data_2mp3_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 2mp3 _Structure_validation_residue.Date_analyzed 2016-10-08 loop_ _Residue_analysis_software.Software_ID _Residue_analysis_software.Software_label _Residue_analysis_software.Method_ID _Residue_analysis_software.Method_label _Residue_analysis_software.Entry_ID _Residue_analysis_software.Structure_validation_oneline_list_ID 1 MolProbity . . ? 1 2 CYRANGE . . ? 1 stop_ loop_ _Residue_analysis.ID _Residue_analysis.PDB_model_num _Residue_analysis.Hydrogen_positions _Residue_analysis.MolProbity_flips _Residue_analysis.Cyrange_core_flag _Residue_analysis.Two_letter_chain_ID _Residue_analysis.PDB_strand_ID _Residue_analysis.PDB_residue_no _Residue_analysis.PDB_ins_code _Residue_analysis.PDB_residue_name _Residue_analysis.Assembly_ID _Residue_analysis.Entity_assembly_ID _Residue_analysis.Entity_ID _Residue_analysis.Comp_ID _Residue_analysis.Comp_index_ID _Residue_analysis.Clash_value _Residue_analysis.Clash_source_PDB_atom_name _Residue_analysis.Clash_destination_PDB_atom_name _Residue_analysis.Clash_destination_PDB_strand_ID _Residue_analysis.Clash_destination_PDB_residue_no _Residue_analysis.Clash_destination_PDB_ins_code _Residue_analysis.Clash_destination_PDB_residue_name _Residue_analysis.Cbeta_deviation_value _Residue_analysis.Rotamer_score _Residue_analysis.Rotamer_name _Residue_analysis.Ramachandran_phi _Residue_analysis.Ramachandran_psi _Residue_analysis.Ramachandran_score _Residue_analysis.Ramachandran_evaluation _Residue_analysis.Ramachandran_type _Residue_analysis.Bond_outlier_count _Residue_analysis.Worst_bond _Residue_analysis.Worst_bond_value _Residue_analysis.Worst_bond_sigma _Residue_analysis.Angle_outlier_count _Residue_analysis.Worst_angle _Residue_analysis.Worst_angle_value _Residue_analysis.Worst_angle_sigma _Residue_analysis.RNA_phosphate_perpendicular_outlier _Residue_analysis.RNA_suitness_score _Residue_analysis.RNA_suite_conformer _Residue_analysis.RNA_suite_triage _Residue_analysis.Max_b_factor _Residue_analysis.Tau_angle _Residue_analysis.Omega_dihedral _Residue_analysis.Disulfide_chi1 _Residue_analysis.Disulfide_chi2 _Residue_analysis.Disulfide_chi3 _Residue_analysis.Disulfide_ss_angle _Residue_analysis.Disulfide_ss _Residue_analysis.Disulfide_ss_angle_prime _Residue_analysis.Disulfide_chi2prime _Residue_analysis.Disulfide_chi1prime _Residue_analysis.Outlier_count_separate_geometry _Residue_analysis.Outlier_count _Residue_analysis.Entry_ID _Residue_analysis.Structure_validation_residue_list_ID . 001 nuclear orig core ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 32.8 m . . . . . 0 C--O 1.23 0.05 0 CA-C-O 120.824 0.345 . . . . 0.0 111.13 . . . . . . . . . 0 0 . 1 . 001 nuclear orig core ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 11.3 tp60 -97.64 -49.34 4.89 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.872 -179.96 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -66.37 -33.91 86.33 Favored Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.689 -0.767 . . . . 0.0 112.488 -179.953 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 61.7 mt -83.54 -22.81 8.3 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.347 0 CA-C-O 120.824 0.345 . . . . 0.0 111.189 179.943 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 0.3 OUTLIER -64.77 -36.99 79.02 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.354 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.08 179.893 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 1.0 OUTLIER -94.68 -23.12 17.72 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.911 179.903 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 3.4 m-85 -81.8 -35.89 29.01 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.918 179.998 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 61.2 tt0 -85.39 -11.0 55.54 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.914 -179.951 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 67.7 mt-30 -100.65 -36.12 9.25 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.895 -179.912 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 5.0 mmtm -82.19 -35.27 28.49 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.857 -179.985 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 9.2 tt0 -82.73 0.99 40.99 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.876 -179.975 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 2.1 m . . . . . 0 C--N 1.33 -0.274 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.75 -179.79 . . . . . . . . 0 0 . 1 . 001 nuclear orig core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER . . . . . 0 C--O 1.232 0.14 0 CA-C-O 120.822 0.344 . . . . 0.0 110.911 . . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 11.5 t -69.07 -12.82 16.51 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.176 179.836 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 32' ' ' TRP . . . . . . . . . . . . . 0.9 OUTLIER -130.88 36.57 3.87 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.097 -0.502 . . . . 0.0 110.969 179.982 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -178.64 -38.99 0.06 OUTLIER Glycine 0 N--CA 1.452 -0.255 0 C-N-CA 120.733 -0.746 . . . . 0.0 112.474 -179.939 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 48.3 t -81.29 -62.17 1.73 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.821 0.343 . . . . 0.0 110.852 -179.698 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 35' ' ' ILE . . . . . 0.421 ' O ' ' HB2' ' A' ' 40' ' ' GLU . 1.2 mt -58.21 -14.47 3.84 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.087 179.972 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 3.3 mptt -121.32 11.01 10.69 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.866 179.87 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -148.55 -63.49 0.01 OUTLIER Glycine 0 N--CA 1.45 -0.387 0 C-N-CA 120.73 -0.747 . . . . 0.0 112.471 179.98 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 36.3 mt -73.9 -56.59 4.78 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 120.939 0.399 . . . . 0.0 110.928 -179.929 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -77.84 -18.88 55.8 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.134 179.942 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 40' ' ' GLU . . . . . 0.421 ' HB2' ' O ' ' A' ' 35' ' ' ILE . 0.3 OUTLIER -93.95 -25.32 17.32 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.884 179.965 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -101.04 -40.92 2.73 Favored Glycine 0 N--CA 1.451 -0.36 0 C-N-CA 120.759 -0.734 . . . . 0.0 112.516 -179.988 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 4.1 mt -90.84 -26.08 19.58 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-O 120.837 0.351 . . . . 0.0 110.97 -179.981 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 43' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -121.78 -6.1 9.1 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.818 179.906 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . -112.62 -22.29 5.8 Favored Glycine 0 N--CA 1.45 -0.369 0 C-N-CA 120.749 -0.739 . . . . 0.0 112.476 -179.927 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . 8.4 t80 -120.56 -24.09 5.89 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-O 120.917 0.389 . . . . 0.0 110.918 -179.921 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 46' ' ' HIS . . . . . . . . . . . . . 2.6 t-80 -96.63 -63.58 1.13 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.84 179.966 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 47' ' ' VAL . . . . . . . . . . . . . 47.7 t -70.83 -61.7 1.58 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.119 -179.999 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 48' ' ' HIS . . . . . . . . . . . . . 24.2 m170 -68.0 -22.97 64.97 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.858 179.93 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER . . . . . 0 C--N 1.329 -0.313 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.942 -179.85 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 22.9 t . . . . . 0 C--O 1.231 0.1 0 CA-C-O 120.781 0.324 . . . . 0.0 110.807 . . . . . . . . . 0 0 . 1 . 001 nuclear orig core ' A' A ' 99' ' ' ILE . . . . . . . . . . . . . 44.3 mt -57.15 -42.32 79.47 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.145 -0.48 . . . . 0.0 111.155 179.957 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 100' ' ' GLU . . . . . . . . . . . . . 13.8 mt-10 -69.93 -36.1 75.06 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.938 179.923 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 101' ' ' ASP . . . . . . . . . . . . . 3.1 t70 -77.22 -16.18 59.17 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.925 179.917 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 102' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -97.83 -39.71 8.88 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.775 -179.675 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 103' ' ' VAL . . . . . . . . . . . . . 8.3 p -64.95 -24.96 36.6 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.131 179.9 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 104' ' ' ILE . . . . . . . . . . . . . 44.2 mm -95.47 -29.03 3.98 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.164 179.921 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 105' ' ' SER . . . . . . . . . . . . . 5.6 m -79.63 -30.0 41.2 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.884 -179.953 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 106' ' ' LEU . . . . . . . . . . . . . 1.9 mm? -64.18 -42.86 96.5 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.95 179.944 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 107' ' ' SER . . . . . . . . . . . . . 63.5 p -100.44 -9.35 22.24 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.839 -179.938 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 108' ' ' GLY . . . . . . . . . . . . . . . -104.65 -1.94 43.28 Favored Glycine 0 N--CA 1.451 -0.355 0 C-N-CA 120.713 -0.756 . . . . 0.0 112.459 -179.995 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 109' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -135.84 9.43 3.32 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.865 0.364 . . . . 0.0 110.854 179.989 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 110' ' ' HIS . . . . . . . . . . . . . 10.5 t60 -131.75 -8.94 3.57 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.918 179.97 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 111' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -115.7 -35.11 4.62 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.883 -179.977 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 112' ' ' ILE . . . . . . . . . . . . . 13.1 tt -102.61 -40.83 7.26 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.095 -179.915 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 113' ' ' ILE . . . . . . . . . . . . . 9.1 mt -97.76 -58.83 3.57 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.165 179.868 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 114' ' ' GLY . . . . . . . . . . . . . . . -60.18 -19.16 51.17 Favored Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.763 -0.732 . . . . 0.0 112.461 179.847 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 115' ' ' ARG . . . . . . . . . . . . . 1.1 tmm_? -67.54 -57.15 7.0 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-O 120.92 0.391 . . . . 0.0 110.842 -179.802 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 116' ' ' THR . . . . . . . . . . . . . 9.0 t -72.3 -37.61 68.93 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.167 -0.469 . . . . 0.0 111.129 -179.88 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 117' ' ' LEU . . . . . . . . . . . . . 18.1 tp -62.98 -30.15 71.37 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.893 179.971 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 118' ' ' VAL . . . . . . . . . . . . . 72.8 t -97.63 -22.73 4.84 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.106 179.881 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 119' ' ' VAL . . . . . . . . . . . . . 2.3 t -74.79 -58.6 4.41 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.36 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.16 179.894 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 120' ' ' HIS . . . . . . . . . . . . . 3.5 m170 -120.85 -32.5 3.97 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.872 179.921 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 121' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 C--N 1.329 -0.299 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.873 -179.935 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 21.6 m . . . . . 0 C--O 1.231 0.112 0 CA-C-O 120.729 0.3 . . . . 0.0 111.047 . . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 4.3 tp60 -97.47 -49.7 4.8 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.898 -179.969 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -66.14 -35.37 90.39 Favored Glycine 0 N--CA 1.452 -0.241 0 C-N-CA 120.729 -0.748 . . . . 0.0 112.468 -179.939 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 61.4 mt -82.68 -21.2 9.43 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.353 0 CA-C-O 120.863 0.363 . . . . 0.0 111.18 -179.988 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 0.3 OUTLIER -64.35 -35.49 74.34 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 116.13 -0.486 . . . . 0.0 111.164 179.791 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 2.1 m-20 -94.99 -24.11 17.08 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.957 179.93 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 0.9 OUTLIER -81.64 -35.47 29.97 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.255 -0.429 . . . . 0.0 110.857 179.973 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 2.9 tt0 -85.29 -11.83 53.81 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.097 -0.502 . . . . 0.0 110.88 -179.854 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 48.0 mt-30 -99.86 -38.3 8.69 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.945 -179.914 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 4.5 mmpt? -78.93 -37.29 40.19 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.921 179.913 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 2.8 tt0 -86.07 9.87 15.98 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.919 179.937 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 3.6 m . . . . . 0 C--N 1.33 -0.282 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.854 -179.749 . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 5.5 mttp . . . . . 0 C--O 1.232 0.152 0 CA-C-O 120.784 0.326 . . . . 0.0 110.814 . . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 56.5 t -67.39 -11.3 13.71 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-N 116.244 -0.434 . . . . 0.0 111.118 179.955 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 32' ' ' TRP . . . . . . . . . . . . . 5.0 m95 -68.72 -7.45 33.75 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.941 179.902 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 134.48 13.4 1.29 Allowed Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.637 -0.792 . . . . 0.0 112.445 179.942 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 47.3 t -80.39 -63.36 1.43 Allowed 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 120.842 0.354 . . . . 0.0 110.883 -179.781 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 14.4 pt -57.55 -16.07 4.92 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.121 179.982 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -118.97 10.09 12.09 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.945 179.847 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -148.89 -67.79 0.01 OUTLIER Glycine 0 N--CA 1.45 -0.378 0 C-N-CA 120.778 -0.725 . . . . 0.0 112.517 179.953 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -69.79 -60.31 2.39 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.867 0.365 . . . . 0.0 110.944 -179.972 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -73.46 -19.81 60.86 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.151 179.952 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 40' ' ' GLU . . . . . 0.448 ' HA ' ' HA3' ' A' ' 44' ' ' GLY . 1.5 tt0 -91.21 -16.45 27.64 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.808 -179.971 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -107.69 -26.21 5.67 Favored Glycine 0 N--CA 1.45 -0.404 0 C-N-CA 120.779 -0.724 . . . . 0.0 112.584 179.991 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -91.93 -39.75 11.53 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-O 120.884 0.373 . . . . 0.0 110.94 -179.929 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 43' ' ' HIS . . . . . . . . . . . . . 1.4 t60 -119.54 -16.55 8.87 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.883 179.899 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 44' ' ' GLY . . . . . 0.448 ' HA3' ' HA ' ' A' ' 40' ' ' GLU . . . -100.75 18.16 55.38 Favored Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.693 -0.765 . . . . 0.0 112.473 -179.964 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . 5.1 t80 -172.62 -30.56 0.01 OUTLIER 'General case' 0 C--N 1.331 -0.228 0 CA-C-O 120.867 0.365 . . . . 0.0 110.863 -179.919 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 46' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -84.33 -52.52 6.14 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.811 179.998 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 47' ' ' VAL . . . . . . . . . . . . . 92.5 t -90.65 -28.19 4.94 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.129 -179.962 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 48' ' ' HIS . . . . . . . . . . . . . 40.3 m-70 -120.61 36.49 4.56 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.886 179.899 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 2.8 tt0 . . . . . 0 C--N 1.329 -0.309 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.916 -179.93 . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--O 1.232 0.145 0 CA-C-O 120.913 0.387 . . . . 0.0 110.882 . . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 99' ' ' ILE . . . . . . . . . . . . . 46.1 mm -51.86 -41.97 31.62 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.202 179.842 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 100' ' ' GLU . . . . . . . . . . . . . 1.2 mt-10 -69.57 -35.6 75.53 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.862 179.951 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 101' ' ' ASP . . . . . . . . . . . . . 6.5 t70 -77.3 -16.01 59.16 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.84 179.997 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 102' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -97.76 -41.18 8.19 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.847 -179.707 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 103' ' ' VAL . . . . . . . . . . . . . 7.5 p -62.47 -25.18 37.24 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-N 116.118 -0.492 . . . . 0.0 111.112 179.863 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 104' ' ' ILE . . . . . . . . . . . . . 82.9 mt -95.66 -33.1 4.6 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.09 179.985 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 105' ' ' SER . . . . . . . . . . . . . 20.2 m -75.97 -26.6 56.95 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.854 -179.89 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 106' ' ' LEU . . . . . . . . . . . . . 1.4 mm? -63.04 -44.52 95.64 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.064 -0.516 . . . . 0.0 110.852 -179.972 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 107' ' ' SER . . . . . . . . . . . . . 72.6 p -100.37 -9.64 22.03 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.822 -179.783 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 108' ' ' GLY . . . . . . . . . . . . . . . -102.51 -3.64 50.04 Favored Glycine 0 N--CA 1.451 -0.347 0 C-N-CA 120.672 -0.775 . . . . 0.0 112.495 179.964 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 109' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -133.84 13.88 3.99 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.854 0.359 . . . . 0.0 110.913 179.976 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 110' ' ' HIS . . . . . . . . . . . . . 22.2 t-80 -124.51 -17.47 6.01 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.895 179.952 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 111' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -116.32 -28.45 6.51 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.324 -0.398 . . . . 0.0 110.946 -179.982 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 112' ' ' ILE . . . . . . . . . . . . . 31.8 mm -101.09 -45.33 11.37 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.11 -0.495 . . . . 0.0 111.177 179.956 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 113' ' ' ILE . . . . . . . . . . . . . 32.7 mm -98.16 -57.79 4.24 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.361 0 CA-C-N 116.119 -0.491 . . . . 0.0 111.085 179.887 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 114' ' ' GLY . . . . . . . . . . . . . . . -60.39 -16.11 41.66 Favored Glycine 0 N--CA 1.452 -0.234 0 C-N-CA 120.828 -0.701 . . . . 0.0 112.365 179.958 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 115' ' ' ARG . . . . . . . . . . . . . 1.6 ttt180 -75.96 -30.1 58.51 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-O 121.002 0.429 . . . . 0.0 110.892 -179.812 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 116' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -102.41 -44.23 5.44 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.229 -179.952 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 117' ' ' LEU . . . . . . . . . . . . . 2.5 tt -59.2 -20.85 57.55 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.987 179.937 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 118' ' ' VAL . . . . . . . . . . . . . 84.9 t -101.87 -35.26 4.05 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.26 0 CA-C-N 116.068 -0.514 . . . . 0.0 111.113 179.789 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 119' ' ' VAL . . . . . . . . . . . . . 57.4 t -85.68 -63.65 1.21 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.022 179.991 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 120' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER -98.04 39.85 1.21 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.876 -179.976 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 121' ' ' GLU . . . . . . . . . . . . . 5.5 pt-20 . . . . . 0 C--N 1.329 -0.297 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.86 -179.878 . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 12.3 p . . . . . 0 C--O 1.23 0.077 0 CA-C-O 120.808 0.337 . . . . 0.0 111.15 . . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 1.4 tp60 -97.18 -36.83 10.33 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.932 -179.937 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -83.71 -28.77 34.23 Favored Glycine 0 C--N 1.333 0.371 0 C-N-CA 120.662 -0.78 . . . . 0.0 112.467 -179.963 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 87.0 mt -84.72 -30.58 7.0 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.349 0 CA-C-O 120.799 0.333 . . . . 0.0 111.093 -179.969 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 1.0 OUTLIER -64.05 -33.93 65.39 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.15 179.921 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 2.6 m-20 -93.52 -23.21 18.43 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.834 179.982 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 3.1 m-85 -82.91 -34.89 26.51 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.885 -179.942 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 3.6 tt0 -85.29 -12.58 52.03 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.117 -0.492 . . . . 0.0 111.022 179.958 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 64.0 mt-30 -98.9 -40.25 8.18 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.88 -179.894 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 9.5 mmpt? -70.7 -38.33 73.65 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.251 -0.432 . . . . 0.0 110.948 179.913 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 1.3 tt0 -86.61 7.06 27.94 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.101 -0.499 . . . . 0.0 110.941 179.977 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 3.8 m . . . . . 0 C--N 1.329 -0.29 0 CA-C-N 116.072 -0.513 . . . . 0.0 110.944 -179.836 . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 5.6 mttt . . . . . 0 C--O 1.232 0.179 0 CA-C-O 120.74 0.305 . . . . 0.0 110.799 . . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 8.4 p -54.49 -17.88 2.4 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-N 116.28 -0.418 . . . . 0.0 110.98 179.982 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 32' ' ' TRP . . . . . . . . . . . . . 59.0 t-105 -53.06 -56.43 16.21 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.933 -179.981 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -157.67 18.66 0.36 Allowed Glycine 0 N--CA 1.452 -0.269 0 C-N-CA 120.711 -0.757 . . . . 0.0 112.459 179.974 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 28.9 t -82.63 -61.6 1.84 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.838 0.352 . . . . 0.0 110.825 -179.7 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 1.1 mt -57.6 -15.53 4.22 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.175 179.939 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -120.47 12.41 11.59 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.928 179.83 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -150.44 -62.51 0.01 OUTLIER Glycine 0 N--CA 1.452 -0.254 0 C-N-CA 120.774 -0.727 . . . . 0.0 112.524 179.959 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 10.2 mt -74.01 -56.72 4.6 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-O 120.807 0.337 . . . . 