81 112.67 2.64 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 115.896 -0.593 . . . . 0.0 110.3 179.874 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 17.5 mmtp -96.36 -178.3 4.25 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 115.84 -0.618 . . . . 0.0 110.645 -179.816 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 90' ' ' ASP . . . . . . . . . . . . . 2.5 p30 -59.84 -20.86 59.5 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 115.803 -0.635 . . . . 0.0 111.243 -179.86 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 91' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -141.03 154.59 68.41 Favored Pre-proline 0 CA--C 1.531 0.218 0 C-N-CA 120.684 -0.406 . . . . 0.0 110.643 -179.805 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 92' ' ' PRO . . . . . . . . . . . . . 48.5 Cg_endo -71.52 -43.53 1.37 Allowed 'Trans proline' 0 N--CA 1.472 0.247 0 C-N-CA 122.372 2.048 . . . . 0.0 112.565 179.957 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 93' ' ' GLN . . . . . 0.445 ' HA ' ' CG ' ' A' ' 44' ' ' PHE . 4.8 pt20 -60.03 -21.35 61.25 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 115.907 -0.588 . . . . 0.0 111.171 -179.668 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 94' ' ' HIS . . . . . . . . . . . . . 3.1 t-160 -72.39 -58.02 3.73 Favored 'General case' 0 C--N 1.332 -0.187 0 CA-C-O 121.175 0.512 . . . . 0.0 110.059 179.649 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 95' ' ' SER . . . . . . . . . . . . . 78.0 p -48.12 -27.35 2.3 Favored 'General case' 0 N--CA 1.468 0.47 0 CA-C-N 115.667 -0.697 . . . . 0.0 111.802 179.787 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 38.2 p -53.84 -51.48 63.42 Favored 'General case' 0 N--CA 1.466 0.345 0 CA-C-N 116.084 -0.507 . . . . 0.0 111.53 -179.427 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 97' ' ' ALA . . . . . 0.57 ' HB2' ' HA ' ' A' ' 40' ' ' LYS . . . -59.14 -34.08 71.64 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 115.975 -0.557 . . . . 0.0 111.038 -179.507 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 98' ' ' ASP . . . . . . . . . . . . . 1.5 m-20 -61.63 -29.33 69.99 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 115.959 -0.564 . . . . 0.0 110.934 -179.693 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 99' ' ' PHE . . . . . 0.636 ' HE1' ' HB2' ' A' ' 86' ' ' ALA . 26.8 m-85 -72.31 -43.75 63.71 Favored 'General case' 0 C--N 1.332 -0.189 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.867 -179.698 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 100' ' ' PHE . . . . . . . . . . . . . 6.0 m-85 -96.29 42.66 1.09 Allowed 'General case' 0 C--N 1.331 -0.217 0 CA-C-O 121.406 0.622 . . . . 0.0 110.617 -179.752 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 101' ' ' LYS . . . . . . . . . . . . . 24.2 mttp -158.49 -55.59 0.07 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 115.578 -0.737 . . . . 0.0 109.592 179.652 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 102' ' ' CYS . . . . . . . . . . . . . 42.9 t -53.64 -58.7 6.25 Favored 'General case' 0 N--CA 1.464 0.263 0 CA-C-N 115.397 -0.819 . . . . 0.0 110.845 179.476 -172.848 -125.219 -50.803 103.558 2.018 104.011 -68.125 -58.494 1 1 . 1 . 001 nuclear build full ' A' A ' 103' ' ' VAL . . . . . 0.63 HG22 ' O ' ' A' ' 99' ' ' PHE . 34.7 m -61.2 -27.03 40.94 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.261 0 CA-C-N 115.681 -0.691 . . . . 0.0 110.99 -179.734 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 104' ' ' HIS . . . . . . . . . . . . . 56.9 m80 -81.18 -30.34 34.39 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-O 120.935 0.398 . . . . 0.0 110.865 -179.741 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 105' ' ' ASP . . . . . . . . . . . . . 24.8 m-20 -99.21 34.9 2.03 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-O 121.123 0.487 . . . . 0.0 110.57 -179.849 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 106' ' ' ASN . . . . . . . . . . . . . 66.1 t30 -91.54 123.53 35.02 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 115.854 -0.612 . . . . 0.0 110.401 179.926 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 107' ' ' ARG . . . . . . . . . . . . . 21.6 mtp180 -63.67 144.91 56.64 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 115.885 -0.598 . . . . 0.0 110.424 179.959 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 108' ' ' SER . . . . . . . . . . . . . 