0.0 110.851 -179.848 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -79.49 -17.99 52.97 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.144 179.963 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 5.0 tp10 -94.34 -28.14 15.71 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.002 179.923 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -100.25 -40.92 2.91 Favored Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.657 -0.782 . . . . 0.0 112.438 -179.972 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 3.4 mt -91.24 -25.48 19.48 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-O 120.859 0.361 . . . . 0.0 110.951 -179.968 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 43' ' ' HIS . . . . . . . . . . . . . 0.7 OUTLIER -121.91 -5.48 9.06 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.874 179.961 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . -113.67 -23.71 4.94 Favored Glycine 0 N--CA 1.452 -0.296 0 C-N-CA 120.714 -0.755 . . . . 0.0 112.395 -179.834 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . 9.4 t80 -122.21 -20.66 6.13 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.926 0.393 . . . . 0.0 110.933 -179.932 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 46' ' ' HIS . . . . . . . . . . . . . 3.3 t-80 -99.32 -39.64 8.31 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.857 -179.97 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 47' ' ' VAL . . . . . . . . . . . . . 78.6 t -97.61 -34.08 4.62 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.362 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.173 179.894 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 48' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER -103.38 -28.65 11.7 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.322 -0.399 . . . . 0.0 110.798 179.922 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 1.3 tp10 . . . . . 0 C--N 1.329 -0.32 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.796 -179.926 . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--O 1.233 0.218 0 CA-C-O 120.774 0.321 . . . . 0.0 110.767 . . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 99' ' ' ILE . . . . . . . . . . . . . 2.1 mp -57.19 -40.59 74.51 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.346 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.17 179.931 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 100' ' ' GLU . . . . . . . . . . . . . 1.8 mp0 -71.07 -39.42 72.2 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.081 -0.509 . . . . 0.0 110.875 179.926 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 101' ' ' ASP . . . . . . . . . . . . . 11.3 t70 -73.78 -16.34 61.16 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.928 179.955 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 102' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -97.64 -41.81 7.95 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.837 -179.765 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 103' ' ' VAL . . . . . . . . . . . . . 7.3 p -63.83 -23.97 34.65 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.222 179.868 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 104' ' ' ILE . . . . . . . . . . . . . 66.1 mt -95.67 -30.93 4.05 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-N 116.051 -0.522 . . . . 0.0 111.112 179.962 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 105' ' ' SER . . . . . . . . . . . . . 79.3 p -78.83 -28.85 44.42 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.853 -179.946 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 106' ' ' LEU . . . . . . . . . . . . . 12.0 tp -64.0 -43.61 95.12 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.865 -179.967 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 107' ' ' SER . . . . . . . . . . . . . 60.3 p -100.15 -9.61 22.34 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.868 -179.905 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 108' ' ' GLY . . . . . . . . . . . . . . . -103.85 -2.59 46.03 Favored Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 120.778 -0.725 . . . . 0.0 112.467 -179.9 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 109' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -135.6 13.11 3.46 Favored 'General case' 0 C--N 1.331 -0.209 0 CA-C-O 120.855 0.359 . . . . 0.0 110.769 -179.824 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 110' ' ' HIS . . . . . . . . . . . . . 9.3 t60 -131.55 -8.94 3.65 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.852 -179.945 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 111' ' ' CYS . . . . . . . . . . . . . 78.1 m -116.22 -33.19 5.08 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.866 -179.938 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 112' ' ' ILE . . . . . . . . . . . . . 6.6 tt -103.54 -41.44 7.25 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.24 -0.437 . . . . 0.0 111.022 -179.88 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 113' ' ' ILE . . . . . . . . . . . . . 4.7 mt -99.35 -59.6 3.19 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.224 -0.443 . . . . 0.0 111.062 179.938 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 114' ' ' GLY . . . . . . . . . . . . . . . -60.67 -24.4 62.09 Favored Glycine 0 N--CA 1.451 -0.334 0 C-N-CA 120.803 -0.713 . . . . 0.0 112.472 179.971 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 115' ' ' ARG . . . . . . . . . . . . . 3.4 tmt_? -74.59 -13.32 60.64 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.844 0.354 . . . . 0.0 110.778 -179.797 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 116' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -102.96 -33.25 9.37 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.317 -0.401 . . . . 0.0 111.104 -179.899 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 117' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -88.64 -29.02 20.26 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.3 -0.409 . . . . 0.0 110.846 -179.989 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 118' ' ' VAL . . . . . . . . . . . . . 9.3 t -102.83 -64.43 1.56 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.101 -0.5 . . . . 0.0 111.156 179.845 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 119' ' ' VAL . . . . . . . . . . . . . 2.3 t -64.45 -31.06 51.99 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.255 0 CA-C-N 116.116 -0.493 . . . . 0.0 111.101 179.995 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 120' ' ' HIS . . . . . . . . . . . . . 0.5 OUTLIER -120.31 38.0 4.1 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.765 179.941 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 121' ' ' GLU . . . . . . . . . . . . . 45.3 tt0 . . . . . 0 C--N 1.328 -0.341 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.924 -179.991 . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 31.4 m . . . . . 0 C--O 1.231 0.105 0 CA-C-O 120.76 0.314 . . . . 0.0 111.11 . . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 37.0 tp60 -97.72 -49.59 4.78 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.913 179.999 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -66.14 -35.08 89.99 Favored Glycine 0 N--CA 1.449 -0.454 0 C-N-CA 120.748 -0.739 . . . . 0.0 112.505 -179.944 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 61.1 mt -82.85 -21.42 9.19 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.256 0 CA-C-O 120.824 0.345 . . . . 0.0 111.119 -179.941 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 0.3 OUTLIER -64.66 -35.13 73.99 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.253 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.213 179.767 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 5.5 m-20 -94.73 -23.7 17.44 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.873 179.919 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 0.9 OUTLIER -82.88 -33.38 26.97 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.83 -179.921 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 2.0 tt0 -83.49 -14.03 53.3 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.837 -179.887 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -100.37 -33.41 10.39 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.898 -179.974 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 76.4 mttt -84.0 -37.76 21.79 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.288 -0.415 . . . . 0.0 110.934 179.91 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 4.5 tt0 -85.95 9.98 15.35 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.822 -179.964 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 3.9 m . . . . . 0 C--N 1.33 -0.261 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.783 -179.747 . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 7.9 mttp . . . . . 0 C--O 1.231 0.11 0 CA-C-O 120.766 0.317 . . . . 0.0 110.856 . . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 65.0 t -60.99 -15.8 12.82 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.29 -0.414 . . . . 0.0 111.147 179.896 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 32' ' ' TRP . . . . . . . . . . . . . 0.0 OUTLIER -64.94 -57.8 7.8 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.055 179.958 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -158.74 15.76 0.25 Allowed Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.707 -0.759 . . . . 0.0 112.468 179.843 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 23.3 t -82.56 -63.38 1.38 Allowed 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 120.791 0.329 . . . . 0.0 110.82 -179.747 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 35' ' ' ILE . . . . . 0.425 ' O ' ' HB2' ' A' ' 40' ' ' GLU . 15.3 pt -57.26 -14.87 2.81 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 116.101 -0.5 . . . . 0.0 111.123 179.936 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -121.17 10.91 10.77 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.916 179.888 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -148.39 -63.49 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.717 -0.754 . . . . 0.0 112.509 179.874 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 75.8 mt -74.46 -56.41 4.88 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.953 0.406 . . . . 0.0 110.904 -179.895 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -77.56 -18.0 57.34 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.132 -0.485 . . . . 0.0 111.213 179.809 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 40' ' ' GLU . . . . . 0.425 ' HB2' ' O ' ' A' ' 35' ' ' ILE . 0.3 OUTLIER -94.82 -25.69 16.52 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.288 -0.415 . . . . 0.0 110.867 -179.986 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -101.6 -40.12 2.81 Favored Glycine 0 N--CA 1.45 -0.396 0 C-N-CA 120.789 -0.72 . . . . 0.0 112.499 -179.917 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 5.3 mt -90.53 -27.02 19.45 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-O 120.749 0.309 . . . . 0.0 110.89 -179.991 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 43' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -120.21 -11.34 9.22 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.799 179.898 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . -106.2 -24.06 7.03 Favored Glycine 0 N--CA 1.451 -0.354 0 C-N-CA 120.77 -0.728 . . . . 0.0 112.518 -179.936 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . 18.7 t80 -122.64 -15.2 7.58 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.944 0.402 . . . . 0.0 110.897 -179.894 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 46' ' ' HIS . . . . . . . . . . . . . 0.6 OUTLIER -103.13 -50.79 3.4 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.862 179.95 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 47' ' ' VAL . . . . . . . . . . . . . 89.7 t -83.9 -61.75 1.67 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.17 179.993 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 48' ' ' HIS . . . . . . . . . . . . . 16.8 m80 -73.76 -55.41 6.27 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.872 179.92 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 C--N 1.33 -0.276 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.823 -179.946 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 7.1 t . . . . . 0 C--O 1.232 0.14 0 CA-C-O 120.653 0.263 . . . . 0.0 110.75 . . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A ' 99' ' ' ILE . . . . . . . . . . . . . 48.2 mt -51.99 -42.77 34.99 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.365 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.179 179.876 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 100' ' ' GLU . . . . . . . . . . . . . 7.6 mt-10 -68.47 -35.97 78.3 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.884 -179.984 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 101' ' ' ASP . . . . . . . . . . . . . 6.5 t70 -76.96 -16.53 59.32 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.878 179.908 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 102' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -97.54 -36.31 10.35 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.298 -0.41 . . . . 0.0 110.953 -179.818 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 103' ' ' VAL . . . . . . . . . . . . . 8.6 p -69.86 -24.43 26.67 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.26 0 CA-C-N 116.029 -0.532 . . . . 0.0 111.196 179.963 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 104' ' ' ILE . . . . . . . . . . . . . 46.8 mm -95.54 -26.06 4.35 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.084 -0.507 . . . . 0.0 111.146 179.906 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 105' ' ' SER . . . . . . . . . . . . . 62.1 p -87.03 -23.13 25.08 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.839 -179.903 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 106' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -85.82 -37.76 18.88 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.123 -0.49 . . . . 0.0 111.0 -179.94 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 107' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -98.28 -37.1 9.79 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 116.05 -0.523 . . . . 0.0 110.893 -179.97 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 108' ' ' GLY . . . . . . . . . . . . . . . -78.22 0.37 74.32 Favored Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.656 -0.783 . . . . 0.0 112.499 179.984 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 109' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -133.96 18.62 3.8 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.912 0.387 . . . . 0.0 110.95 179.995 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 110' ' ' HIS . . . . . . . . . . . . . 15.5 t60 -119.57 -39.5 2.87 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.84 -179.941 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 111' ' ' CYS . . . . . 0.551 ' O ' ' N ' ' A' ' 115' ' ' ARG . 1.6 p -118.27 -51.46 2.42 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.886 -179.87 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 112' ' ' ILE . . . . . . . . . . . . . 51.2 mm -46.96 -25.7 0.67 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.107 -0.497 . . . . 0.0 111.108 -179.946 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 113' ' ' ILE . . . . . . . . . . . . . 61.5 mt -100.94 -49.25 11.13 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.115 179.919 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 114' ' ' GLY . . . . . . . . . . . . . . . -82.1 -46.97 6.36 Favored Glycine 0 N--CA 1.452 -0.255 0 C-N-CA 120.758 -0.734 . . . . 0.0 112.448 179.887 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 115' ' ' ARG . . . . . 0.551 ' N ' ' O ' ' A' ' 111' ' ' CYS . 1.6 tmm_? -50.21 -25.33 3.53 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-O 120.881 0.372 . . . . 0.0 110.781 -179.771 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 116' ' ' THR . . . . . . . . . . . . . 9.7 t -100.83 -40.98 7.04 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.288 -0.415 . . . . 0.0 111.223 -179.926 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 117' ' ' LEU . . . . . . . . . . . . . 7.7 tt -65.59 -19.08 65.77 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.954 179.866 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 118' ' ' VAL . . . . . . . . . . . . . 60.2 t -102.34 -44.25 10.08 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.148 179.789 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 119' ' ' VAL . . . . . . . . . . . . . 88.2 t -79.36 -59.67 2.8 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.117 179.911 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 120' ' ' HIS . . . . . . . . . . . . . 32.6 m170 -98.79 39.07 1.29 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.866 179.936 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 121' ' ' GLU . . . . . . . . . . . . . 35.4 tt0 . . . . . 0 C--N 1.329 -0.293 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.965 180.0 . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 22.7 m . . . . . 0 CA--C 1.523 -0.062 0 CA-C-O 120.87 0.367 . . . . 0.0 111.222 . . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 46.3 tp60 -96.65 -42.52 7.99 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.955 -179.959 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -73.75 -29.37 63.42 Favored Glycine 0 N--CA 1.45 -0.383 0 C-N-CA 120.782 -0.723 . . . . 0.0 112.486 -179.984 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 5.0 tp -84.55 -27.64 6.9 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 CA-C-O 120.742 0.306 . . . . 0.0 111.031 -179.889 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 0.8 OUTLIER -63.57 -34.55 68.32 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.127 179.853 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 2.0 m-20 -94.93 -24.1 17.13 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.875 179.947 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 3.1 m-85 -81.06 -36.09 30.94 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.926 -179.989 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 1.1 tp10 -85.78 -11.33 53.77 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.872 -179.955 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 4.5 tp60 -99.82 -38.63 8.57 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.865 -179.838 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 7.2 mmtm -80.59 -33.01 36.33 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.933 179.951 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 5.2 tt0 -89.26 8.75 28.81 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.224 -0.443 . . . . 0.0 110.973 179.883 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 4.7 m . . . . . 0 C--N 1.329 -0.313 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.896 -179.808 . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 25.5 ttmt . . . . . 0 C--O 1.231 0.12 0 CA-C-O 120.793 0.33 . . . . 0.0 110.917 . . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 99.2 t -60.45 -20.96 21.88 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.111 179.97 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 32' ' ' TRP . . . . . . . . . . . . . 4.6 t-105 -55.94 -57.75 10.77 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.949 179.965 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -165.13 18.5 0.1 Allowed Glycine 0 N--CA 1.451 -0.342 0 C-N-CA 120.781 -0.724 . . . . 0.0 112.504 179.964 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 48.2 t -82.74 -64.15 1.23 Allowed 'General case' 0 C--N 1.328 -0.368 0 CA-C-O 120.791 0.329 . . . . 0.0 110.832 -179.661 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 15.6 pt -57.69 -15.52 4.38 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.161 179.842 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -119.84 14.53 12.5 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.862 179.857 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -154.98 -62.26 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 120.795 -0.717 . . . . 0.0 112.403 179.947 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 3.6 tp -71.42 -56.93 4.98 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-O 120.865 0.364 . . . . 0.0 110.915 -179.836 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 3.9 m -82.78 -16.39 48.08 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.057 -0.519 . . . . 0.0 111.133 179.956 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -93.86 -27.4 16.44 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.28 -0.418 . . . . 0.0 110.893 179.993 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -100.4 -40.19 3.05 Favored Glycine 0 N--CA 1.452 -0.273 0 C-N-CA 120.699 -0.762 . . . . 0.0 112.479 179.965 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 5.0 mt -91.71 -25.88 18.87 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.803 0.335 . . . . 0.0 110.884 -179.941 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 43' ' ' HIS . . . . . . . . . . . . . 0.9 OUTLIER -121.89 -5.08 9.08 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.284 -0.416 . . . . 0.0 110.768 179.958 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . -114.1 -22.72 5.16 Favored Glycine 0 N--CA 1.45 -0.37 0 C-N-CA 120.817 -0.706 . . . . 0.0 112.515 -179.948 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . 12.0 t80 -121.13 -20.61 6.72 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 120.946 0.403 . . . . 0.0 110.926 -179.91 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 46' ' ' HIS . . . . . . . . . . . . . 8.3 t-80 -101.68 -34.92 9.28 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.873 179.921 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 47' ' ' VAL . . . . . . . . . . . . . 92.7 t -101.67 -23.48 4.37 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.115 179.988 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 48' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER -117.13 -27.07 6.59 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.86 179.981 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 32.7 mt-10 . . . . . 0 C--N 1.33 -0.277 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.846 -179.898 . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--O 1.233 0.196 0 CA-C-O 120.836 0.35 . . . . 0.0 110.858 . . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 99' ' ' ILE . . . . . . . . . . . . . 0.9 OUTLIER -50.83 -42.84 23.81 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.132 179.948 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 100' ' ' GLU . . . . . . . . . . . . . 1.2 mt-10 -64.53 -30.8 71.83 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.849 179.941 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 101' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -86.6 -16.04 37.95 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.861 -179.971 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 102' ' ' SER . . . . . . . . . . . . . 1.5 t -94.61 -36.47 11.78 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.829 -179.7 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 103' ' ' VAL . . . . . . . . . . . . . 92.9 t -74.85 -23.33 17.54 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.233 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.129 179.947 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 104' ' ' ILE . . . . . . . . . . . . . 83.6 mt -94.8 -26.92 4.3 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.326 0 CA-C-N 116.281 -0.418 . . . . 0.0 111.084 179.897 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 105' ' ' SER . . . . . . . . . . . . . 30.8 t -87.42 -21.26 25.69 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.899 -179.905 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 106' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -86.17 -39.1 17.0 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.842 -179.994 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 107' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -98.44 -34.18 10.74 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.799 -179.805 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 108' ' ' GLY . . . . . . . . . . . . . . . -81.06 2.99 78.95 Favored Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.78 -0.724 . . . . 0.0 112.557 179.939 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 109' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -133.6 6.44 3.76 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 120.822 0.344 . . . . 0.0 110.836 179.993 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 110' ' ' HIS . . . . . . . . . . . . . 46.7 t60 -124.79 -18.25 5.64 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.835 -179.931 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 111' ' ' CYS . . . . . . . . . . . . . 3.1 t -116.09 -29.5 6.28 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.895 -179.868 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 112' ' ' ILE . . . . . . . . . . . . . 64.3 mt -100.64 -43.66 10.8 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.348 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.194 -179.996 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 113' ' ' ILE . . . . . . . . . . . . . 46.1 mt -98.23 -58.18 3.99 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.119 179.868 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 114' ' ' GLY . . . . . . . . . . . . . . . -58.46 -26.0 58.82 Favored Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.753 -0.737 . . . . 0.0 112.477 179.846 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 115' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -60.17 -59.04 6.04 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.877 0.37 . . . . 0.0 110.91 -179.855 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 116' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -71.41 -16.15 62.39 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.132 -179.923 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 117' ' ' LEU . . . . . . . . . . . . . 4.5 tt -84.66 -29.17 25.9 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.953 179.921 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 118' ' ' VAL . . . . . . . . . . . . . 15.5 m -99.73 -29.53 3.35 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.179 179.811 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 119' ' ' VAL . . . . . . . . . . . . . 7.5 t -61.06 -71.08 0.12 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.117 -0.492 . . . . 0.0 111.037 179.958 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 120' ' ' HIS . . . . . . . . . . . . . 33.9 m170 -133.48 -35.26 1.01 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.902 -180.0 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 121' ' ' GLU . . . . . . . . . . . . . 5.2 tt0 . . . . . 0 C--N 1.33 -0.27 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.943 -179.921 . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.232 0.153 0 CA-C-O 120.817 0.342 . . . . 0.0 111.111 . . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER 178.92 -38.28 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.159 -179.854 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -167.57 24.12 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.87 179.876 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -87.31 -20.19 27.16 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.258 -0.428 . . . . 0.0 111.124 179.817 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 24.9 t -118.89 -47.68 3.49 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.103 -179.991 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 6' ' ' CYS . . . . . 0.428 ' O ' ' C ' ' A' ' 7' ' ' VAL . 2.4 t -176.16 79.49 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.911 -179.945 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 7' ' ' VAL . . . . . 0.428 ' C ' ' O ' ' A' ' 6' ' ' CYS . 14.4 m 35.21 57.95 0.15 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.141 -179.974 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -60.92 -18.31 56.05 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.917 179.992 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 2.6 tppp? -93.44 -1.92 55.17 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.91 179.798 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -139.52 50.4 0.78 Allowed Glycine 0 N--CA 1.451 -0.355 0 C-N-CA 120.808 -0.711 . . . . 0.0 112.483 179.929 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 3.4 m-20 -137.73 21.97 2.89 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-O 120.829 0.347 . . . . 0.0 110.909 179.941 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 12' ' ' GLY . . . . . 0.527 ' N ' ' CD ' ' A' ' 13' ' ' PRO . . . 61.36 47.01 93.21 Favored Glycine 0 N--CA 1.452 -0.292 0 C-N-CA 120.695 -0.764 . . . . 0.0 112.531 -179.953 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 13' ' ' PRO . . . . . 0.527 ' CD ' ' N ' ' A' ' 12' ' ' GLY . 53.5 Cg_endo -69.77 -56.5 0.14 Allowed 'Trans proline' 0 C--N 1.342 0.213 0 C-N-CA 122.645 2.23 . . . . 0.0 112.313 -179.924 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 32.8 m -90.87 -17.31 7.86 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.13 179.966 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 11.3 tp60 -97.64 -49.34 4.89 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.872 -179.96 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -66.37 -33.91 86.33 Favored Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.689 -0.767 . . . . 0.0 112.488 -179.953 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 61.7 mt -83.54 -22.81 8.3 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.347 0 CA-C-O 120.824 0.345 . . . . 0.0 111.189 179.943 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 0.3 OUTLIER -64.77 -36.99 79.02 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.354 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.08 179.893 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 1.0 OUTLIER -94.68 -23.12 17.72 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.911 179.903 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 3.4 m-85 -81.8 -35.89 29.01 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.918 179.998 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 61.2 tt0 -85.39 -11.0 55.54 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.914 -179.951 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 67.7 mt-30 -100.65 -36.12 9.25 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.895 -179.912 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 5.0 mmtm -82.19 -35.27 28.49 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.857 -179.985 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 9.2 tt0 -82.73 0.99 40.99 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.876 -179.975 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 2.1 m -117.55 3.71 12.42 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.75 -179.79 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 28.2 m-80 -141.61 -38.3 0.4 Allowed 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.897 -179.967 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 27' ' ' GLY . . . . . 0.442 ' C ' ' H ' ' A' ' 29' ' ' VAL . . . -57.69 -80.83 0.08 OUTLIER Glycine 0 N--CA 1.451 -0.306 0 C-N-CA 120.775 -0.726 . . . . 0.0 112.434 -179.988 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.72 9.9 0.54 Allowed 'Trans proline' 0 C--O 1.231 0.173 0 C-N-CA 122.781 2.321 . . . . 0.0 112.294 -179.913 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 29' ' ' VAL . . . . . 0.442 ' H ' ' C ' ' A' ' 27' ' ' GLY . 21.9 t -108.87 -44.36 6.42 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.129 179.947 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -103.44 -40.01 6.54 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.911 179.898 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 11.5 t -69.07 -12.82 16.51 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.176 179.836 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 32' ' ' TRP . . . . . . . . . . . . . 0.9 OUTLIER -130.88 36.57 3.87 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.097 -0.502 . . . . 0.0 110.969 179.982 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -178.64 -38.99 0.06 OUTLIER Glycine 0 N--CA 1.452 -0.255 0 C-N-CA 120.733 -0.746 . . . . 0.0 112.474 -179.939 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 48.3 t -81.29 -62.17 1.73 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.821 0.343 . . . . 0.0 110.852 -179.698 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 35' ' ' ILE . . . . . 0.421 ' O ' ' HB2' ' A' ' 40' ' ' GLU . 1.2 mt -58.21 -14.47 3.84 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.087 179.972 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 3.3 mptt -121.32 11.01 10.69 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.866 179.87 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -148.55 -63.49 0.01 OUTLIER Glycine 0 N--CA 1.45 -0.387 0 C-N-CA 120.73 -0.747 . . . . 0.0 112.471 179.98 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 36.3 mt -73.9 -56.59 4.78 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 120.939 0.399 . . . . 0.0 110.928 -179.929 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -77.84 -18.88 55.8 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.134 179.942 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 40' ' ' GLU . . . . . 0.421 ' HB2' ' O ' ' A' ' 35' ' ' ILE . 0.3 OUTLIER -93.95 -25.32 17.32 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.884 179.965 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -101.04 -40.92 2.73 Favored Glycine 0 N--CA 1.451 -0.36 0 C-N-CA 120.759 -0.734 . . . . 0.0 112.516 -179.988 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 4.1 mt -90.84 -26.08 19.58 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-O 120.837 0.351 . . . . 0.0 110.97 -179.981 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 43' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -121.78 -6.1 9.1 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.818 179.906 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . -112.62 -22.29 5.8 Favored Glycine 0 N--CA 1.45 -0.369 0 C-N-CA 120.749 -0.739 . . . . 0.0 112.476 -179.927 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . 8.4 t80 -120.56 -24.09 5.89 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-O 120.917 0.389 . . . . 0.0 110.918 -179.921 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 46' ' ' HIS . . . . . . . . . . . . . 2.6 t-80 -96.63 -63.58 1.13 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.84 179.966 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 47' ' ' VAL . . . . . . . . . . . . . 47.7 t -70.83 -61.7 1.58 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.119 -179.999 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 48' ' ' HIS . . . . . . . . . . . . . 24.2 m170 -68.0 -22.97 64.97 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.858 179.93 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER 54.37 39.72 31.17 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.942 -179.85 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 50' ' ' PHE . . . . . . . . . . . . . 0.3 OUTLIER 60.09 22.16 11.38 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.88 -179.873 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . -174.72 -90.92 0.08 OUTLIER Glycine 0 N--CA 1.451 -0.3 0 C-N-CA 120.747 -0.74 . . . . 0.0 112.503 -179.94 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 4.1 m-20 -151.68 60.89 0.87 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.787 0.327 . . . . 0.0 110.8 -179.977 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 53' ' ' ASN . . . . . . . . . . . . . 4.0 m120 68.96 -72.8 0.1 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.916 -179.925 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 54' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -159.84 22.8 0.17 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.2 -179.961 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . 49.19 32.02 3.96 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.104 179.945 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . -128.35 -32.07 0.64 Allowed Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.776 -0.726 . . . . 0.0 112.522 179.971 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 57' ' ' CYS . . . . . . . . . . . . . 33.5 m -131.7 24.12 4.69 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-O 120.859 0.361 . . . . 0.0 110.852 -179.917 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 58' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -165.98 24.93 0.05 OUTLIER 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.116 -179.914 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -171.87 -36.39 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.867 -179.878 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -136.4 34.46 2.75 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.092 179.863 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . -87.84 -166.09 42.02 Favored Glycine 0 N--CA 1.452 -0.271 0 C-N-CA 120.726 -0.75 . . . . 0.0 112.47 179.993 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 62' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.78 79.18 0.97 Allowed 'Trans proline' 0 C--N 1.342 0.186 0 C-N-CA 122.694 2.263 . . . . 0.0 112.357 -179.944 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 63' ' ' HIS . . . . . . . . . . . . . 11.1 p-80 -178.8 128.69 0.11 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.84 179.929 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 64' ' ' PHE . . . . . . . . . . . . . 26.3 m-85 -95.69 14.33 23.46 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.844 -179.94 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 65' ' ' ASN . . . . . . . . . . . . . 11.0 p-10 -163.42 80.94 1.54 Allowed Pre-proline 0 C--N 1.329 -0.298 0 CA-C-O 121.607 0.718 . . . . 0.0 110.89 -179.983 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 66' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.69 -52.31 0.34 Allowed 'Trans proline' 0 C--O 1.232 0.199 0 C-N-CA 122.663 2.242 . . . . 0.0 112.344 179.949 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 6.9 tp -151.7 41.51 0.69 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.935 -179.991 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 8.3 t 44.33 43.39 6.0 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.902 -179.905 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 69' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER 179.98 -31.19 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.905 -179.943 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 73.75 52.17 0.11 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.945 179.987 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 71' ' ' HIS . . . . . . . . . . . . . 1.8 t-80 55.67 101.73 0.01 OUTLIER 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.874 179.925 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . 89.57 -41.01 3.01 Favored Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.793 -0.717 . . . . 0.0 112.574 -179.882 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . 118.06 -80.5 0.31 Allowed Glycine 0 N--CA 1.45 -0.381 0 C-N-CA 120.735 -0.745 . . . . 0.0 112.495 -179.988 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 74' ' ' PRO . . . . . . . . . . . . . 53.2 Cg_endo -69.79 -170.95 0.43 Allowed 'Trans proline' 0 C--N 1.342 0.205 0 C-N-CA 122.662 2.241 . . . . 0.0 112.312 -179.922 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 65.39 152.56 0.06 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.958 179.889 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 3.3 m-20 54.1 31.78 14.45 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 116.287 -0.415 . . . . 0.0 110.822 179.846 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 12.3 pt-20 -171.27 -41.15 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.896 -179.899 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 1.8 mm-40 -103.39 -57.7 2.0 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.906 -179.891 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 79' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -85.61 4.93 34.04 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.869 -179.923 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 80' ' ' HIS . . . . . . . . . . . . . 1.7 t-160 -98.74 -23.31 15.47 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.85 -179.933 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 81' ' ' VAL . . . . . . . . . . . . . 0.0 OUTLIER -167.05 37.63 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.114 -179.987 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . -55.31 -20.35 21.75 Favored Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.694 -0.765 . . . . 0.0 112.5 179.995 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 83' ' ' ASP . . . . . . . . . . . . . 3.8 m-20 66.06 38.24 4.89 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.851 0.358 . . . . 0.0 110.864 -179.978 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 84' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -170.04 28.87 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.894 -179.998 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . 165.49 -12.1 0.07 OUTLIER Glycine 0 N--CA 1.452 -0.253 0 C-N-CA 120.705 -0.76 . . . . 0.0 112.464 179.929 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 86' ' ' ASN . . . . . . . . . . . . . 3.1 t-20 -110.3 -25.55 10.06 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.912 0.387 . . . . 0.0 110.905 -179.877 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 87' ' ' VAL . . . . . . . . . . . . . 7.1 p -119.09 13.66 6.91 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.24 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.171 179.874 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 88' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -139.34 -42.15 0.46 Allowed 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.129 -179.988 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -52.89 -34.6 55.53 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.263 -0.426 . . . . 0.0 111.054 179.895 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 90' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -110.67 3.89 19.66 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.855 -179.968 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 91' ' ' LYS . . . . . . . . . . . . . 46.6 tptt -120.04 -77.07 0.58 Allowed 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.811 179.998 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 92' ' ' ASP . . . . . . . . . . . . . 18.2 m-20 -49.07 -39.44 27.71 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.297 -0.41 . . . . 0.0 110.834 179.971 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . -50.72 -17.91 2.37 Favored Glycine 0 N--CA 1.451 -0.356 0 C-N-CA 120.774 -0.727 . . . . 0.0 112.518 -179.949 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 94' ' ' VAL . . . . . . . . . . . . . 0.6 OUTLIER -127.21 -24.57 1.51 Allowed 'Isoleucine or valine' 0 C--N 1.331 -0.225 0 CA-C-O 120.838 0.352 . . . . 0.0 111.123 -179.972 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . -111.04 32.56 5.19 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.127 179.866 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 96' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -177.86 -27.21 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.946 179.939 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 97' ' ' VAL . . . . . . . . . . . . . 4.3 t -116.97 22.19 5.94 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.187 -0.461 . . . . 0.0 111.046 -179.982 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 22.9 t -140.94 -43.18 0.39 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.807 -179.838 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 99' ' ' ILE . . . . . . . . . . . . . 44.3 mt -57.15 -42.32 79.47 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.145 -0.48 . . . . 0.0 111.155 179.957 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 100' ' ' GLU . . . . . . . . . . . . . 13.8 mt-10 -69.93 -36.1 75.06 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.938 179.923 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 101' ' ' ASP . . . . . . . . . . . . . 3.1 t70 -77.22 -16.18 59.17 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.925 179.917 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 102' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -97.83 -39.71 8.88 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.775 -179.675 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 103' ' ' VAL . . . . . . . . . . . . . 8.3 p -64.95 -24.96 36.6 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.131 179.9 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 104' ' ' ILE . . . . . . . . . . . . . 44.2 mm -95.47 -29.03 3.98 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.164 179.921 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 105' ' ' SER . . . . . . . . . . . . . 5.6 m -79.63 -30.0 41.2 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.884 -179.953 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 106' ' ' LEU . . . . . . . . . . . . . 1.9 mm? -64.18 -42.86 96.5 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.95 179.944 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 107' ' ' SER . . . . . . . . . . . . . 63.5 p -100.44 -9.35 22.24 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.839 -179.938 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 108' ' ' GLY . . . . . . . . . . . . . . . -104.65 -1.94 43.28 Favored Glycine 0 N--CA 1.451 -0.355 0 C-N-CA 120.713 -0.756 . . . . 0.0 112.459 -179.995 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 109' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -135.84 9.43 3.32 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.865 0.364 . . . . 0.0 110.854 179.989 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 110' ' ' HIS . . . . . . . . . . . . . 10.5 t60 -131.75 -8.94 3.57 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.918 179.97 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 111' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -115.7 -35.11 4.62 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.883 -179.977 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 112' ' ' ILE . . . . . . . . . . . . . 13.1 tt -102.61 -40.83 7.26 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.095 -179.915 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 113' ' ' ILE . . . . . . . . . . . . . 9.1 mt -97.76 -58.83 3.57 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.165 179.868 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 114' ' ' GLY . . . . . . . . . . . . . . . -60.18 -19.16 51.17 Favored Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.763 -0.732 . . . . 0.0 112.461 179.847 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 115' ' ' ARG . . . . . . . . . . . . . 1.1 tmm_? -67.54 -57.15 7.0 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-O 120.92 0.391 . . . . 0.0 110.842 -179.802 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 116' ' ' THR . . . . . . . . . . . . . 9.0 t -72.3 -37.61 68.93 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.167 -0.469 . . . . 0.0 111.129 -179.88 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 117' ' ' LEU . . . . . . . . . . . . . 18.1 tp -62.98 -30.15 71.37 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.893 179.971 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 118' ' ' VAL . . . . . . . . . . . . . 72.8 t -97.63 -22.73 4.84 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.106 179.881 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 119' ' ' VAL . . . . . . . . . . . . . 2.3 t -74.79 -58.6 4.41 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.36 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.16 179.894 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 120' ' ' HIS . . . . . . . . . . . . . 3.5 m170 -120.85 -32.5 3.97 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.872 179.921 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 121' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER 71.29 1.94 4.05 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.873 -179.935 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 122' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -64.47 -64.88 0.76 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.964 179.965 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 123' ' ' ALA . . . . . . . . . . . . . . . 179.87 -32.32 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.154 179.817 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 124' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -159.92 178.47 9.72 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.842 179.987 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 125' ' ' ASP . . . . . . . . . . . . . 18.6 p-10 . . . . . 0 C--N 1.329 -0.299 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.797 -179.948 . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.231 0.13 0 CA-C-O 120.823 0.345 . . . . 0.0 111.117 . . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 1.8 t 179.09 -32.86 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.17 -179.892 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 179.73 31.56 0.0 OUTLIER 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.851 179.997 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -76.82 -12.86 60.03 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.267 -0.424 . . . . 0.0 111.136 179.817 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 81.3 t -117.35 -50.83 4.33 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.094 179.948 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 1.8 t -177.67 77.54 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.884 179.993 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 12.2 t 39.68 55.66 0.26 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.045 -179.98 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 2.1 pp -65.87 -14.22 61.07 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-N 116.3 -0.409 . . . . 0.0 110.829 179.993 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -93.31 -2.03 55.35 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.894 179.763 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -142.47 52.8 0.64 Allowed Glycine 0 N--CA 1.451 -0.346 0 C-N-CA 120.791 -0.718 . . . . 0.0 112.525 -179.991 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -138.14 20.17 2.8 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-O 120.858 0.361 . . . . 0.0 110.897 -179.957 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 12' ' ' GLY . . . . . 0.542 ' N ' ' CD ' ' A' ' 13' ' ' PRO . . . 61.44 46.44 94.35 Favored Glycine 0 N--CA 1.452 -0.293 0 C-N-CA 120.757 -0.735 . . . . 0.0 112.486 -179.939 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 13' ' ' PRO . . . . . 0.542 ' CD ' ' N ' ' A' ' 12' ' ' GLY . 53.3 Cg_endo -69.86 -56.23 0.15 Allowed 'Trans proline' 0 C--O 1.231 0.167 0 C-N-CA 122.632 2.221 . . . . 0.0 112.265 -179.91 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 21.6 m -91.03 -17.58 7.73 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.342 -0.39 . . . . 0.0 111.047 -179.999 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 4.3 tp60 -97.47 -49.7 4.8 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.898 -179.969 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -66.14 -35.37 90.39 Favored Glycine 0 N--CA 1.452 -0.241 0 C-N-CA 120.729 -0.748 . . . . 0.0 112.468 -179.939 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 61.4 mt -82.68 -21.2 9.43 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.353 0 CA-C-O 120.863 0.363 . . . . 0.0 111.18 -179.988 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 0.3 OUTLIER -64.35 -35.49 74.34 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 116.13 -0.486 . . . . 