31.3 t . . . . . 0 C--O 1.22 -0.461 0 CA-C-O 117.976 -1.011 . . . . 0.0 110.383 -179.967 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 1' ' ' GLU . . . . . . . . . . . . . 1.5 tp10 . . . . . 0 N--CA 1.489 1.522 0 N-CA-C 109.163 -0.68 . . . . 0.0 109.163 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 6.2 p 48.35 95.27 0.04 OUTLIER Pre-proline 0 N--CA 1.47 0.539 0 CA-C-N 115.83 -0.623 . . . . 0.0 111.374 179.991 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 3' ' ' PRO . . . . . . . . . . . . . 47.8 Cg_endo -71.27 -36.53 6.96 Favored 'Trans proline' 0 N--CA 1.471 0.182 0 C-N-CA 122.211 1.94 . . . . 0.0 112.327 179.933 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 38.0 ttt180 68.52 -68.3 0.18 Allowed 'General case' 0 N--CA 1.467 0.423 0 CA-C-N 115.697 -0.683 . . . . 0.0 110.8 179.932 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 10.8 pt-20 -59.26 -42.99 92.45 Favored 'General case' 0 C--N 1.332 -0.196 0 CA-C-O 121.139 0.495 . . . . 0.0 110.659 -179.922 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 9.9 tptp 60.17 64.51 1.23 Allowed 'General case' 0 C--O 1.233 0.21 0 CA-C-N 115.766 -0.652 . . . . 0.0 110.565 179.904 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 9.6 tp -66.33 108.51 2.36 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 115.745 -0.661 . . . . 0.0 110.261 179.928 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 34.7 mttt -87.68 -59.19 2.32 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 115.887 -0.597 . . . . 0.0 110.579 -179.864 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 8.5 mt-30 60.96 104.23 0.02 OUTLIER 'General case' 0 C--N 1.331 -0.21 0 CA-C-N 115.853 -0.612 . . . . 0.0 110.362 -179.883 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 10' ' ' HIS . . . . . . . . . . . . . 6.9 m170 -60.74 -30.44 70.0 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 115.842 -0.617 . . . . 0.0 110.671 -179.883 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 2.6 m -123.95 51.73 1.52 Allowed 'General case' 0 C--O 1.233 0.203 0 CA-C-O 121.368 0.604 . . . . 0.0 110.433 -179.944 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 8.9 p-10 -60.1 -42.58 94.98 Favored 'General case' 0 N--CA 1.464 0.229 0 CA-C-N 115.766 -0.652 . . . . 0.0 110.382 179.891 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -92.29 -28.34 17.03 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 115.671 -0.695 . . . . 0.0 110.499 179.696 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 1.9 m -71.3 -16.85 62.48 Favored 'General case' 0 CA--C 1.532 0.283 0 CA-C-N 116.022 -0.535 . . . . 0.0 111.348 -179.903 -89.323 -151.528 -79.071 104.073 2.017 103.624 -111.864 -51.227 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 29.0 tttt -72.14 -21.85 61.4 Favored 'General case' 0 CA--C 1.531 0.222 0 C-N-CA 120.823 -0.351 . . . . 0.0 111.078 179.84 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -54.48 -25.0 22.72 Favored 'General case' 0 N--CA 1.466 0.365 0 CA-C-N 116.491 -0.322 . . . . 0.0 111.326 -179.788 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 20.0 tt0 -150.47 -53.93 0.15 Allowed 'General case' 0 C--N 1.332 -0.173 0 CA-C-O 121.081 0.467 . . . . 0.0 110.421 179.914 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 2.1 m -76.75 64.02 2.26 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 121.435 0.636 . . . . 0.0 110.522 -179.864 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -106.72 47.08 1.08 Allowed Glycine 0 CA--C 1.524 0.607 0 N-CA-C 110.639 -0.984 . . . . 0.0 110.639 179.965 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 20' ' ' VAL . . . . . 0.568 HG13 ' O ' ' A' ' 20' ' ' VAL . 11.7 p -59.04 111.1 0.49 Allowed 'Isoleucine or valine' 0 CA--C 1.532 0.254 0 CA-C-O 121.265 0.555 . . . . 0.0 110.437 -179.825 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 2.1 p -73.4 -177.74 2.73 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 115.651 -0.704 . . . . 0.0 110.419 -179.977 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 40.7 mt-10 -76.35 64.66 2.13 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 121.39 0.614 . . . . 0.0 110.325 -179.98 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 2.7 tt0 -126.99 -67.07 0.86 Allowed 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 115.721 -0.672 . . . . 