0.0 111.164 179.791 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 2.1 m-20 -94.99 -24.11 17.08 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.957 179.93 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 0.9 OUTLIER -81.64 -35.47 29.97 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.255 -0.429 . . . . 0.0 110.857 179.973 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 2.9 tt0 -85.29 -11.83 53.81 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.097 -0.502 . . . . 0.0 110.88 -179.854 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 48.0 mt-30 -99.86 -38.3 8.69 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.945 -179.914 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 4.5 mmpt? -78.93 -37.29 40.19 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.921 179.913 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 2.8 tt0 -86.07 9.87 15.98 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.919 179.937 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 3.6 m -118.4 12.9 13.46 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.854 -179.749 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 0.3 OUTLIER -173.63 -35.52 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.946 -179.909 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 27' ' ' GLY . . . . . 0.403 ' C ' ' H ' ' A' ' 29' ' ' VAL . . . -65.26 -120.63 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.355 0 C-N-CA 120.69 -0.767 . . . . 0.0 112.545 -179.992 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 52.8 Cg_endo -69.96 45.44 0.48 Allowed 'Trans proline' 0 C--O 1.232 0.183 0 C-N-CA 122.733 2.289 . . . . 0.0 112.237 -179.886 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 29' ' ' VAL . . . . . 0.403 ' H ' ' C ' ' A' ' 27' ' ' GLY . 80.0 t -142.19 -41.02 0.19 Allowed 'Isoleucine or valine' 0 C--N 1.327 -0.372 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.185 179.883 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 5.5 mttp -106.12 -31.3 8.76 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.814 179.973 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 56.5 t -67.39 -11.3 13.71 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-N 116.244 -0.434 . . . . 0.0 111.118 179.955 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 32' ' ' TRP . . . . . . . . . . . . . 5.0 m95 -68.72 -7.45 33.75 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.941 179.902 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 134.48 13.4 1.29 Allowed Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.637 -0.792 . . . . 0.0 112.445 179.942 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 47.3 t -80.39 -63.36 1.43 Allowed 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 120.842 0.354 . . . . 0.0 110.883 -179.781 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 14.4 pt -57.55 -16.07 4.92 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.121 179.982 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -118.97 10.09 12.09 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.945 179.847 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -148.89 -67.79 0.01 OUTLIER Glycine 0 N--CA 1.45 -0.378 0 C-N-CA 120.778 -0.725 . . . . 0.0 112.517 179.953 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -69.79 -60.31 2.39 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.867 0.365 . . . . 0.0 110.944 -179.972 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -73.46 -19.81 60.86 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.151 179.952 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 40' ' ' GLU . . . . . 0.448 ' HA ' ' HA3' ' A' ' 44' ' ' GLY . 1.5 tt0 -91.21 -16.45 27.64 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.808 -179.971 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -107.69 -26.21 5.67 Favored Glycine 0 N--CA 1.45 -0.404 0 C-N-CA 120.779 -0.724 . . . . 0.0 112.584 179.991 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -91.93 -39.75 11.53 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-O 120.884 0.373 . . . . 0.0 110.94 -179.929 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 43' ' ' HIS . . . . . . . . . . . . . 1.4 t60 -119.54 -16.55 8.87 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.883 179.899 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 44' ' ' GLY . . . . . 0.448 ' HA3' ' HA ' ' A' ' 40' ' ' GLU . . . -100.75 18.16 55.38 Favored Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.693 -0.765 . . . . 0.0 112.473 -179.964 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . 5.1 t80 -172.62 -30.56 0.01 OUTLIER 'General case' 0 C--N 1.331 -0.228 0 CA-C-O 120.867 0.365 . . . . 0.0 110.863 -179.919 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 46' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -84.33 -52.52 6.14 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.811 179.998 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 47' ' ' VAL . . . . . . . . . . . . . 92.5 t -90.65 -28.19 4.94 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.129 -179.962 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 48' ' ' HIS . . . . . . . . . . . . . 40.3 m-70 -120.61 36.49 4.56 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.886 179.899 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 2.8 tt0 -37.86 -44.79 0.79 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.916 -179.93 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 50' ' ' PHE . . . . . . . . . . . . . 0.8 OUTLIER -163.24 33.09 0.09 Allowed 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.07 -0.514 . . . . 0.0 110.857 -179.935 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 135.74 -45.14 1.11 Allowed Glycine 0 N--CA 1.453 -0.219 0 C-N-CA 120.733 -0.746 . . . . 0.0 112.483 -179.977 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 4.9 m-20 -163.49 52.63 0.16 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.895 0.378 . . . . 0.0 110.804 -179.919 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 53' ' ' ASN . . . . . . . . . . . . . 22.1 t-20 72.39 -69.23 0.19 Allowed 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.901 -179.908 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 54' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -159.25 21.58 0.19 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.114 179.998 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . 49.42 29.98 3.11 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.152 179.855 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . -128.11 -33.25 0.59 Allowed Glycine 0 N--CA 1.451 -0.347 0 C-N-CA 120.76 -0.733 . . . . 0.0 112.533 -179.99 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 57' ' ' CYS . . . . . . . . . . . . . 26.9 m -127.46 22.96 6.41 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.922 0.392 . . . . 0.0 110.874 -179.852 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 58' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -165.8 24.57 0.05 OUTLIER 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.135 -179.799 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -171.88 -35.73 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.785 -179.817 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -64.34 -17.54 63.79 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.073 179.883 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . -61.4 -164.17 0.26 Allowed Glycine 0 N--CA 1.45 -0.398 0 C-N-CA 120.797 -0.716 . . . . 0.0 112.462 -179.928 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 62' ' ' PRO . . . . . . . . . . . . . 53.2 Cg_endo -69.77 -167.8 0.24 Allowed 'Trans proline' 0 C--O 1.231 0.16 0 C-N-CA 122.721 2.281 . . . . 0.0 112.293 -179.923 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 63' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER 66.01 27.83 10.61 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.833 -179.971 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 64' ' ' PHE . . . . . . . . . . . . . 5.0 m-85 -125.77 69.12 1.18 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.924 -179.931 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 65' ' ' ASN . . . . . . . . . . . . . 9.8 m-20 -101.32 159.92 28.09 Favored Pre-proline 0 C--N 1.33 -0.268 0 CA-C-O 121.61 0.719 . . . . 0.0 110.882 -179.897 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 66' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.84 48.09 0.62 Allowed 'Trans proline' 0 C--O 1.232 0.188 0 C-N-CA 122.667 2.245 . . . . 0.0 112.346 179.961 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER 179.86 27.03 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.264 -0.426 . . . . 0.0 110.978 -179.985 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 39.7 m -163.63 29.9 0.08 Allowed 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.86 -179.81 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 69' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -172.2 -36.85 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.024 -0.534 . . . . 0.0 110.792 -179.89 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -39.0 -40.37 0.65 Allowed 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.96 179.944 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 71' ' ' HIS . . . . . . . . . . . . . 36.0 m80 -38.32 -42.7 0.74 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.855 179.947 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . -124.2 -9.87 5.38 Favored Glycine 0 N--CA 1.452 -0.279 0 C-N-CA 120.799 -0.715 . . . . 0.0 112.463 -179.988 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . 60.84 165.8 0.27 Allowed Glycine 0 N--CA 1.453 -0.194 0 C-N-CA 120.639 -0.791 . . . . 0.0 112.472 -179.919 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 74' ' ' PRO . . . . . . . . . . . . . 53.0 Cg_endo -69.69 -26.66 27.69 Favored 'Trans proline' 0 C--N 1.342 0.185 0 C-N-CA 122.709 2.273 . . . . 0.0 112.324 -179.915 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 18.2 mmtt 64.91 163.35 0.14 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.977 -179.973 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 31.4 m-20 58.11 23.13 9.77 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 116.313 -0.403 . . . . 0.0 110.908 -179.983 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 12.8 pt-20 -165.0 -41.86 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.901 -179.857 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 41.5 mm-40 -103.24 -57.75 1.99 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.903 -179.992 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 79' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -81.94 -0.58 44.59 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.746 -179.774 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 80' ' ' HIS . . . . . . . . . . . . . 8.8 t60 -89.24 -25.15 21.88 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.949 179.841 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 81' ' ' VAL . . . . . 0.4 ' HA ' ' CD1' ' A' ' 84' ' ' LEU . 5.3 m -148.19 29.7 0.13 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.124 -0.489 . . . . 0.0 111.079 179.919 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 82' ' ' GLY . . . . . 0.412 ' HA2' ' CB ' ' A' ' 86' ' ' ASN . . . -55.37 -85.81 0.02 OUTLIER Glycine 0 N--CA 1.453 -0.222 0 C-N-CA 120.767 -0.73 . . . . 0.0 112.446 179.905 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 83' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -78.27 50.32 0.91 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 120.843 0.354 . . . . 0.0 110.909 -179.992 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 84' ' ' LEU . . . . . 0.4 ' CD1' ' HA ' ' A' ' 81' ' ' VAL . 4.3 pp -171.24 17.37 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.287 -0.415 . . . . 0.0 110.975 -179.923 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . 168.9 -23.41 0.1 Allowed Glycine 0 N--CA 1.451 -0.345 0 C-N-CA 120.711 -0.757 . . . . 0.0 112.507 179.911 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 86' ' ' ASN . . . . . 0.412 ' CB ' ' HA2' ' A' ' 82' ' ' GLY . 1.8 t-20 -94.68 -38.46 10.81 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 120.798 0.332 . . . . 0.0 110.902 -179.924 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 87' ' ' VAL . . . . . . . . . . . . . 5.9 t -101.21 2.34 10.61 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.117 -0.492 . . . . 0.0 111.154 179.965 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 88' ' ' THR . . . . . . . . . . . . . 9.3 m -95.26 -5.25 44.12 Favored 'General case' 0 C--O 1.232 0.181 0 CA-C-N 116.113 -0.494 . . . . 0.0 111.14 179.979 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . 67.53 40.85 2.49 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.311 -0.404 . . . . 0.0 111.106 179.861 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 90' ' ' ASP . . . . . . . . . . . . . 9.9 m-20 60.35 102.86 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.99 -179.97 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 91' ' ' LYS . . . . . . . . . . . . . 41.2 tptt -178.92 -33.81 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.932 -179.94 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 92' ' ' ASP . . . . . . . . . . . . . 30.0 m-20 -109.36 -45.86 3.65 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.926 179.867 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . -105.93 14.61 44.94 Favored Glycine 0 N--CA 1.45 -0.388 0 C-N-CA 120.695 -0.764 . . . . 0.0 112.437 -179.917 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 94' ' ' VAL . . . . . . . . . . . . . 16.8 t -141.26 -40.46 0.21 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-O 120.753 0.311 . . . . 0.0 111.219 179.998 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . -111.32 31.43 6.11 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.108 -0.496 . . . . 0.0 111.006 179.871 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 96' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -162.74 -34.37 0.04 OUTLIER 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.832 179.89 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 97' ' ' VAL . . . . . . . . . . . . . 0.8 OUTLIER -90.93 -5.55 10.81 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.165 -0.471 . . . . 0.0 111.15 -179.97 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -124.97 -35.67 2.64 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.882 -179.87 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 99' ' ' ILE . . . . . . . . . . . . . 46.1 mm -51.86 -41.97 31.62 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.202 179.842 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 100' ' ' GLU . . . . . . . . . . . . . 1.2 mt-10 -69.57 -35.6 75.53 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.862 179.951 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 101' ' ' ASP . . . . . . . . . . . . . 6.5 t70 -77.3 -16.01 59.16 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.84 179.997 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 102' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -97.76 -41.18 8.19 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.847 -179.707 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 103' ' ' VAL . . . . . . . . . . . . . 7.5 p -62.47 -25.18 37.24 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-N 116.118 -0.492 . . . . 0.0 111.112 179.863 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 104' ' ' ILE . . . . . . . . . . . . . 82.9 mt -95.66 -33.1 4.6 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.09 179.985 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 105' ' ' SER . . . . . . . . . . . . . 20.2 m -75.97 -26.6 56.95 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.854 -179.89 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 106' ' ' LEU . . . . . . . . . . . . . 1.4 mm? -63.04 -44.52 95.64 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.064 -0.516 . . . . 0.0 110.852 -179.972 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 107' ' ' SER . . . . . . . . . . . . . 72.6 p -100.37 -9.64 22.03 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.822 -179.783 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 108' ' ' GLY . . . . . . . . . . . . . . . -102.51 -3.64 50.04 Favored Glycine 0 N--CA 1.451 -0.347 0 C-N-CA 120.672 -0.775 . . . . 0.0 112.495 179.964 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 109' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -133.84 13.88 3.99 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.854 0.359 . . . . 0.0 110.913 179.976 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 110' ' ' HIS . . . . . . . . . . . . . 22.2 t-80 -124.51 -17.47 6.01 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.895 179.952 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 111' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -116.32 -28.45 6.51 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.324 -0.398 . . . . 0.0 110.946 -179.982 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 112' ' ' ILE . . . . . . . . . . . . . 31.8 mm -101.09 -45.33 11.37 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.11 -0.495 . . . . 0.0 111.177 179.956 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 113' ' ' ILE . . . . . . . . . . . . . 32.7 mm -98.16 -57.79 4.24 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.361 0 CA-C-N 116.119 -0.491 . . . . 0.0 111.085 179.887 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 114' ' ' GLY . . . . . . . . . . . . . . . -60.39 -16.11 41.66 Favored Glycine 0 N--CA 1.452 -0.234 0 C-N-CA 120.828 -0.701 . . . . 0.0 112.365 179.958 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 115' ' ' ARG . . . . . . . . . . . . . 1.6 ttt180 -75.96 -30.1 58.51 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-O 121.002 0.429 . . . . 0.0 110.892 -179.812 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 116' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -102.41 -44.23 5.44 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.229 -179.952 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 117' ' ' LEU . . . . . . . . . . . . . 2.5 tt -59.2 -20.85 57.55 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.987 179.937 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 118' ' ' VAL . . . . . . . . . . . . . 84.9 t -101.87 -35.26 4.05 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.26 0 CA-C-N 116.068 -0.514 . . . . 0.0 111.113 179.789 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 119' ' ' VAL . . . . . . . . . . . . . 57.4 t -85.68 -63.65 1.21 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.022 179.991 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 120' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER -98.04 39.85 1.21 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.876 -179.976 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 121' ' ' GLU . . . . . . . . . . . . . 5.5 pt-20 -55.06 -30.15 59.0 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.86 -179.878 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 122' ' ' LYS . . . . . . . . . . . . . 9.4 ttmt -67.2 -24.37 65.84 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.935 179.917 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 123' ' ' ALA . . . . . . . . . . . . . . . 68.69 8.74 6.93 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.319 -0.4 . . . . 0.0 111.051 179.856 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 124' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -172.71 33.44 0.01 OUTLIER 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.849 -179.974 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 125' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER . . . . . 0 C--N 1.331 -0.222 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.844 179.94 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.232 0.161 0 CA-C-O 120.946 0.403 . . . . 0.0 111.075 . . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 14.8 t -161.23 24.78 0.13 Allowed 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.082 -179.904 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -90.4 -45.08 9.23 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.884 179.93 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -63.22 -14.37 48.37 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.052 179.88 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 2.7 t -86.27 -48.2 15.96 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.384 0 CA-C-N 116.26 -0.427 . . . . 0.0 111.106 179.962 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 6.1 p -177.03 74.93 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.867 -179.918 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 1.0 OUTLIER -177.95 -34.78 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.257 0 CA-C-N 116.136 -0.484 . . . . 0.0 111.137 -179.921 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 17.1 tp -59.98 -20.98 60.59 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.894 179.936 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 6.2 mttp -93.98 -1.57 54.4 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.849 179.884 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -139.65 47.14 0.91 Allowed Glycine 0 N--CA 1.451 -0.345 0 C-N-CA 120.648 -0.786 . . . . 0.0 112.419 179.957 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 11' ' ' ASP . . . . . 0.561 ' C ' ' HD2' ' A' ' 13' ' ' PRO . 0.4 OUTLIER -110.99 -18.57 13.03 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.919 0.39 . . . . 0.0 110.884 -179.941 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 12' ' ' GLY . . . . . 0.681 ' N ' ' HD2' ' A' ' 13' ' ' PRO . . . 125.94 -46.97 1.05 Allowed Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.701 -0.762 . . . . 0.0 112.557 -179.947 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 13' ' ' PRO . . . . . 0.681 ' HD2' ' N ' ' A' ' 12' ' ' GLY . 53.2 Cg_endo -69.86 -7.92 22.3 Favored 'Trans proline' 0 C--N 1.343 0.285 0 C-N-CA 122.605 2.203 . . . . 0.0 112.341 -179.921 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 12.3 p -75.78 -14.9 15.35 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.245 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.15 179.911 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 1.4 tp60 -97.18 -36.83 10.33 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.932 -179.937 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -83.71 -28.77 34.23 Favored Glycine 0 C--N 1.333 0.371 0 C-N-CA 120.662 -0.78 . . . . 0.0 112.467 -179.963 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 87.0 mt -84.72 -30.58 7.0 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.349 0 CA-C-O 120.799 0.333 . . . . 0.0 111.093 -179.969 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 1.0 OUTLIER -64.05 -33.93 65.39 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.15 179.921 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 2.6 m-20 -93.52 -23.21 18.43 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.834 179.982 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 3.1 m-85 -82.91 -34.89 26.51 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.885 -179.942 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 3.6 tt0 -85.29 -12.58 52.03 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.117 -0.492 . . . . 0.0 111.022 179.958 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 64.0 mt-30 -98.9 -40.25 8.18 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.88 -179.894 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 9.5 mmpt? -70.7 -38.33 73.65 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.251 -0.432 . . . . 0.0 110.948 179.913 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 1.3 tt0 -86.61 7.06 27.94 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.101 -0.499 . . . . 0.0 110.941 179.977 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 3.8 m -117.43 14.51 14.65 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.072 -0.513 . . . . 0.0 110.944 -179.836 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 1.1 m-80 -172.95 -38.34 0.01 OUTLIER 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.82 -179.985 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . -66.11 -122.56 0.01 OUTLIER Glycine 0 C--N 1.331 0.276 0 C-N-CA 120.783 -0.722 . . . . 0.0 112.382 -179.936 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 52.8 Cg_endo -69.73 51.07 0.86 Allowed 'Trans proline' 0 C--O 1.231 0.162 0 C-N-CA 122.712 2.275 . . . . 0.0 112.279 -179.842 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 75.4 t -148.56 -45.28 0.09 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.02 179.913 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 5.6 mttt -107.47 -30.12 8.84 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.799 -179.97 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 8.4 p -54.49 -17.88 2.4 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-N 116.28 -0.418 . . . . 0.0 110.98 179.982 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 32' ' ' TRP . . . . . . . . . . . . . 59.0 t-105 -53.06 -56.43 16.21 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.933 -179.981 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -157.67 18.66 0.36 Allowed Glycine 0 N--CA 1.452 -0.269 0 C-N-CA 120.711 -0.757 . . . . 0.0 112.459 179.974 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 28.9 t -82.63 -61.6 1.84 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.838 0.352 . . . . 0.0 110.825 -179.7 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 1.1 mt -57.6 -15.53 4.22 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.175 179.939 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -120.47 12.41 11.59 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.928 179.83 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -150.44 -62.51 0.01 OUTLIER Glycine 0 N--CA 1.452 -0.254 0 C-N-CA 120.774 -0.727 . . . . 0.0 112.524 179.959 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 10.2 mt -74.01 -56.72 4.6 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-O 120.807 0.337 . . . . 0.0 110.851 -179.848 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -79.49 -17.99 52.97 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.144 179.963 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 5.0 tp10 -94.34 -28.14 15.71 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.002 179.923 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -100.25 -40.92 2.91 Favored Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.657 -0.782 . . . . 0.0 112.438 -179.972 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 3.4 mt -91.24 -25.48 19.48 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-O 120.859 0.361 . . . . 0.0 110.951 -179.968 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 43' ' ' HIS . . . . . . . . . . . . . 0.7 OUTLIER -121.91 -5.48 9.06 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.874 179.961 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . -113.67 -23.71 4.94 Favored Glycine 0 N--CA 1.452 -0.296 0 C-N-CA 120.714 -0.755 . . . . 0.0 112.395 -179.834 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . 9.4 t80 -122.21 -20.66 6.13 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.926 0.393 . . . . 0.0 110.933 -179.932 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 46' ' ' HIS . . . . . . . . . . . . . 3.3 t-80 -99.32 -39.64 8.31 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.857 -179.97 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 47' ' ' VAL . . . . . . . . . . . . . 78.6 t -97.61 -34.08 4.62 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.362 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.173 179.894 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 48' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER -103.38 -28.65 11.7 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.322 -0.399 . . . . 0.0 110.798 179.922 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 1.3 tp10 54.05 30.7 12.34 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.796 -179.926 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 50' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER 63.61 15.23 8.74 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.923 -179.934 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 130.02 -34.64 2.69 Favored Glycine 0 N--CA 1.452 -0.269 0 C-N-CA 120.645 -0.788 . . . . 0.0 112.476 -179.983 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 1.7 m-20 -66.53 -20.55 66.05 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-O 120.845 0.355 . . . . 0.0 110.892 179.945 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 53' ' ' ASN . . . . . . . . . . . . . 3.1 m120 75.06 -57.07 0.61 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.895 -179.942 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 54' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -139.67 9.85 2.43 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.196 179.925 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . 52.89 23.62 2.93 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.2 -0.454 . . . . 0.0 111.068 179.798 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . -128.52 -30.01 0.74 Allowed Glycine 0 N--CA 1.45 -0.399 0 C-N-CA 120.738 -0.744 . . . . 0.0 112.627 179.937 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 57' ' ' CYS . . . . . . . . . . . . . 1.2 m -108.43 8.83 27.65 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.915 0.388 . . . . 0.0 110.873 -179.951 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 58' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -159.29 19.82 0.18 Allowed 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.104 -0.498 . . . . 0.0 111.055 -179.935 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -158.6 -38.23 0.06 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.804 -179.793 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -130.68 40.84 3.45 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.068 -0.515 . . . . 0.0 111.23 179.894 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . -82.02 -167.68 40.0 Favored Glycine 0 N--CA 1.45 -0.368 0 C-N-CA 120.671 -0.776 . . . . 0.0 112.493 -179.899 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 62' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.82 78.95 0.99 Allowed 'Trans proline' 0 C--N 1.342 0.194 0 C-N-CA 122.705 2.27 . . . . 0.0 112.251 -179.91 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 63' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -149.51 -170.52 3.66 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.779 -179.953 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 64' ' ' PHE . . . . . . . . . . . . . 52.4 m-85 -54.99 101.89 0.06 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.942 -179.984 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 65' ' ' ASN . . . . . . . . . . . . . 39.5 m-80 -160.1 159.04 26.92 Favored Pre-proline 0 C--N 1.327 -0.377 0 CA-C-O 121.675 0.75 . . . . 0.0 110.959 -179.993 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 66' ' ' PRO . . . . . . . . . . . . . 55.1 Cg_endo -69.68 49.31 0.69 Allowed 'Trans proline' 0 C--O 1.231 0.15 0 C-N-CA 122.679 2.253 . . . . 0.0 112.342 179.919 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER 178.77 26.4 0.0 OUTLIER 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.876 179.895 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 1.1 t -168.88 27.19 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.863 -179.882 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 69' ' ' ARG . . . . . . . . . . . . . 3.8 ppt_? -148.55 14.98 0.98 Allowed 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.959 -179.875 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -122.05 -78.35 0.6 Allowed 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.862 179.986 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 71' ' ' HIS . . . . . . . . . . . . . 2.0 m80 -79.02 -13.88 59.52 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.24 -0.437 . . . . 0.0 110.866 179.927 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . -125.53 -9.56 4.88 Favored Glycine 0 N--CA 1.452 -0.29 0 C-N-CA 120.748 -0.739 . . . . 0.0 112.511 -179.967 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . -49.25 -71.01 0.66 Allowed Glycine 0 N--CA 1.45 -0.387 0 C-N-CA 120.75 -0.738 . . . . 0.0 112.429 -179.857 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 74' ' ' PRO . . . . . . . . . . . . . 54.8 Cg_endo -69.7 -171.46 0.47 Allowed 'Trans proline' 0 C--O 1.231 0.141 0 C-N-CA 122.782 2.321 . . . . 0.0 112.296 -179.951 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 66.12 149.91 0.05 OUTLIER 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.943 179.936 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 75.9 m-20 55.06 33.62 20.74 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.841 179.854 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 12.0 pt-20 -173.16 -40.41 0.01 OUTLIER 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.928 -179.904 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 19.1 mt-10 -102.46 -57.35 2.07 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.896 -179.922 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 79' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -87.11 4.39 42.42 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.903 179.985 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 80' ' ' HIS . . . . . . . . . . . . . 6.7 t60 -95.21 -18.19 21.1 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.836 179.968 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 81' ' ' VAL . . . . . . . . . . . . . 23.0 t -139.63 -33.26 0.26 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.3 -0.409 . . . . 0.0 111.208 179.9 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 82' ' ' GLY . . . . . 0.401 ' HA2' ' HB2' ' A' ' 86' ' ' ASN . . . 92.06 -23.44 26.65 Favored Glycine 0 N--CA 1.451 -0.345 0 C-N-CA 120.749 -0.739 . . . . 0.0 112.531 179.996 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 83' ' ' ASP . . . . . . . . . . . . . 4.4 m-20 -81.81 37.18 0.47 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.801 0.334 . . . . 0.0 110.856 -179.936 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 84' ' ' LEU . . . . . . . . . . . . . 4.9 tp -165.01 30.48 0.06 Allowed 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.947 -179.947 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . 156.34 -9.16 0.27 Allowed Glycine 0 N--CA 1.452 -0.298 0 C-N-CA 120.78 -0.724 . . . . 0.0 112.488 179.979 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 86' ' ' ASN . . . . . 0.401 ' HB2' ' HA2' ' A' ' 82' ' ' GLY . 3.5 t-20 -111.65 -34.72 5.97 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-O 120.815 0.34 . . . . 0.0 110.92 -179.905 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 87' ' ' VAL . . . . . . . . . . . . . 1.7 p -109.96 14.87 8.33 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.105 -0.498 . . . . 0.0 111.146 179.928 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 88' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -139.8 -45.28 0.44 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.202 -179.975 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -48.98 -31.81 8.09 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.13 179.817 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 90' ' ' ASP . . . . . . . . . . . . . 2.7 m-20 -125.84 24.05 7.15 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.747 -179.898 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 91' ' ' LYS . . . . . . . . . . . . . 4.1 tptt -138.25 -55.14 0.64 Allowed 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.889 -179.954 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 92' ' ' ASP . . . . . . . . . . . . . 21.3 m-20 -78.23 -52.14 9.12 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.873 179.894 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . -93.26 20.69 44.68 Favored Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.655 -0.783 . . . . 0.0 112.578 -179.962 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 94' ' ' VAL . . . . . . . . . . . . . 45.6 t -146.97 -37.84 0.11 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.245 0 CA-C-O 120.81 0.338 . . . . 0.0 111.182 -179.989 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . -116.76 28.42 8.55 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.076 179.869 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 96' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -158.8 -34.74 0.06 Allowed 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.815 -179.969 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 97' ' ' VAL . . . . . . . . . . . . . 11.3 t -127.3 15.48 3.45 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.367 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.119 -179.999 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -164.68 25.46 0.06 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.767 -179.856 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 99' ' ' ILE . . . . . . . . . . . . . 2.1 mp -57.19 -40.59 74.51 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.346 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.17 179.931 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 100' ' ' GLU . . . . . . . . . . . . . 1.8 mp0 -71.07 -39.42 72.2 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.081 -0.509 . . . . 0.0 110.875 179.926 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 101' ' ' ASP . . . . . . . . . . . . . 11.3 t70 -73.78 -16.34 61.16 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.928 179.955 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 102' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -97.64 -41.81 7.95 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.837 -179.765 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 103' ' ' VAL . . . . . . . . . . . . . 7.3 p -63.83 -23.97 34.65 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.222 179.868 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 104' ' ' ILE . . . . . . . . . . . . . 66.1 mt -95.67 -30.93 4.05 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-N 116.051 -0.522 . . . . 0.0 111.112 179.962 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 105' ' ' SER . . . . . . . . . . . . . 79.3 p -78.83 -28.85 44.42 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.853 -179.946 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 106' ' ' LEU . . . . . . . . . . . . . 12.0 tp -64.0 -43.61 95.12 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.865 -179.967 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 107' ' ' SER . . . . . . . . . . . . . 60.3 p -100.15 -9.61 22.34 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.868 -179.905 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 108' ' ' GLY . . . . . . . . . . . . . . . -103.85 -2.59 46.03 Favored Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 120.778 -0.725 . . . . 0.0 112.467 -179.9 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 109' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -135.6 13.11 3.46 Favored 'General case' 0 C--N 1.331 -0.209 0 CA-C-O 120.855 0.359 . . . . 0.0 110.769 -179.824 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 110' ' ' HIS . . . . . . . . . . . . . 9.3 t60 -131.55 -8.94 3.65 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.852 -179.945 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 111' ' ' CYS . . . . . . . . . . . . . 78.1 m -116.22 -33.19 5.08 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.866 -179.938 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 112' ' ' ILE . . . . . . . . . . . . . 6.6 tt -103.54 -41.44 7.25 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.24 -0.437 . . . . 0.0 111.022 -179.88 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 113' ' ' ILE . . . . . . . . . . . . . 4.7 mt -99.35 -59.6 3.19 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.224 -0.443 . . . . 0.0 111.062 179.938 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 114' ' ' GLY . . . . . . . . . . . . . . . -60.67 -24.4 62.09 Favored Glycine 0 N--CA 1.451 -0.334 0 C-N-CA 120.803 -0.713 . . . . 0.0 112.472 179.971 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 115' ' ' ARG . . . . . . . . . . . . . 3.4 tmt_? -74.59 -13.32 60.64 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.844 0.354 . . . . 0.0 110.778 -179.797 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 116' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -102.96 -33.25 9.37 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.317 -0.401 . . . . 0.0 111.104 -179.899 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 117' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -88.64 -29.02 20.26 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.3 -0.409 . . . . 0.0 110.846 -179.989 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 118' ' ' VAL . . . . . . . . . . . . . 9.3 t -102.83 -64.43 1.56 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.101 -0.5 . . . . 0.0 111.156 179.845 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 119' ' ' VAL . . . . . . . . . . . . . 2.3 t -64.45 -31.06 51.99 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.255 0 CA-C-N 116.116 -0.493 . . . . 0.0 111.101 179.995 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 120' ' ' HIS . . . . . . . . . . . . . 0.5 OUTLIER -120.31 38.0 4.1 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.765 179.941 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 121' ' ' GLU . . . . . . . . . . . . . 45.3 tt0 -62.89 -16.65 59.69 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.924 -179.991 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 122' ' ' LYS . . . . . . . . . . . . . 28.5 tttt -138.21 -62.16 0.59 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.867 179.881 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 123' ' ' ALA . . . . . . . . . . . . . . . 179.06 109.61 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.273 -0.421 . . . . 0.0 111.149 179.963 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 124' ' ' ASP . . . . . . . . . . . . . 5.9 t0 51.64 30.17 6.37 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.925 -179.954 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 125' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER . . . . . 0 C--N 1.329 -0.299 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.85 -180.0 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.457 -0.124 0 CA-C-O 120.788 0.328 . . . . 0.0 111.171 . . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -179.79 -32.91 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.271 -0.422 . . . . 0.0 111.146 -179.94 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 1.1 pptp? -179.92 31.97 0.0 OUTLIER 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.28 -0.418 . . . . 0.0 111.027 179.863 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -90.41 -34.54 15.6 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.009 179.899 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 9.0 t -124.51 -35.61 1.04 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.239 0 CA-C-N 116.22 -0.446 . . . . 0.0 111.134 -179.926 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 79.9 m -65.71 -118.85 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.948 179.992 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 7.5 t -80.55 50.33 0.07 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.158 -179.957 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 5.1 tt -61.49 -19.28 61.87 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.104 -0.498 . . . . 0.0 111.001 179.917 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -93.69 -1.8 54.72 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.943 179.85 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -139.04 50.15 0.8 Allowed Glycine 0 N--CA 1.452 -0.279 0 C-N-CA 120.773 -0.727 . . . . 0.0 112.448 179.951 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -138.2 21.76 2.79 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.815 0.34 . . . . 0.0 110.872 179.951 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 12' ' ' GLY . . . . . 0.528 ' N ' ' CD ' ' A' ' 13' ' ' PRO . . . 62.37 47.28 90.68 Favored Glycine 0 N--CA 1.453 -0.219 0 C-N-CA 120.744 -0.741 . . . . 0.0 112.398 179.999 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 13' ' ' PRO . . . . . 0.528 ' CD ' ' N ' ' A' ' 12' ' ' GLY . 54.3 Cg_endo -69.79 -56.19 0.15 Allowed 'Trans proline' 0 C--N 1.342 0.186 0 C-N-CA 122.671 2.247 . . . . 0.0 112.346 -179.993 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 31.4 m -91.04 -17.36 7.8 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.258 -0.428 . . . . 0.0 111.11 179.947 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 37.0 tp60 -97.72 -49.59 4.78 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.913 179.999 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -66.14 -35.08 89.99 Favored Glycine 0 N--CA 1.449 -0.454 0 C-N-CA 120.748 -0.739 . . . . 0.0 112.505 -179.944 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 61.1 mt -82.85 -21.42 9.19 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.256 0 CA-C-O 120.824 0.345 . . . . 0.0 111.119 -179.941 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 0.3 OUTLIER -64.66 -35.13 73.99 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.253 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.213 179.767 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 5.5 m-20 -94.73 -23.7 17.44 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.873 179.919 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 0.9 OUTLIER -82.88 -33.38 26.97 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.83 -179.921 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 2.0 tt0 -83.49 -14.03 53.3 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.837 -179.887 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -100.37 -33.41 10.39 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.898 -179.974 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 76.4 mttt -84.0 -37.76 21.79 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.288 -0.415 . . . . 0.0 110.934 179.91 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 4.5 tt0 -85.95 9.98 15.35 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.822 -179.964 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 3.9 m -118.28 13.17 13.63 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.783 -179.747 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER -173.57 -35.86 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.828 -179.926 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . -65.32 -120.12 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 120.667 -0.778 . . . . 0.0 112.513 -179.956 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 53.2 Cg_endo -69.91 46.19 0.51 Allowed 'Trans proline' 0 C--N 1.342 0.207 0 C-N-CA 122.614 2.209 . . . . 0.0 112.335 -179.887 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 75.2 t -143.32 -41.8 0.17 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.027 179.91 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 7.9 mttp -105.72 -33.06 8.15 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.264 -0.425 . . . . 0.0 110.856 179.925 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 65.0 t -60.99 -15.8 12.82 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.29 -0.414 . . . . 0.0 111.147 179.896 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 32' ' ' TRP . . . . . . . . . . . . . 0.0 OUTLIER -64.94 -57.8 7.8 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.055 179.958 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -158.74 15.76 0.25 Allowed Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.707 -0.759 . . . . 0.0 112.468 179.843 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 23.3 t -82.56 -63.38 1.38 Allowed 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 120.791 0.329 . . . . 0.0 110.82 -179.747 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 35' ' ' ILE . . . . . 0.425 ' O ' ' HB2' ' A' ' 40' ' ' GLU . 15.3 pt -57.26 -14.87 2.81 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 116.101 -0.5 . . . . 0.0 111.123 179.936 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -121.17 10.91 10.77 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.916 179.888 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -148.39 -63.49 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.717 -0.754 . . . . 0.0 112.509 179.874 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 75.8 mt -74.46 -56.41 4.88 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.953 0.406 . . . . 0.0 110.904 -179.895 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -77.56 -18.0 57.34 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.132 -0.485 . . . . 0.0 111.213 179.809 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 40' ' ' GLU . . . . . 0.425 ' HB2' ' O ' ' A' ' 35' ' ' ILE . 0.3 OUTLIER -94.82 -25.69 16.52 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.288 -0.415 . . . . 0.0 110.867 -179.986 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -101.6 -40.12 2.81 Favored Glycine 0 N--CA 1.45 -0.396 0 C-N-CA 120.789 -0.72 . . . . 0.0 112.499 -179.917 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 5.3 mt -90.53 -27.02 19.45 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-O 120.749 0.309 . . . . 0.0 110.89 -179.991 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 43' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -120.21 -11.34 9.22 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.799 179.898 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . -106.2 -24.06 7.03 Favored Glycine 0 N--CA 1.451 -0.354 0 C-N-CA 120.77 -0.728 . . . . 0.0 112.518 -179.936 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . 18.7 t80 -122.64 -15.2 7.58 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.944 0.402 . . . . 0.0 110.897 -179.894 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 46' ' ' HIS . . . . . . . . . . . . . 0.6 OUTLIER -103.13 -50.79 3.4 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.862 179.95 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 47' ' ' VAL . . . . . . . . . . . . . 89.7 t -83.9 -61.75 1.67 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.17 179.993 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 48' ' ' HIS . . . . . . . . . . . . . 16.8 m80 -73.76 -55.41 6.27 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.872 179.92 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER 71.64 -70.81 0.15 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.823 -179.946 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 50' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -112.45 -12.97 13.44 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.275 -0.42 . . . . 0.0 110.85 -179.868 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . -55.29 -68.66 1.57 Allowed Glycine 0 N--CA 1.451 -0.3 0 C-N-CA 120.764 -0.732 . . . . 0.0 112.353 -179.902 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -118.56 -13.36 9.68 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-O 120.714 0.292 . . . . 0.0 110.907 -179.934 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 53' ' ' ASN . . . . . . . . . . . . . 4.3 t-20 73.88 -61.3 0.5 Allowed 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.803 -179.967 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 54' ' ' THR . . . . . . . . . . . . . 3.5 t -131.29 -1.17 4.01 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.129 -179.926 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . 60.72 16.22 6.5 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.281 -0.418 . . . . 0.0 111.009 179.838 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . -127.82 -31.82 0.68 Allowed Glycine 0 N--CA 1.45 -0.382 0 C-N-CA 120.717 -0.754 . . . . 0.0 112.562 179.909 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 57' ' ' CYS . . . . . . . . . . . . . 50.3 m -113.97 16.77 18.21 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-O 120.948 0.404 . . . . 0.0 110.935 -179.952 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 58' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -158.77 13.87 0.17 Allowed 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.101 -0.5 . . . . 