0.0 110.025 179.807 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 1.3 m -72.07 -32.89 67.49 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 115.803 -0.635 . . . . 0.0 109.998 179.525 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 13.6 mt -61.68 -43.3 99.12 Favored 'General case' 0 C--N 1.331 -0.203 0 CA-C-N 115.691 -0.686 . . . . 0.0 110.302 179.835 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 29.3 t-20 -62.64 -35.77 80.67 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 115.824 -0.625 . . . . 0.0 110.32 179.849 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 53.8 mttt -61.15 -28.23 68.97 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 115.71 -0.677 . . . . 0.0 110.69 179.857 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 37.0 t -60.43 -28.09 41.46 Favored 'Isoleucine or valine' 0 CA--C 1.53 0.206 0 CA-C-N 116.081 -0.509 . . . . 0.0 110.52 179.929 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 6.6 mmm-85 -57.03 -31.29 64.99 Favored 'General case' 0 N--CA 1.464 0.225 0 CA-C-O 121.048 0.452 . . . . 0.0 110.739 -179.985 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 4.8 m-20 -105.38 156.21 18.39 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 115.902 -0.59 . . . . 0.0 110.282 179.878 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 15.6 mtm180 -75.54 66.54 1.93 Allowed 'General case' 0 C--N 1.33 -0.264 0 CA-C-O 121.417 0.627 . . . . 0.0 110.387 -179.971 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 11.1 mt-10 -110.58 -33.56 6.55 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 115.678 -0.692 . . . . 0.0 110.458 -179.934 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 6.8 mt-10 61.0 106.79 0.02 OUTLIER 'General case' 0 C--N 1.331 -0.22 0 CA-C-N 115.927 -0.578 . . . . 0.0 110.503 -179.97 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 34' ' ' VAL . . . . . 0.512 HG22 ' OD1' ' A' ' 36' ' ' ASP . 13.5 p -122.67 125.5 72.6 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.215 0 CA-C-N 115.817 -0.629 . . . . 0.0 110.187 179.933 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 2.4 m-20 -89.92 121.81 32.38 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 115.835 -0.621 . . . . 0.0 110.522 -179.968 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 36' ' ' ASP . . . . . 0.512 ' OD1' HG22 ' A' ' 34' ' ' VAL . 2.4 m-20 -155.93 145.02 15.0 Favored Pre-proline 0 CA--C 1.532 0.263 0 CA-C-N 115.825 -0.625 . . . . 0.0 110.37 179.997 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 46.6 Cg_endo -72.07 -52.46 0.19 Allowed 'Trans proline' 0 CA--C 1.528 0.202 0 C-N-CA 122.209 1.94 . . . . 0.0 112.598 -179.876 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 47.7 mttt -57.02 -31.5 65.2 Favored 'General case' 0 N--CA 1.464 0.246 0 CA-C-N 116.004 -0.544 . . . . 0.0 110.879 -179.894 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -64.39 -60.82 2.72 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 115.928 -0.578 . . . . 0.0 110.467 -179.906 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 40' ' ' LYS . . . . . 0.57 ' HA ' ' HB2' ' A' ' 97' ' ' ALA . 52.9 mttt -64.28 -37.57 87.97 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 115.799 -0.637 . . . . 0.0 110.559 -179.907 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 8.3 mm-40 -64.92 -50.4 66.64 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 115.825 -0.625 . . . . 0.0 110.867 -179.731 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 42' ' ' HIS . . . . . 0.43 ' HB2' HG12 ' A' ' 20' ' ' VAL . 17.4 t-80 -55.86 -39.72 71.89 Favored 'General case' 0 N--CA 1.465 0.29 0 CA-C-N 115.875 -0.602 . . . . 0.0 111.106 -179.574 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -55.85 -50.58 70.22 Favored 'General case' 0 N--CA 1.466 0.327 0 CA-C-N 116.081 -0.508 . . . . 0.0 111.174 -179.626 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 44' ' ' PHE . . . . . 0.49 ' CE1' HG21 ' A' ' 53' ' ' ILE . 28.1 t80 -58.56 -30.69 67.33 Favored 'General case' 0 N--CA 1.464 0.273 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.363 179.864 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 45' ' ' CYS . . . . . . . . . . . . . 34.9 m -65.04 -28.29 69.38 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 115.85 -0.614 . . . . 0.0 110.262 179.81 -51.227 -111.864 -79.071 103.624 2.017 104.073 -151.528 -89.323 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 46' ' ' ILE . . . . . . . . . . . . . 