0.0 111.16 -179.832 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -131.4 -37.1 1.24 Allowed 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.943 -179.869 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -174.84 55.59 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.039 -0.528 . . . . 0.0 111.14 179.878 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . -105.64 165.31 14.0 Favored Glycine 0 N--CA 1.452 -0.268 0 C-N-CA 120.77 -0.729 . . . . 0.0 112.497 -179.924 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 62' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.84 -48.09 0.77 Allowed 'Trans proline' 0 C--O 1.231 0.172 0 C-N-CA 122.681 2.254 . . . . 0.0 112.226 -179.848 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 63' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -179.29 119.3 0.07 Allowed 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.79 -179.981 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 64' ' ' PHE . . . . . . . . . . . . . 15.6 p90 -112.35 0.04 15.54 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.891 -179.91 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 65' ' ' ASN . . . . . . . . . . . . . 1.4 m120 -164.18 80.73 1.4 Allowed Pre-proline 0 C--N 1.329 -0.303 0 CA-C-O 121.588 0.709 . . . . 0.0 110.926 -179.931 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 66' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.78 64.7 1.82 Allowed 'Trans proline' 0 C--O 1.233 0.244 0 C-N-CA 122.548 2.166 . . . . 0.0 112.343 179.973 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 2.6 pp 177.82 -30.1 0.0 OUTLIER 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.915 -179.994 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 60.2 p -69.34 -6.55 30.46 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.89 -179.94 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 69' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -158.17 -77.86 0.07 Allowed 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.847 -179.86 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 10.9 mmtt 55.57 -90.05 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.275 -0.42 . . . . 0.0 110.845 179.919 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 71' ' ' HIS . . . . . . . . . . . . . 15.1 m80 -51.03 -40.05 57.32 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.765 179.895 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . -145.93 125.96 2.41 Favored Glycine 0 N--CA 1.45 -0.386 0 C-N-CA 120.731 -0.747 . . . . 0.0 112.559 -179.981 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . -64.55 -164.49 0.86 Allowed Glycine 0 N--CA 1.452 -0.292 0 C-N-CA 120.78 -0.724 . . . . 0.0 112.412 -179.778 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 74' ' ' PRO . . . . . . . . . . . . . 54.9 Cg_endo -69.71 -170.66 0.4 Allowed 'Trans proline' 0 C--N 1.342 0.193 0 C-N-CA 122.765 2.31 . . . . 0.0 112.391 -179.982 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 179.44 156.03 0.54 Allowed 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.967 179.905 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 1.9 t0 64.22 27.39 13.92 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.935 179.934 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 5.8 pt-20 -177.98 -48.53 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.881 -179.9 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -103.99 -57.78 1.98 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.103 -0.498 . . . . 0.0 110.872 -179.87 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 79' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -79.1 -2.6 41.37 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.881 -179.91 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 80' ' ' HIS . . . . . . . . . . . . . 0.6 OUTLIER -84.16 -24.38 30.2 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.844 -179.995 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 81' ' ' VAL . . . . . . . . . . . . . 4.1 m -154.37 29.78 0.06 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.249 0 CA-C-N 116.28 -0.418 . . . . 0.0 111.2 179.971 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . -64.36 -12.7 52.12 Favored Glycine 0 N--CA 1.452 -0.297 0 C-N-CA 120.764 -0.731 . . . . 0.0 112.462 -179.89 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 83' ' ' ASP . . . . . . . . . . . . . 2.9 m-20 73.04 34.18 1.1 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.906 0.384 . . . . 0.0 110.875 179.968 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 84' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -152.01 -76.56 0.13 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.94 -179.951 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . -68.32 -39.05 87.91 Favored Glycine 0 N--CA 1.451 -0.352 0 C-N-CA 120.712 -0.756 . . . . 0.0 112.481 179.946 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 86' ' ' ASN . . . . . . . . . . . . . 2.1 t-20 -65.0 -33.93 77.22 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-O 120.825 0.345 . . . . 0.0 110.814 -179.867 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 87' ' ' VAL . . . . . . . . . . . . . 8.9 p -99.38 -0.93 10.14 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 CA-C-N 116.272 -0.422 . . . . 0.0 111.213 179.878 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 88' ' ' THR . . . . . . . . . . . . . 1.3 m -66.67 -39.34 88.12 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.081 -0.509 . . . . 0.0 111.196 180.0 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . 173.01 -28.31 0.0 OUTLIER 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.127 -0.488 . . . . 0.0 111.094 179.977 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 90' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -178.4 -34.86 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.946 -179.978 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 91' ' ' LYS . . . . . 0.421 ' O ' ' CB ' ' A' ' 92' ' ' ASP . 24.6 tptp -151.05 -40.35 0.12 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.945 179.91 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 92' ' ' ASP . . . . . 0.421 ' CB ' ' O ' ' A' ' 91' ' ' LYS . 0.3 OUTLIER 165.94 33.44 0.0 OUTLIER 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.892 179.888 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . 62.89 27.0 69.5 Favored Glycine 0 N--CA 1.45 -0.374 0 C-N-CA 120.845 -0.693 . . . . 0.0 112.382 -179.942 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 94' ' ' VAL . . . . . . . . . . . . . 78.6 t -131.92 -37.94 0.55 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-O 120.855 0.359 . . . . 0.0 111.139 -179.972 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . -101.61 33.94 2.79 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.061 179.912 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 96' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -177.68 -29.46 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.283 -0.417 . . . . 0.0 110.808 -179.992 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 97' ' ' VAL . . . . . . . . . . . . . 4.9 t -114.23 19.18 7.26 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.265 -0.425 . . . . 0.0 111.059 -179.92 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 7.1 t -142.72 -41.89 0.32 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.75 -179.825 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 99' ' ' ILE . . . . . . . . . . . . . 48.2 mt -51.99 -42.77 34.99 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.365 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.179 179.876 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 100' ' ' GLU . . . . . . . . . . . . . 7.6 mt-10 -68.47 -35.97 78.3 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.884 -179.984 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 101' ' ' ASP . . . . . . . . . . . . . 6.5 t70 -76.96 -16.53 59.32 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.878 179.908 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 102' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -97.54 -36.31 10.35 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.298 -0.41 . . . . 0.0 110.953 -179.818 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 103' ' ' VAL . . . . . . . . . . . . . 8.6 p -69.86 -24.43 26.67 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.26 0 CA-C-N 116.029 -0.532 . . . . 0.0 111.196 179.963 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 104' ' ' ILE . . . . . . . . . . . . . 46.8 mm -95.54 -26.06 4.35 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.084 -0.507 . . . . 0.0 111.146 179.906 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 105' ' ' SER . . . . . . . . . . . . . 62.1 p -87.03 -23.13 25.08 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.839 -179.903 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 106' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -85.82 -37.76 18.88 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.123 -0.49 . . . . 0.0 111.0 -179.94 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 107' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -98.28 -37.1 9.79 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 116.05 -0.523 . . . . 0.0 110.893 -179.97 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 108' ' ' GLY . . . . . . . . . . . . . . . -78.22 0.37 74.32 Favored Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.656 -0.783 . . . . 0.0 112.499 179.984 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 109' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -133.96 18.62 3.8 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.912 0.387 . . . . 0.0 110.95 179.995 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 110' ' ' HIS . . . . . . . . . . . . . 15.5 t60 -119.57 -39.5 2.87 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.84 -179.941 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 111' ' ' CYS . . . . . 0.551 ' O ' ' N ' ' A' ' 115' ' ' ARG . 1.6 p -118.27 -51.46 2.42 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.886 -179.87 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 112' ' ' ILE . . . . . . . . . . . . . 51.2 mm -46.96 -25.7 0.67 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.107 -0.497 . . . . 0.0 111.108 -179.946 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 113' ' ' ILE . . . . . . . . . . . . . 61.5 mt -100.94 -49.25 11.13 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.115 179.919 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 114' ' ' GLY . . . . . . . . . . . . . . . -82.1 -46.97 6.36 Favored Glycine 0 N--CA 1.452 -0.255 0 C-N-CA 120.758 -0.734 . . . . 0.0 112.448 179.887 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 115' ' ' ARG . . . . . 0.551 ' N ' ' O ' ' A' ' 111' ' ' CYS . 1.6 tmm_? -50.21 -25.33 3.53 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-O 120.881 0.372 . . . . 0.0 110.781 -179.771 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 116' ' ' THR . . . . . . . . . . . . . 9.7 t -100.83 -40.98 7.04 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.288 -0.415 . . . . 0.0 111.223 -179.926 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 117' ' ' LEU . . . . . . . . . . . . . 7.7 tt -65.59 -19.08 65.77 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.954 179.866 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 118' ' ' VAL . . . . . . . . . . . . . 60.2 t -102.34 -44.25 10.08 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.148 179.789 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 119' ' ' VAL . . . . . . . . . . . . . 88.2 t -79.36 -59.67 2.8 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.117 179.911 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 120' ' ' HIS . . . . . . . . . . . . . 32.6 m170 -98.79 39.07 1.29 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.866 179.936 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 121' ' ' GLU . . . . . . . . . . . . . 35.4 tt0 -54.89 -35.49 64.14 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.965 180.0 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 122' ' ' LYS . . . . . . . . . . . . . 15.7 ttmt -58.59 -22.12 55.19 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.079 -0.509 . . . . 0.0 110.931 179.921 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 123' ' ' ALA . . . . . . . . . . . . . . . 66.94 112.34 0.04 OUTLIER 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.256 -0.429 . . . . 0.0 111.096 179.832 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 124' ' ' ASP . . . . . . . . . . . . . 1.2 t70 63.89 43.98 5.06 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.86 -179.964 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 125' ' ' ASP . . . . . . . . . . . . . 4.2 t70 . . . . . 0 C--N 1.329 -0.322 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.865 179.956 . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.232 0.134 0 CA-C-O 120.973 0.416 . . . . 0.0 111.06 . . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -160.96 24.63 0.14 Allowed 'General case' 0 C--O 1.234 0.246 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.158 -179.993 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -89.79 -45.43 9.29 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.286 -0.416 . . . . 0.0 110.99 179.898 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -62.89 -14.68 49.33 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.081 -0.509 . . . . 0.0 111.043 179.849 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 2.8 t -85.41 -47.84 16.59 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.176 -0.466 . . . . 0.0 111.183 179.94 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 6.0 p -176.95 75.06 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.832 179.894 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 1.0 OUTLIER -177.94 -34.68 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.134 -179.954 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -62.55 -16.88 58.38 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.867 -179.977 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 2.2 mptt -93.42 -2.0 55.11 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.916 179.811 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -136.22 48.31 0.93 Allowed Glycine 0 N--CA 1.452 -0.291 0 C-N-CA 120.663 -0.78 . . . . 0.0 112.47 179.899 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -136.94 22.58 3.06 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 120.864 0.364 . . . . 0.0 110.892 179.999 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 12' ' ' GLY . . . . . 0.542 ' N ' ' CD ' ' A' ' 13' ' ' PRO . . . 61.35 47.07 92.9 Favored Glycine 0 N--CA 1.451 -0.354 0 C-N-CA 120.745 -0.741 . . . . 0.0 112.488 -179.892 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 13' ' ' PRO . . . . . 0.542 ' CD ' ' N ' ' A' ' 12' ' ' GLY . 53.8 Cg_endo -69.79 -84.66 0.01 OUTLIER 'Trans proline' 0 C--O 1.231 0.174 0 C-N-CA 122.69 2.26 . . . . 0.0 112.337 -179.937 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 14' ' ' VAL . . . . . 0.427 ' H ' ' HG2' ' A' ' 13' ' ' PRO . 22.7 m -85.83 -16.06 10.07 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.222 179.876 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 46.3 tp60 -96.65 -42.52 7.99 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.955 -179.959 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -73.75 -29.37 63.42 Favored Glycine 0 N--CA 1.45 -0.383 0 C-N-CA 120.782 -0.723 . . . . 0.0 112.486 -179.984 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 5.0 tp -84.55 -27.64 6.9 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 CA-C-O 120.742 0.306 . . . . 0.0 111.031 -179.889 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 0.8 OUTLIER -63.57 -34.55 68.32 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.127 179.853 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 2.0 m-20 -94.93 -24.1 17.13 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.875 179.947 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 3.1 m-85 -81.06 -36.09 30.94 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.926 -179.989 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 1.1 tp10 -85.78 -11.33 53.77 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.872 -179.955 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 4.5 tp60 -99.82 -38.63 8.57 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.865 -179.838 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 7.2 mmtm -80.59 -33.01 36.33 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.933 179.951 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 5.2 tt0 -89.26 8.75 28.81 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.224 -0.443 . . . . 0.0 110.973 179.883 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 4.7 m -119.03 13.03 12.92 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.896 -179.808 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 1.3 m-20 177.06 -31.14 0.0 OUTLIER 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.892 -179.953 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . -62.19 -153.83 0.05 OUTLIER Glycine 0 N--CA 1.45 -0.407 0 C-N-CA 120.77 -0.729 . . . . 0.0 112.474 179.993 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 54.6 Cg_endo -69.78 49.12 0.69 Allowed 'Trans proline' 0 C--N 1.343 0.251 0 C-N-CA 122.505 2.136 . . . . 0.0 112.364 -179.946 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 20.8 t -146.06 -59.76 0.1 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.141 -0.482 . . . . 0.0 111.166 179.819 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 25.5 ttmt -66.44 -48.66 69.24 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.917 179.835 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 99.2 t -60.45 -20.96 21.88 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.111 179.97 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 32' ' ' TRP . . . . . . . . . . . . . 4.6 t-105 -55.94 -57.75 10.77 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.949 179.965 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -165.13 18.5 0.1 Allowed Glycine 0 N--CA 1.451 -0.342 0 C-N-CA 120.781 -0.724 . . . . 0.0 112.504 179.964 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 48.2 t -82.74 -64.15 1.23 Allowed 'General case' 0 C--N 1.328 -0.368 0 CA-C-O 120.791 0.329 . . . . 0.0 110.832 -179.661 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 15.6 pt -57.69 -15.52 4.38 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.161 179.842 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -119.84 14.53 12.5 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.862 179.857 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -154.98 -62.26 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 120.795 -0.717 . . . . 0.0 112.403 179.947 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 3.6 tp -71.42 -56.93 4.98 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-O 120.865 0.364 . . . . 0.0 110.915 -179.836 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 3.9 m -82.78 -16.39 48.08 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.057 -0.519 . . . . 0.0 111.133 179.956 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -93.86 -27.4 16.44 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.28 -0.418 . . . . 0.0 110.893 179.993 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -100.4 -40.19 3.05 Favored Glycine 0 N--CA 1.452 -0.273 0 C-N-CA 120.699 -0.762 . . . . 0.0 112.479 179.965 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 5.0 mt -91.71 -25.88 18.87 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.803 0.335 . . . . 0.0 110.884 -179.941 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 43' ' ' HIS . . . . . . . . . . . . . 0.9 OUTLIER -121.89 -5.08 9.08 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.284 -0.416 . . . . 0.0 110.768 179.958 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . -114.1 -22.72 5.16 Favored Glycine 0 N--CA 1.45 -0.37 0 C-N-CA 120.817 -0.706 . . . . 0.0 112.515 -179.948 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . 12.0 t80 -121.13 -20.61 6.72 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 120.946 0.403 . . . . 0.0 110.926 -179.91 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 46' ' ' HIS . . . . . . . . . . . . . 8.3 t-80 -101.68 -34.92 9.28 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.873 179.921 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 47' ' ' VAL . . . . . . . . . . . . . 92.7 t -101.67 -23.48 4.37 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.115 179.988 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 48' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER -117.13 -27.07 6.59 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.86 179.981 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 32.7 mt-10 52.37 41.72 30.76 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.846 -179.898 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 50' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER 63.48 27.65 15.18 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.044 -0.525 . . . . 0.0 110.861 -179.93 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 177.85 -87.9 0.07 OUTLIER Glycine 0 N--CA 1.451 -0.357 0 C-N-CA 120.79 -0.719 . . . . 0.0 112.524 179.977 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 1.7 t0 -162.32 44.19 0.14 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.875 0.369 . . . . 0.0 110.888 -179.974 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 53' ' ' ASN . . . . . . . . . . . . . 11.3 m-20 49.87 31.48 4.66 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.83 179.987 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 54' ' ' THR . . . . . . . . . . . . . 8.9 t -172.12 -34.11 0.01 OUTLIER 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.099 -0.501 . . . . 0.0 111.149 179.974 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -122.14 32.93 5.63 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.108 179.811 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . -133.88 -35.78 0.27 Allowed Glycine 0 N--CA 1.452 -0.275 0 C-N-CA 120.797 -0.715 . . . . 0.0 112.513 179.979 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 57' ' ' CYS . . . . . . . . . . . . . 17.9 m -142.8 20.93 1.98 Allowed 'General case' 0 C--N 1.328 -0.366 0 CA-C-O 120.939 0.4 . . . . 0.0 110.88 -179.831 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 58' ' ' THR . . . . . . . . . . . . . 1.2 p -151.33 18.76 0.74 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.2 -0.454 . . . . 0.0 111.129 -179.776 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 3.4 t -175.59 -33.5 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.856 -179.922 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -73.99 -20.14 60.43 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.132 -0.486 . . . . 0.0 111.072 179.921 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . -52.19 -70.47 0.88 Allowed Glycine 0 N--CA 1.452 -0.289 0 C-N-CA 120.812 -0.708 . . . . 0.0 112.427 -179.939 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 62' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.64 125.21 11.94 Favored 'Trans proline' 0 C--O 1.232 0.201 0 C-N-CA 122.688 2.259 . . . . 0.0 112.388 -179.944 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 63' ' ' HIS . . . . . . . . . . . . . 1.9 m-70 -168.1 -179.76 4.24 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.856 179.963 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 64' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -74.02 -41.13 62.32 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.229 -0.442 . . . . 0.0 110.805 -179.934 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 65' ' ' ASN . . . . . . . . . . . . . 40.0 m-80 -149.63 80.3 7.61 Favored Pre-proline 0 C--N 1.329 -0.304 0 CA-C-O 121.561 0.696 . . . . 0.0 110.859 -179.831 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 66' ' ' PRO . . . . . . . . . . . . . 54.3 Cg_endo -69.68 55.9 1.29 Allowed 'Trans proline' 0 C--O 1.234 0.284 0 C-N-CA 122.723 2.282 . . . . 0.0 112.38 179.917 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER 179.64 28.02 0.0 OUTLIER 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.288 -0.415 . . . . 0.0 110.899 -179.978 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 35.6 p -175.52 38.34 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.884 -179.906 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 69' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -178.22 -34.15 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.798 -179.875 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 24.8 mtpt -50.25 -74.97 0.03 OUTLIER 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.35 -0.386 . . . . 0.0 110.907 179.956 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 71' ' ' HIS . . . . . . . . . . . . . 14.1 m-70 -91.0 46.14 1.3 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.855 179.893 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . 92.59 -34.61 4.4 Favored Glycine 0 N--CA 1.45 -0.381 0 C-N-CA 120.715 -0.755 . . . . 0.0 112.501 -179.977 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . 130.0 -70.52 0.51 Allowed Glycine 0 N--CA 1.45 -0.43 0 C-N-CA 120.722 -0.752 . . . . 0.0 112.569 -179.86 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 74' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.81 -170.07 0.37 Allowed 'Trans proline' 0 C--O 1.232 0.189 0 C-N-CA 122.656 2.237 . . . . 0.0 112.37 179.952 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 65.59 160.8 0.13 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.904 179.935 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 8.7 t70 57.0 24.52 9.6 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.778 179.919 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 13.0 pt-20 -166.07 -41.11 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.321 -0.4 . . . . 0.0 110.886 -179.94 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 24.4 tt0 -103.44 -57.77 1.98 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.885 -179.915 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 79' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -82.95 1.02 41.82 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.121 -0.491 . . . . 0.0 110.85 -179.86 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 80' ' ' HIS . . . . . . . . . . . . . 1.6 t-160 -94.07 -23.01 18.15 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.82 179.989 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 81' ' ' VAL . . . . . . . . . . . . . 5.3 m -153.59 28.62 0.07 OUTLIER 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.31 -0.405 . . . . 0.0 111.187 179.856 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . -67.18 -7.97 47.61 Favored Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.724 -0.75 . . . . 0.0 112.477 179.976 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 83' ' ' ASP . . . . . . . . . . . . . 2.9 m-20 72.85 28.07 2.08 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-O 120.848 0.356 . . . . 0.0 110.883 179.992 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 84' ' ' LEU . . . . . 0.612 ' O ' ' N ' ' A' ' 88' ' ' THR . 0.0 OUTLIER -157.47 -87.43 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.931 -179.872 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 85' ' ' GLY . . . . . 0.412 ' HA2' ' HA ' ' A' ' 91' ' ' LYS . . . -48.57 -24.56 4.01 Favored Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.684 -0.769 . . . . 0.0 112.454 179.928 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 86' ' ' ASN . . . . . . . . . . . . . 4.6 t30 -95.42 -26.9 15.68 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.827 0.346 . . . . 0.0 110.793 -179.904 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 87' ' ' VAL . . . . . . . . . . . . . 7.1 p -108.1 7.52 9.43 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.277 -0.42 . . . . 0.0 111.111 179.947 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 88' ' ' THR . . . . . 0.612 ' N ' ' O ' ' A' ' 84' ' ' LEU . 2.2 m -119.65 9.57 11.48 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.135 -179.983 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . 67.62 9.73 7.27 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.256 -0.429 . . . . 0.0 111.138 179.899 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 90' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER 169.65 -58.78 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.885 179.951 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 91' ' ' LYS . . . . . 0.412 ' HA ' ' HA2' ' A' ' 85' ' ' GLY . 0.0 OUTLIER 170.23 -26.51 0.0 OUTLIER 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.901 179.979 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 92' ' ' ASP . . . . . . . . . . . . . 33.2 m-20 -124.45 -35.03 2.81 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.823 179.888 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 93' ' ' GLY . . . . . 0.427 ' O ' ' HB ' ' A' ' 94' ' ' VAL . . . -174.39 -28.89 0.03 OUTLIER Glycine 0 N--CA 1.451 -0.303 0 C-N-CA 120.694 -0.765 . . . . 0.0 112.481 -179.852 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 94' ' ' VAL . . . . . 0.427 ' HB ' ' O ' ' A' ' 93' ' ' GLY . 2.7 p 170.09 -20.03 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.327 -0.377 0 CA-C-O 120.853 0.359 . . . . 0.0 111.174 -179.94 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . -135.81 21.62 3.31 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.102 -0.499 . . . . 0.0 111.132 179.853 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 96' ' ' ASP . . . . . 0.539 ' O ' ' CG ' ' A' ' 96' ' ' ASP . 0.0 OUTLIER 67.21 13.75 9.51 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.892 179.954 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 97' ' ' VAL . . . . . . . . . . . . . 3.2 t -133.53 7.61 1.36 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.182 -179.973 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 98' ' ' SER . . . . . 0.401 ' HA ' ' HA3' ' A' ' 93' ' ' GLY . 0.1 OUTLIER 66.46 35.34 5.64 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.858 -179.861 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 99' ' ' ILE . . . . . . . . . . . . . 0.9 OUTLIER -50.83 -42.84 23.81 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.132 179.948 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 100' ' ' GLU . . . . . . . . . . . . . 1.2 mt-10 -64.53 -30.8 71.83 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.849 179.941 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 101' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -86.6 -16.04 37.95 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.861 -179.971 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 102' ' ' SER . . . . . . . . . . . . . 1.5 t -94.61 -36.47 11.78 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.829 -179.7 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 103' ' ' VAL . . . . . . . . . . . . . 92.9 t -74.85 -23.33 17.54 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.233 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.129 179.947 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 104' ' ' ILE . . . . . . . . . . . . . 83.6 mt -94.8 -26.92 4.3 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.326 0 CA-C-N 116.281 -0.418 . . . . 0.0 111.084 179.897 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 105' ' ' SER . . . . . . . . . . . . . 30.8 t -87.42 -21.26 25.69 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.899 -179.905 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 106' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -86.17 -39.1 17.0 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.842 -179.994 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 107' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -98.44 -34.18 10.74 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.799 -179.805 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 108' ' ' GLY . . . . . . . . . . . . . . . -81.06 2.99 78.95 Favored Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.78 -0.724 . . . . 0.0 112.557 179.939 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 109' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -133.6 6.44 3.76 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 120.822 0.344 . . . . 0.0 110.836 179.993 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 110' ' ' HIS . . . . . . . . . . . . . 46.7 t60 -124.79 -18.25 5.64 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.835 -179.931 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 111' ' ' CYS . . . . . . . . . . . . . 3.1 t -116.09 -29.5 6.28 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.895 -179.868 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 112' ' ' ILE . . . . . . . . . . . . . 64.3 mt -100.64 -43.66 10.8 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.348 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.194 -179.996 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 113' ' ' ILE . . . . . . . . . . . . . 46.1 mt -98.23 -58.18 3.99 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.119 179.868 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 114' ' ' GLY . . . . . . . . . . . . . . . -58.46 -26.0 58.82 Favored Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.753 -0.737 . . . . 0.0 112.477 179.846 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 115' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -60.17 -59.04 6.04 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.877 0.37 . . . . 0.0 110.91 -179.855 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 116' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -71.41 -16.15 62.39 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.132 -179.923 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 117' ' ' LEU . . . . . . . . . . . . . 4.5 tt -84.66 -29.17 25.9 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.953 179.921 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 118' ' ' VAL . . . . . . . . . . . . . 15.5 m -99.73 -29.53 3.35 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.179 179.811 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 119' ' ' VAL . . . . . . . . . . . . . 7.5 t -61.06 -71.08 0.12 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.117 -0.492 . . . . 0.0 111.037 179.958 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 120' ' ' HIS . . . . . . . . . . . . . 33.9 m170 -133.48 -35.26 1.01 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.902 -180.0 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 121' ' ' GLU . . . . . . . . . . . . . 5.2 tt0 48.14 36.78 7.02 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.943 -179.921 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 122' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -80.91 -0.04 37.44 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.899 179.985 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 123' ' ' ALA . . . . . . . . . . . . . . . -76.23 -5.41 46.76 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.284 -0.416 . . . . 0.0 111.145 179.767 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 124' ' ' ASP . . . . . . . . . . . . . 7.0 p-10 -158.64 -41.27 0.06 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.861 -179.961 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 125' ' ' ASP . . . . . . . . . . . . . 17.2 t70 . . . . . 0 C--N 1.328 -0.341 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.836 179.99 . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 32.8 m . . . . . 0 C--O 1.23 0.05 0 CA-C-O 120.824 0.345 . . . . 0.0 111.13 . . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 11.3 tp60 -97.64 -49.34 4.89 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.872 -179.96 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -66.37 -33.91 86.33 Favored Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.689 -0.767 . . . . 0.0 112.488 -179.953 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 61.7 mt -83.54 -22.81 8.3 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.347 0 CA-C-O 120.824 0.345 . . . . 0.0 111.189 179.943 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 0.3 OUTLIER -64.77 -36.99 79.02 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.354 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.08 179.893 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 1.0 OUTLIER -94.68 -23.12 17.72 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.911 179.903 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 3.4 m-85 -81.8 -35.89 29.01 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.918 179.998 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 61.2 tt0 -85.39 -11.0 55.54 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.914 -179.951 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 67.7 mt-30 -100.65 -36.12 9.25 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.895 -179.912 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 5.0 mmtm -82.19 -35.27 28.49 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.857 -179.985 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 9.2 tt0 -82.73 0.99 40.99 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.876 -179.975 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 2.1 m . . . . . 0 C--N 1.33 -0.274 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.75 -179.79 . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER . . . . . 0 C--O 1.232 0.14 0 CA-C-O 120.822 0.344 . . . . 0.0 110.911 . . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 11.5 t -69.07 -12.82 16.51 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.176 179.836 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 32' ' ' TRP . . . . . . . . . . . . . 0.9 OUTLIER -130.88 36.57 3.87 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.097 -0.502 . . . . 0.0 110.969 179.982 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -178.64 -38.99 0.06 OUTLIER Glycine 0 N--CA 1.452 -0.255 0 C-N-CA 120.733 -0.746 . . . . 0.0 112.474 -179.939 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 48.3 t -81.29 -62.17 1.73 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.821 0.343 . . . . 0.0 110.852 -179.698 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 35' ' ' ILE . . . . . 0.442 ' O ' ' HB2' ' A' ' 40' ' ' GLU . 1.2 mt -58.21 -14.47 3.84 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.087 179.972 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 3.3 mptt -121.32 11.01 10.69 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.866 179.87 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -148.55 -63.49 0.01 OUTLIER Glycine 0 N--CA 1.45 -0.387 0 C-N-CA 120.73 -0.747 . . . . 0.0 112.471 179.98 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 38' ' ' LEU . . . . . 0.498 HD23 HD11 ' A' ' 42' ' ' LEU . 36.3 mt -73.9 -56.59 4.78 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 120.939 0.399 . . . . 0.0 110.928 -179.929 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -77.84 -18.88 55.8 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.134 179.942 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 40' ' ' GLU . . . . . 0.442 ' HB2' ' O ' ' A' ' 35' ' ' ILE . 0.3 OUTLIER -93.95 -25.32 17.32 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.884 179.965 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 41' ' ' GLY . . . . . 0.403 ' HA2' ' HB3' ' A' ' 45' ' ' PHE . . . -101.04 -40.92 2.73 Favored Glycine 0 N--CA 1.451 -0.36 0 C-N-CA 120.759 -0.734 . . . . 0.0 112.516 -179.988 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 42' ' ' LEU . . . . . 0.728 ' O ' HG23 ' A' ' 47' ' ' VAL . 4.1 mt -90.84 -26.08 19.58 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-O 120.837 0.351 . . . . 0.0 110.97 -179.981 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 43' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -121.78 -6.1 9.1 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.818 179.906 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 44' ' ' GLY . . . . . 0.412 ' HA3' ' HA ' ' A' ' 40' ' ' GLU . . . -112.62 -22.29 5.8 Favored Glycine 0 N--CA 1.45 -0.369 0 C-N-CA 120.749 -0.739 . . . . 0.0 112.476 -179.927 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 45' ' ' PHE . . . . . 0.403 ' HB3' ' HA2' ' A' ' 41' ' ' GLY . 8.4 t80 -120.56 -24.09 5.89 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-O 120.917 0.389 . . . . 0.0 110.918 -179.921 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 46' ' ' HIS . . . . . . . . . . . . . 2.6 t-80 -96.63 -63.58 1.13 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.84 179.966 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 47' ' ' VAL . . . . . 0.728 HG23 ' O ' ' A' ' 42' ' ' LEU . 47.7 t -70.83 -61.7 1.58 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.119 -179.999 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 48' ' ' HIS . . . . . . . . . . . . . 24.2 m170 -68.0 -22.97 64.97 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.858 179.93 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER . . . . . 0 C--N 1.329 -0.313 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.942 -179.85 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 22.9 t . . . . . 0 C--O 1.231 0.1 0 CA-C-O 120.781 0.324 . . . . 0.0 110.807 . . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 99' ' ' ILE . . . . . . . . . . . . . 44.3 mt -57.15 -42.32 79.47 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.145 -0.48 . . . . 0.0 111.155 179.957 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 100' ' ' GLU . . . . . . . . . . . . . 13.8 mt-10 -69.93 -36.1 75.06 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.938 179.923 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 101' ' ' ASP . . . . . . . . . . . . . 3.1 t70 -77.22 -16.18 59.17 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.925 179.917 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 102' ' ' SER . . . . . 0.429 ' O ' HD23 ' A' ' 106' ' ' LEU . 0.3 OUTLIER -97.83 -39.71 8.88 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.775 -179.675 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 103' ' ' VAL . . . . . . . . . . . . . 8.3 p -64.95 -24.96 36.6 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.131 179.9 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 104' ' ' ILE . . . . . . . . . . . . . 44.2 mm -95.47 -29.03 3.98 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.164 179.921 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 105' ' ' SER . . . . . . . . . . . . . 5.6 m -79.63 -30.0 41.2 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.884 -179.953 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 106' ' ' LEU . . . . . 0.429 HD23 ' O ' ' A' ' 102' ' ' SER . 1.9 mm? -64.18 -42.86 96.5 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.95 179.944 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 107' ' ' SER . . . . . . . . . . . . . 63.5 p -100.44 -9.35 22.24 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.839 -179.938 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 108' ' ' GLY . . . . . 0.605 ' O ' HD12 ' A' ' 113' ' ' ILE . . . -104.65 -1.94 43.28 Favored Glycine 0 N--CA 1.451 -0.355 0 C-N-CA 120.713 -0.756 . . . . 0.0 112.459 -179.995 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 109' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -135.84 9.43 3.32 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.865 0.364 . . . . 0.0 110.854 179.989 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 110' ' ' HIS . . . . . . . . . . . . . 10.5 t60 -131.75 -8.94 3.57 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.918 179.97 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 111' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -115.7 -35.11 4.62 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.883 -179.977 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 112' ' ' ILE . . . . . . . . . . . . . 13.1 tt -102.61 -40.83 7.26 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.095 -179.915 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 113' ' ' ILE . . . . . 0.605 HD12 ' O ' ' A' ' 108' ' ' GLY . 9.1 mt -97.76 -58.83 3.57 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.165 179.868 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 114' ' ' GLY . . . . . . . . . . . . . . . -60.18 -19.16 51.17 Favored Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.763 -0.732 . . . . 0.0 112.461 179.847 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 115' ' ' ARG . . . . . 0.452 ' O ' HG23 ' A' ' 119' ' ' VAL . 1.1 tmm_? -67.54 -57.15 7.0 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-O 120.92 0.391 . . . . 0.0 110.842 -179.802 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 116' ' ' THR . . . . . . . . . . . . . 9.0 t -72.3 -37.61 68.93 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.167 -0.469 . . . . 0.0 111.129 -179.88 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 117' ' ' LEU . . . . . . . . . . . . . 18.1 tp -62.98 -30.15 71.37 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.893 179.971 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 118' ' ' VAL . . . . . . . . . . . . . 72.8 t -97.63 -22.73 4.84 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.106 179.881 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 119' ' ' VAL . . . . . 0.452 HG23 ' O ' ' A' ' 115' ' ' ARG . 2.3 t -74.79 -58.6 4.41 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.36 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.16 179.894 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 120' ' ' HIS . . . . . 0.439 ' N ' HG12 ' A' ' 119' ' ' VAL . 0.3 OUTLIER -120.85 -32.5 3.97 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.872 179.921 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 121' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 C--N 1.329 -0.299 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.873 -179.935 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 21.6 m . . . . . 0 C--O 1.231 0.112 0 CA-C-O 120.729 0.3 . . . . 0.0 111.047 . . . . . . . . . 0 0 . 1 . 002 nuclear build core ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 4.3 tp60 -97.47 -49.7 4.8 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.898 -179.969 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -66.14 -35.37 90.39 Favored Glycine 0 N--CA 1.452 -0.241 0 C-N-CA 120.729 -0.748 . . . . 0.0 112.468 -179.939 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 61.4 mt -82.68 -21.2 9.43 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.353 0 CA-C-O 120.863 0.363 . . . . 0.0 111.18 -179.988 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 0.3 OUTLIER -64.35 -35.49 74.34 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 116.13 -0.486 . . . . 0.0 111.164 179.791 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 2.1 m-20 -94.99 -24.11 17.08 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.957 179.93 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 0.9 OUTLIER -81.64 -35.47 29.97 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.255 -0.429 . . . . 0.0 110.857 179.973 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 2.9 tt0 -85.29 -11.83 53.81 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.097 -0.502 . . . . 0.0 110.88 -179.854 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 48.0 mt-30 -99.86 -38.3 8.69 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.945 -179.914 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 4.5 mmpt? -78.93 -37.29 40.19 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.921 179.913 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 2.8 tt0 -86.07 9.87 15.98 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.919 179.937 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 3.6 m . . . . . 0 C--N 1.33 -0.282 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.854 -179.749 . . . . . . . . 0 0 . 1 . 002 nuclear build core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 5.5 mttp . . . . . 0 C--O 1.232 0.152 0 CA-C-O 120.784 0.326 . . . . 0.0 110.814 . . . . . . . . . 0 0 . 1 . 002 nuclear build core ' A' A ' 31' ' ' VAL . . . . . 0.454 ' O ' HG12 ' A' ' 31' ' ' VAL . 56.5 t -67.39 -11.3 13.71 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-N 116.244 -0.434 . . . . 0.0 111.118 179.955 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 32' ' ' TRP . . . . . . . . . . . . . 5.0 m95 -68.72 -7.45 33.75 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.941 179.902 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 134.48 13.4 1.29 Allowed Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.637 -0.792 . . . . 0.0 112.445 179.942 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 47.3 t -80.39 -63.36 1.43 Allowed 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 120.842 0.354 . . . . 0.0 110.883 -179.781 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 14.4 pt -57.55 -16.07 4.92 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.121 179.982 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -118.97 10.09 12.09 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.945 179.847 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -148.89 -67.79 0.01 OUTLIER Glycine 0 N--CA 1.45 -0.378 0 C-N-CA 120.778 -0.725 . . . . 0.0 112.517 179.953 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -69.79 -60.31 2.39 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.867 0.365 . . . . 0.0 110.944 -179.972 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -73.46 -19.81 60.86 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.151 179.952 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 40' ' ' GLU . . . . . 0.458 ' HA ' ' HA3' ' A' ' 44' ' ' GLY . 1.5 tt0 -91.21 -16.45 27.64 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.808 -179.971 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -107.69 -26.21 5.67 Favored Glycine 0 N--CA 1.45 -0.404 0 C-N-CA 120.779 -0.724 . . . . 0.0 112.584 179.991 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 42' ' ' LEU . . . . . 0.481 ' O ' HG23 ' A' ' 47' ' ' VAL . 0.3 OUTLIER -91.93 -39.75 11.53 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-O 120.884 0.373 . . . . 0.0 110.94 -179.929 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 43' ' ' HIS . . . . . . . . . . . . . 1.4 t60 -119.54 -16.55 8.87 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.883 179.899 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 44' ' ' GLY . . . . . 0.458 ' HA3' ' HA ' ' A' ' 40' ' ' GLU . . . -100.75 18.16 55.38 Favored Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.693 -0.765 . . . . 0.0 112.473 -179.964 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . 5.1 t80 -172.62 -30.56 0.01 OUTLIER 'General case' 0 C--N 1.331 -0.228 0 CA-C-O 120.867 0.365 . . . . 0.0 110.863 -179.919 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 46' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -84.33 -52.52 6.14 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.811 179.998 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 47' ' ' VAL . . . . . 0.481 HG23 ' O ' ' A' ' 42' ' ' LEU . 92.5 t -90.65 -28.19 4.94 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.129 -179.962 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 48' ' ' HIS . . . . . . . . . . . . . 40.3 m-70 -120.61 36.49 4.56 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.886 179.899 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 2.8 tt0 . . . . . 0 C--N 1.329 -0.309 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.916 -179.93 . . . . . . . . 0 0 . 1 . 002 nuclear build core ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--O 1.232 0.145 0 CA-C-O 120.913 0.387 . . . . 0.0 110.882 . . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 99' ' ' ILE . . . . . . . . . . . . . 46.1 mm -51.86 -41.97 31.62 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.202 179.842 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 100' ' ' GLU . . . . . . . . . . . . . 