4.7 mm -88.59 -34.48 7.05 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.265 0 CA-C-O 121.126 0.488 . . . . 0.0 110.164 -179.969 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 47' ' ' LEU . . . . . 0.517 ' HB3' HG22 ' A' ' 53' ' ' ILE . 1.5 mm? -60.92 -45.74 93.47 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 115.752 -0.658 . . . . 0.0 110.564 -179.79 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 22.8 ttpt -65.05 -28.89 69.79 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 115.816 -0.629 . . . . 0.0 111.013 -179.611 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 12.3 mmm180 -87.35 -33.85 19.03 Favored 'General case' 0 C--N 1.332 -0.194 0 CA-C-O 121.029 0.442 . . . . 0.0 110.915 -179.659 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -60.03 -29.91 68.82 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 115.926 -0.579 . . . . 0.0 110.844 -179.745 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 97.17 30.55 7.35 Favored Glycine 0 CA--C 1.526 0.73 0 N-CA-C 110.83 -0.908 . . . . 0.0 110.83 -179.888 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 16.1 m-85 -101.95 -67.73 0.86 Allowed 'General case' 0 C--N 1.33 -0.244 0 CA-C-O 121.2 0.524 . . . . 0.0 110.065 179.869 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 53' ' ' ILE . . . . . 0.517 HG22 ' HB3' ' A' ' 47' ' ' LEU . 7.8 tt -89.05 149.34 4.05 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 115.641 -0.708 . . . . 0.0 110.156 179.793 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 11.1 p-10 -93.1 166.41 12.36 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 121.419 0.628 . . . . 0.0 110.894 -179.65 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -54.61 -18.73 4.83 Favored 'General case' 0 CA--C 1.534 0.337 0 CA-C-N 115.214 -0.903 . . . . 0.0 112.348 -179.714 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 1.2 t -87.71 -24.64 23.79 Favored 'General case' 0 N--CA 1.463 0.206 0 C-N-CA 120.589 -0.444 . . . . 0.0 111.386 -178.971 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . 105.01 21.34 9.05 Favored Glycine 0 CA--C 1.528 0.892 0 C-N-CA 120.734 -0.745 . . . . 0.0 111.891 179.378 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 9.9 tt0 -84.1 113.16 20.85 Favored 'General case' 0 C--N 1.332 -0.189 0 CA-C-O 121.026 0.441 . . . . 0.0 109.989 179.541 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 59' ' ' PHE . . . . . 0.438 ' CE2' ' HB3' ' A' ' 88' ' ' LYS . 12.5 p90 -65.31 137.79 57.77 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-O 121.276 0.56 . . . . 0.0 110.854 -179.489 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 60' ' ' GLN . . . . . . . . . . . . . 27.4 mt-30 -122.57 81.91 1.91 Allowed 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 115.472 -0.786 . . . . 0.0 109.767 179.728 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 61' ' ' LEU . . . . . 0.744 ' HA ' HD12 ' A' ' 64' ' ' ILE . 8.8 mt -72.8 -26.42 61.51 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 115.619 -0.719 . . . . 0.0 111.478 -179.127 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -59.02 -29.94 67.63 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-O 121.005 0.431 . . . . 0.0 110.782 -179.814 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 63' ' ' HIS . . . . . . . . . . . . . 6.4 m170 -89.78 -32.04 17.13 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 115.956 -0.565 . . . . 0.0 110.417 179.783 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 64' ' ' ILE . . . . . 0.744 HD12 ' HA ' ' A' ' 61' ' ' LEU . 34.3 mt -70.07 -52.58 29.35 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.23 0 CA-C-N 115.885 -0.598 . . . . 0.0 110.616 -179.934 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 9.7 ptmt -56.33 -42.92 78.46 Favored 'General case' 0 CA--C 1.533 0.29 0 CA-C-N 115.873 -0.603 . . . . 0.0 111.315 -179.168 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 21.9 m -61.45 -38.22 86.42 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 115.964 -0.562 . . . . 0.0 110.86 -179.722 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 35.2 mmtt -63.7 -54.63 32.48 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 115.979 -0.555 . . . . 0.0 111.026 -179.502 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 68' ' ' PHE . . . . . 0.922 ' CB ' HG11 ' A' ' 78' ' ' VAL . 9.1 m-85 -65.0 -27.75 69.04 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.055 -0.52 . . . . 0.0 110.893 -179.701 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 19.0 mttt -72.06 -66.26 0.67 Allowed 'General case' 0 C--N 1.331 -0.22 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.856 -179.627 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -55.45 125.04 19.21 Favored 'General case' 0 N--CA 1.465 0.305 0 CA-C-N 115.956 -0.566 . . . . 0.0 111.023 -179.604 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 71' ' ' ASN . . . . . . . . . . . . . 47.4 t30 60.88 91.56 0.06 Allowed 'General case' 0 C--N 1.331 -0.202 0 CA-C-N 115.742 -0.663 . . . . 0.0 110.41 -179.925 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 30.5 t -160.71 167.17 27.45 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 115.812 -0.631 . . . . 0.0 110.442 -179.931 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 16.8 mt-10 -78.67 -37.69 41.2 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 115.862 -0.608 . . . . 0.0 110.408 -179.993 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 74' ' ' HIS . . . . . . . . . . . . . 91.5 m-70 -148.94 62.59 6.25 Favored Pre-proline 0 CA--C 1.535 0.387 0 CA-C-N 115.86 -0.609 . . . . 0.0 110.415 -179.99 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 75' ' ' PRO . . . . . . . . . . . . . 48.6 Cg_endo -72.2 110.18 2.89 Favored 'Trans proline' 0 N--CA 1.471 0.178 0 C-N-CA 122.238 1.958 . . . . 0.0 112.204 179.893 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 10.0 pt-20 -179.94 -37.98 0.01 OUTLIER 'General case' 0 N--CA 1.463 0.177 0 CA-C-N 115.888 -0.596 . . . . 0.0 110.624 -179.866 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 16.2 mttp -90.72 -15.69 29.82 Favored 'General case' 0 CA--C 1.532 0.266 0 CA-C-N 116.003 -0.544 . . . . 0.0 111.554 -179.712 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 78' ' ' VAL . . . . . 0.922 HG11 ' CB ' ' A' ' 68' ' ' PHE . 50.4 t -60.07 -52.16 64.49 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.249 0 C-N-CA 120.732 -0.387 . . . . 0.0 110.617 -179.752 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 1.2 p30 -47.55 -47.07 28.33 Favored 'General case' 0 N--CA 1.472 0.629 0 CA-C-N 116.231 -0.441 . . . . 0.0 111.692 -179.405 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 5.3 m-20 -70.91 -36.53 72.74 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 121.172 0.51 . . . . 0.0 110.194 179.772 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 1.3 tp -68.78 -30.02 68.52 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 115.567 -0.742 . . . . 0.0 110.859 -179.841 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 82' ' ' VAL . . . . . 0.904 HG23 ' O ' ' A' ' 78' ' ' VAL . 41.2 t -59.02 -38.38 73.52 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.272 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.632 -179.82 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -64.95 -43.45 92.65 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.1 -0.5 . . . . 0.0 111.151 -179.714 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 84' ' ' LYS . . . . . 0.524 ' O ' HG13 ' A' ' 87' ' ' VAL . 27.8 tttt -76.8 -29.61 56.09 Favored 'General case' 0 N--CA 1.464 0.247 0 CA-C-N 115.94 -0.573 . . . . 0.0 111.548 -178.87 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 85' ' ' CYS . . . . . . . . . . . . . 70.3 m -86.79 -37.07 18.17 Favored 'General case' 0 C--N 1.33 -0.251 0 C-N-CA 120.61 -0.436 . . . . 0.0 111.001 -179.347 -58.494 -68.125 -50.803 104.011 2.018 103.558 -125.219 -172.848 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 86' ' ' ALA . . . . . 0.636 ' HB2' ' HE1' ' A' ' 99' ' ' PHE . . . -88.1 36.39 0.77 Allowed 'General case' 0 CA--C 1.535 0.381 0 CA-C-N 116.078 -0.51 . . . . 0.0 112.016 -179.877 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 87' ' ' VAL . . . . . 0.524 HG13 ' O ' ' A' ' 84' ' ' LYS . 27.5 m -62.6 122.34 13.2 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.169 0 CA-C-O 121.058 0.456 . . . . 0.0 110.456 179.964 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 88' ' ' LYS . . . . . 0.438 ' HB3' ' CE2' ' A' ' 59' ' ' PHE . 0.6 OUTLIER -62.81 112.67 2.64 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 115.896 -0.593 . . . . 0.0 110.3 179.874 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 17.5 mmtp -96.36 -178.3 4.25 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 115.84 -0.618 . . . . 0.0 110.645 -179.816 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 90' ' ' ASP . . . . . . . . . . . . . 2.5 p30 -59.84 -20.86 59.5 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 115.803 -0.635 . . . . 0.0 111.243 -179.86 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 91' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -141.03 154.59 68.41 Favored Pre-proline 0 CA--C 1.531 0.218 0 C-N-CA 120.684 -0.406 . . . . 0.0 110.643 -179.805 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 92' ' ' PRO . . . . . . . . . . . . . 48.5 Cg_endo -71.52 -43.53 1.37 Allowed 'Trans proline' 0 N--CA 1.472 0.247 0 C-N-CA 122.372 2.048 . . . . 0.0 112.565 179.957 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 93' ' ' GLN . . . . . 0.445 ' HA ' ' CG ' ' A' ' 44' ' ' PHE . 4.8 pt20 -60.03 -21.35 61.25 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 115.907 -0.588 . . . . 0.0 111.171 -179.668 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 94' ' ' HIS . . . . . . . . . . . . . 3.1 t-160 -72.39 -58.02 3.73 Favored 'General case' 0 C--N 1.332 -0.187 0 CA-C-O 121.175 0.512 . . . . 0.0 110.059 179.649 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 95' ' ' SER . . . . . . . . . . . . . 78.0 p -48.12 -27.35 2.3 Favored 'General case' 0 N--CA 1.468 0.47 0 CA-C-N 115.667 -0.697 . . . . 0.0 111.802 179.787 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 38.2 p -53.84 -51.48 63.42 Favored 'General case' 0 N--CA 1.466 0.345 0 CA-C-N 116.084 -0.507 . . . . 0.0 111.53 -179.427 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 97' ' ' ALA . . . . . 0.57 ' HB2' ' HA ' ' A' ' 40' ' ' LYS . . . -59.14 -34.08 71.64 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 115.975 -0.557 . . . . 0.0 111.038 -179.507 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 98' ' ' ASP . . . . . . . . . . . . . 1.5 m-20 -61.63 -29.33 69.99 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 115.959 -0.564 . . . . 0.0 110.934 -179.693 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 99' ' ' PHE . . . . . 0.636 ' HE1' ' HB2' ' A' ' 86' ' ' ALA . 26.8 m-85 -72.31 -43.75 63.71 Favored 'General case' 0 C--N 1.332 -0.189 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.867 -179.698 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 100' ' ' PHE . . . . . . . . . . . . . 6.0 m-85 -96.29 42.66 1.09 Allowed 'General case' 0 C--N 1.331 -0.217 0 CA-C-O 121.406 0.622 . . . . 0.0 110.617 -179.752 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 101' ' ' LYS . . . . . . . . . . . . . 24.2 mttp -158.49 -55.59 0.07 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 115.578 -0.737 . . . . 0.0 109.592 179.652 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 102' ' ' CYS . . . . . . . . . . . . . 42.9 t -53.64 -58.7 6.25 Favored 'General case' 0 N--CA 1.464 0.263 0 CA-C-N 115.397 -0.819 . . . . 0.0 110.845 179.476 -172.848 -125.219 -50.803 103.558 2.018 104.011 -68.125 -58.494 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 103' ' ' VAL . . . . . 0.63 HG22 ' O ' ' A' ' 99' ' ' PHE . 34.7 m -61.2 -27.03 40.94 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.261 0 CA-C-N 115.681 -0.691 . . . . 0.0 110.99 -179.734 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 104' ' ' HIS . . . . . . . . . . . . . 56.9 m80 -81.18 -30.34 34.39 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-O 120.935 0.398 . . . . 0.0 110.865 -179.741 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 105' ' ' ASP . . . . . . . . . . . . . 24.8 m-20 -99.21 34.9 2.03 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-O 121.123 0.487 . . . . 0.0 110.57 -179.849 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 106' ' ' ASN . . . . . . . . . . . . . 66.1 t30 -91.54 123.53 35.02 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 115.854 -0.612 . . . . 0.0 110.401 179.926 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 107' ' ' ARG . . . . . . . . . . . . . 21.6 mtp180 -63.67 144.91 56.64 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 115.885 -0.598 . . . . 0.0 110.424 179.959 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 108' ' ' SER . . . . . . . . . . . . . 31.3 t . . . . . 0 C--O 1.22 -0.461 0 CA-C-O 117.976 -1.011 . . . . 0.0 110.383 -179.967 . . . . . . . . 0 0 . 1 stop_ save_