1.2 mt-10 -69.57 -35.6 75.53 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.862 179.951 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 101' ' ' ASP . . . . . . . . . . . . . 6.5 t70 -77.3 -16.01 59.16 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.84 179.997 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 102' ' ' SER . . . . . 0.53 ' O ' HD23 ' A' ' 106' ' ' LEU . 0.3 OUTLIER -97.76 -41.18 8.19 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.847 -179.707 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 103' ' ' VAL . . . . . 0.424 HG13 HG13 ' A' ' 104' ' ' ILE . 7.5 p -62.47 -25.18 37.24 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-N 116.118 -0.492 . . . . 0.0 111.112 179.863 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 104' ' ' ILE . . . . . 0.424 HG13 HG13 ' A' ' 103' ' ' VAL . 82.9 mt -95.66 -33.1 4.6 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.09 179.985 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 105' ' ' SER . . . . . . . . . . . . . 20.2 m -75.97 -26.6 56.95 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.854 -179.89 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 106' ' ' LEU . . . . . 0.53 HD23 ' O ' ' A' ' 102' ' ' SER . 1.4 mm? -63.04 -44.52 95.64 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.064 -0.516 . . . . 0.0 110.852 -179.972 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 107' ' ' SER . . . . . . . . . . . . . 72.6 p -100.37 -9.64 22.03 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.822 -179.783 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 108' ' ' GLY . . . . . . . . . . . . . . . -102.51 -3.64 50.04 Favored Glycine 0 N--CA 1.451 -0.347 0 C-N-CA 120.672 -0.775 . . . . 0.0 112.495 179.964 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 109' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -133.84 13.88 3.99 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.854 0.359 . . . . 0.0 110.913 179.976 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 110' ' ' HIS . . . . . . . . . . . . . 22.2 t-80 -124.51 -17.47 6.01 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.895 179.952 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 111' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -116.32 -28.45 6.51 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.324 -0.398 . . . . 0.0 110.946 -179.982 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 112' ' ' ILE . . . . . . . . . . . . . 31.8 mm -101.09 -45.33 11.37 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.11 -0.495 . . . . 0.0 111.177 179.956 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 113' ' ' ILE . . . . . . . . . . . . . 32.7 mm -98.16 -57.79 4.24 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.361 0 CA-C-N 116.119 -0.491 . . . . 0.0 111.085 179.887 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 114' ' ' GLY . . . . . . . . . . . . . . . -60.39 -16.11 41.66 Favored Glycine 0 N--CA 1.452 -0.234 0 C-N-CA 120.828 -0.701 . . . . 0.0 112.365 179.958 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 115' ' ' ARG . . . . . . . . . . . . . 1.6 ttt180 -75.96 -30.1 58.51 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-O 121.002 0.429 . . . . 0.0 110.892 -179.812 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 116' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -102.41 -44.23 5.44 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.229 -179.952 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 117' ' ' LEU . . . . . . . . . . . . . 2.5 tt -59.2 -20.85 57.55 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.987 179.937 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 118' ' ' VAL . . . . . . . . . . . . . 84.9 t -101.87 -35.26 4.05 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.26 0 CA-C-N 116.068 -0.514 . . . . 0.0 111.113 179.789 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 119' ' ' VAL . . . . . . . . . . . . . 57.4 t -85.68 -63.65 1.21 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.022 179.991 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 120' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER -98.04 39.85 1.21 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.876 -179.976 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 121' ' ' GLU . . . . . . . . . . . . . 5.5 pt-20 . . . . . 0 C--N 1.329 -0.297 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.86 -179.878 . . . . . . . . 0 0 . 1 . 003 nuclear build core ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 12.3 p . . . . . 0 C--O 1.23 0.077 0 CA-C-O 120.808 0.337 . . . . 0.0 111.15 . . . . . . . . . 0 0 . 1 . 003 nuclear build core ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 1.4 tp60 -97.18 -36.83 10.33 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.932 -179.937 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -83.71 -28.77 34.23 Favored Glycine 0 C--N 1.333 0.371 0 C-N-CA 120.662 -0.78 . . . . 0.0 112.467 -179.963 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 87.0 mt -84.72 -30.58 7.0 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.349 0 CA-C-O 120.799 0.333 . . . . 0.0 111.093 -179.969 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 1.0 OUTLIER -64.05 -33.93 65.39 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.15 179.921 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 2.6 m-20 -93.52 -23.21 18.43 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.834 179.982 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 3.1 m-85 -82.91 -34.89 26.51 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.885 -179.942 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 3.6 tt0 -85.29 -12.58 52.03 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.117 -0.492 . . . . 0.0 111.022 179.958 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 64.0 mt-30 -98.9 -40.25 8.18 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.88 -179.894 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 9.5 mmpt? -70.7 -38.33 73.65 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.251 -0.432 . . . . 0.0 110.948 179.913 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 1.3 tt0 -86.61 7.06 27.94 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.101 -0.499 . . . . 0.0 110.941 179.977 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 3.8 m . . . . . 0 C--N 1.329 -0.29 0 CA-C-N 116.072 -0.513 . . . . 0.0 110.944 -179.836 . . . . . . . . 0 0 . 1 . 003 nuclear build core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 5.6 mttt . . . . . 0 C--O 1.232 0.179 0 CA-C-O 120.74 0.305 . . . . 0.0 110.799 . . . . . . . . . 0 0 . 1 . 003 nuclear build core ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 8.4 p -54.49 -17.88 2.4 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-N 116.28 -0.418 . . . . 0.0 110.98 179.982 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 32' ' ' TRP . . . . . . . . . . . . . 59.0 t-105 -53.06 -56.43 16.21 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.933 -179.981 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -157.67 18.66 0.36 Allowed Glycine 0 N--CA 1.452 -0.269 0 C-N-CA 120.711 -0.757 . . . . 0.0 112.459 179.974 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 28.9 t -82.63 -61.6 1.84 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.838 0.352 . . . . 0.0 110.825 -179.7 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 35' ' ' ILE . . . . . 0.405 ' O ' ' HB2' ' A' ' 40' ' ' GLU . 1.1 mt -57.6 -15.53 4.22 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.175 179.939 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -120.47 12.41 11.59 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.928 179.83 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -150.44 -62.51 0.01 OUTLIER Glycine 0 N--CA 1.452 -0.254 0 C-N-CA 120.774 -0.727 . . . . 0.0 112.524 179.959 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 38' ' ' LEU . . . . . 0.781 HD23 HD11 ' A' ' 42' ' ' LEU . 10.2 mt -74.01 -56.72 4.6 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-O 120.807 0.337 . . . . 0.0 110.851 -179.848 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -79.49 -17.99 52.97 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.144 179.963 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 40' ' ' GLU . . . . . 0.405 ' HB2' ' O ' ' A' ' 35' ' ' ILE . 5.0 tp10 -94.34 -28.14 15.71 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.002 179.923 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 41' ' ' GLY . . . . . 0.407 ' HA2' ' HB3' ' A' ' 45' ' ' PHE . . . -100.25 -40.92 2.91 Favored Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.657 -0.782 . . . . 0.0 112.438 -179.972 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 42' ' ' LEU . . . . . 0.781 HD11 HD23 ' A' ' 38' ' ' LEU . 3.4 mt -91.24 -25.48 19.48 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-O 120.859 0.361 . . . . 0.0 110.951 -179.968 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 43' ' ' HIS . . . . . . . . . . . . . 0.7 OUTLIER -121.91 -5.48 9.06 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.874 179.961 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 44' ' ' GLY . . . . . 0.4 ' HA3' ' HA ' ' A' ' 40' ' ' GLU . . . -113.67 -23.71 4.94 Favored Glycine 0 N--CA 1.452 -0.296 0 C-N-CA 120.714 -0.755 . . . . 0.0 112.395 -179.834 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 45' ' ' PHE . . . . . 0.407 ' HB3' ' HA2' ' A' ' 41' ' ' GLY . 9.4 t80 -122.21 -20.66 6.13 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.926 0.393 . . . . 0.0 110.933 -179.932 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 46' ' ' HIS . . . . . . . . . . . . . 3.3 t-80 -99.32 -39.64 8.31 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.857 -179.97 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 47' ' ' VAL . . . . . 0.687 HG23 ' O ' ' A' ' 42' ' ' LEU . 78.6 t -97.61 -34.08 4.62 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.362 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.173 179.894 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 48' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER -103.38 -28.65 11.7 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.322 -0.399 . . . . 0.0 110.798 179.922 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 1.3 tp10 . . . . . 0 C--N 1.329 -0.32 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.796 -179.926 . . . . . . . . 0 0 . 1 . 003 nuclear build core ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--O 1.233 0.218 0 CA-C-O 120.774 0.321 . . . . 0.0 110.767 . . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 99' ' ' ILE . . . . . . . . . . . . . 2.1 mp -57.19 -40.59 74.51 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.346 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.17 179.931 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 100' ' ' GLU . . . . . . . . . . . . . 1.8 mp0 -71.07 -39.42 72.2 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.081 -0.509 . . . . 0.0 110.875 179.926 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 101' ' ' ASP . . . . . . . . . . . . . 11.3 t70 -73.78 -16.34 61.16 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.928 179.955 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 102' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -97.64 -41.81 7.95 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.837 -179.765 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 103' ' ' VAL . . . . . 0.418 HG13 HG13 ' A' ' 104' ' ' ILE . 7.3 p -63.83 -23.97 34.65 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.222 179.868 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 104' ' ' ILE . . . . . 0.418 HG13 HG13 ' A' ' 103' ' ' VAL . 66.1 mt -95.67 -30.93 4.05 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-N 116.051 -0.522 . . . . 0.0 111.112 179.962 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 105' ' ' SER . . . . . . . . . . . . . 79.3 p -78.83 -28.85 44.42 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.853 -179.946 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 106' ' ' LEU . . . . . . . . . . . . . 12.0 tp -64.0 -43.61 95.12 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.865 -179.967 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 107' ' ' SER . . . . . . . . . . . . . 60.3 p -100.15 -9.61 22.34 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.868 -179.905 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 108' ' ' GLY . . . . . 0.568 ' O ' HD12 ' A' ' 113' ' ' ILE . . . -103.85 -2.59 46.03 Favored Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 120.778 -0.725 . . . . 0.0 112.467 -179.9 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 109' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -135.6 13.11 3.46 Favored 'General case' 0 C--N 1.331 -0.209 0 CA-C-O 120.855 0.359 . . . . 0.0 110.769 -179.824 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 110' ' ' HIS . . . . . . . . . . . . . 9.3 t60 -131.55 -8.94 3.65 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.852 -179.945 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 111' ' ' CYS . . . . . . . . . . . . . 78.1 m -116.22 -33.19 5.08 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.866 -179.938 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 112' ' ' ILE . . . . . 0.42 HG23 ' N ' ' A' ' 113' ' ' ILE . 6.6 tt -103.54 -41.44 7.25 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.24 -0.437 . . . . 0.0 111.022 -179.88 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 113' ' ' ILE . . . . . 0.568 HD12 ' O ' ' A' ' 108' ' ' GLY . 4.7 mt -99.35 -59.6 3.19 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.224 -0.443 . . . . 0.0 111.062 179.938 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 114' ' ' GLY . . . . . . . . . . . . . . . -60.67 -24.4 62.09 Favored Glycine 0 N--CA 1.451 -0.334 0 C-N-CA 120.803 -0.713 . . . . 0.0 112.472 179.971 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 115' ' ' ARG . . . . . . . . . . . . . 3.4 tmt_? -74.59 -13.32 60.64 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.844 0.354 . . . . 0.0 110.778 -179.797 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 116' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -102.96 -33.25 9.37 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.317 -0.401 . . . . 0.0 111.104 -179.899 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 117' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -88.64 -29.02 20.26 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.3 -0.409 . . . . 0.0 110.846 -179.989 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 118' ' ' VAL . . . . . . . . . . . . . 9.3 t -102.83 -64.43 1.56 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.101 -0.5 . . . . 0.0 111.156 179.845 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 119' ' ' VAL . . . . . . . . . . . . . 2.3 t -64.45 -31.06 51.99 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.255 0 CA-C-N 116.116 -0.493 . . . . 0.0 111.101 179.995 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 120' ' ' HIS . . . . . . . . . . . . . 0.5 OUTLIER -120.31 38.0 4.1 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.765 179.941 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 121' ' ' GLU . . . . . . . . . . . . . 45.3 tt0 . . . . . 0 C--N 1.328 -0.341 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.924 -179.991 . . . . . . . . 0 0 . 1 . 004 nuclear build core ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 31.4 m . . . . . 0 C--O 1.231 0.105 0 CA-C-O 120.76 0.314 . . . . 0.0 111.11 . . . . . . . . . 0 0 . 1 . 004 nuclear build core ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 37.0 tp60 -97.72 -49.59 4.78 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.913 179.999 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -66.14 -35.08 89.99 Favored Glycine 0 N--CA 1.449 -0.454 0 C-N-CA 120.748 -0.739 . . . . 0.0 112.505 -179.944 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 61.1 mt -82.85 -21.42 9.19 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.256 0 CA-C-O 120.824 0.345 . . . . 0.0 111.119 -179.941 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 0.3 OUTLIER -64.66 -35.13 73.99 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.253 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.213 179.767 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 5.5 m-20 -94.73 -23.7 17.44 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.873 179.919 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 0.9 OUTLIER -82.88 -33.38 26.97 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.83 -179.921 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 2.0 tt0 -83.49 -14.03 53.3 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.837 -179.887 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -100.37 -33.41 10.39 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.898 -179.974 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 76.4 mttt -84.0 -37.76 21.79 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.288 -0.415 . . . . 0.0 110.934 179.91 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 4.5 tt0 -85.95 9.98 15.35 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.822 -179.964 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 3.9 m . . . . . 0 C--N 1.33 -0.261 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.783 -179.747 . . . . . . . . 0 0 . 1 . 004 nuclear build core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 7.9 mttp . . . . . 0 C--O 1.231 0.11 0 CA-C-O 120.766 0.317 . . . . 0.0 110.856 . . . . . . . . . 0 0 . 1 . 004 nuclear build core ' A' A ' 31' ' ' VAL . . . . . 0.412 ' O ' HG12 ' A' ' 31' ' ' VAL . 65.0 t -60.99 -15.8 12.82 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.29 -0.414 . . . . 0.0 111.147 179.896 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 32' ' ' TRP . . . . . . . . . . . . . 0.0 OUTLIER -64.94 -57.8 7.8 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.055 179.958 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -158.74 15.76 0.25 Allowed Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.707 -0.759 . . . . 0.0 112.468 179.843 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 34' ' ' SER . . . . . 0.404 ' HA ' ' H ' ' A' ' 38' ' ' LEU . 23.3 t -82.56 -63.38 1.38 Allowed 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 120.791 0.329 . . . . 0.0 110.82 -179.747 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 35' ' ' ILE . . . . . 0.445 ' O ' ' HB2' ' A' ' 40' ' ' GLU . 15.3 pt -57.26 -14.87 2.81 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 116.101 -0.5 . . . . 0.0 111.123 179.936 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -121.17 10.91 10.77 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.916 179.888 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -148.39 -63.49 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.717 -0.754 . . . . 0.0 112.509 179.874 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 38' ' ' LEU . . . . . 0.46 HD22 HD11 ' A' ' 42' ' ' LEU . 75.8 mt -74.46 -56.41 4.88 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.953 0.406 . . . . 0.0 110.904 -179.895 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -77.56 -18.0 57.34 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.132 -0.485 . . . . 0.0 111.213 179.809 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 40' ' ' GLU . . . . . 0.445 ' HB2' ' O ' ' A' ' 35' ' ' ILE . 0.3 OUTLIER -94.82 -25.69 16.52 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.288 -0.415 . . . . 0.0 110.867 -179.986 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -101.6 -40.12 2.81 Favored Glycine 0 N--CA 1.45 -0.396 0 C-N-CA 120.789 -0.72 . . . . 0.0 112.499 -179.917 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 42' ' ' LEU . . . . . 0.582 ' O ' HG23 ' A' ' 47' ' ' VAL . 5.3 mt -90.53 -27.02 19.45 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-O 120.749 0.309 . . . . 0.0 110.89 -179.991 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 43' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -120.21 -11.34 9.22 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.799 179.898 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 44' ' ' GLY . . . . . 0.406 ' HA3' ' HA ' ' A' ' 40' ' ' GLU . . . -106.2 -24.06 7.03 Favored Glycine 0 N--CA 1.451 -0.354 0 C-N-CA 120.77 -0.728 . . . . 0.0 112.518 -179.936 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . 18.7 t80 -122.64 -15.2 7.58 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.944 0.402 . . . . 0.0 110.897 -179.894 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 46' ' ' HIS . . . . . . . . . . . . . 0.6 OUTLIER -103.13 -50.79 3.4 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.862 179.95 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 47' ' ' VAL . . . . . 0.582 HG23 ' O ' ' A' ' 42' ' ' LEU . 89.7 t -83.9 -61.75 1.67 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.17 179.993 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 48' ' ' HIS . . . . . . . . . . . . . 16.8 m80 -73.76 -55.41 6.27 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.872 179.92 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 C--N 1.33 -0.276 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.823 -179.946 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 7.1 t . . . . . 0 C--O 1.232 0.14 0 CA-C-O 120.653 0.263 . . . . 0.0 110.75 . . . . . . . . . 0 0 . 1 . 004 nuclear build core ' A' A ' 99' ' ' ILE . . . . . . . . . . . . . 48.2 mt -51.99 -42.77 34.99 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.365 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.179 179.876 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 100' ' ' GLU . . . . . 0.412 ' HA ' HG12 ' A' ' 103' ' ' VAL . 7.6 mt-10 -68.47 -35.97 78.3 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.884 -179.984 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 101' ' ' ASP . . . . . . . . . . . . . 6.5 t70 -76.96 -16.53 59.32 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.878 179.908 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 102' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -97.54 -36.31 10.35 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.298 -0.41 . . . . 0.0 110.953 -179.818 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 103' ' ' VAL . . . . . 0.412 HG12 ' HA ' ' A' ' 100' ' ' GLU . 8.6 p -69.86 -24.43 26.67 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.26 0 CA-C-N 116.029 -0.532 . . . . 0.0 111.196 179.963 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 104' ' ' ILE . . . . . . . . . . . . . 46.8 mm -95.54 -26.06 4.35 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.084 -0.507 . . . . 0.0 111.146 179.906 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 105' ' ' SER . . . . . . . . . . . . . 62.1 p -87.03 -23.13 25.08 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.839 -179.903 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 106' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -85.82 -37.76 18.88 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.123 -0.49 . . . . 0.0 111.0 -179.94 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 107' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -98.28 -37.1 9.79 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 116.05 -0.523 . . . . 0.0 110.893 -179.97 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 108' ' ' GLY . . . . . . . . . . . . . . . -78.22 0.37 74.32 Favored Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.656 -0.783 . . . . 0.0 112.499 179.984 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 109' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -133.96 18.62 3.8 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.912 0.387 . . . . 0.0 110.95 179.995 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 110' ' ' HIS . . . . . . . . . . . . . 15.5 t60 -119.57 -39.5 2.87 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.84 -179.941 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 111' ' ' CYS . . . . . 0.551 ' O ' ' N ' ' A' ' 115' ' ' ARG . 1.6 p -118.27 -51.46 2.42 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.886 -179.87 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 112' ' ' ILE . . . . . . . . . . . . . 51.2 mm -46.96 -25.7 0.67 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.107 -0.497 . . . . 0.0 111.108 -179.946 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 113' ' ' ILE . . . . . . . . . . . . . 61.5 mt -100.94 -49.25 11.13 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.115 179.919 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 114' ' ' GLY . . . . . . . . . . . . . . . -82.1 -46.97 6.36 Favored Glycine 0 N--CA 1.452 -0.255 0 C-N-CA 120.758 -0.734 . . . . 0.0 112.448 179.887 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 115' ' ' ARG . . . . . 0.551 ' N ' ' O ' ' A' ' 111' ' ' CYS . 1.6 tmm_? -50.21 -25.33 3.53 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-O 120.881 0.372 . . . . 0.0 110.781 -179.771 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 116' ' ' THR . . . . . 0.401 HG23 ' N ' ' A' ' 117' ' ' LEU . 9.7 t -100.83 -40.98 7.04 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.288 -0.415 . . . . 0.0 111.223 -179.926 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 117' ' ' LEU . . . . . 0.401 ' N ' HG23 ' A' ' 116' ' ' THR . 7.7 tt -65.59 -19.08 65.77 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.954 179.866 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 118' ' ' VAL . . . . . . . . . . . . . 60.2 t -102.34 -44.25 10.08 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.148 179.789 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 119' ' ' VAL . . . . . . . . . . . . . 88.2 t -79.36 -59.67 2.8 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.117 179.911 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 120' ' ' HIS . . . . . . . . . . . . . 32.6 m170 -98.79 39.07 1.29 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.866 179.936 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 121' ' ' GLU . . . . . . . . . . . . . 35.4 tt0 . . . . . 0 C--N 1.329 -0.293 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.965 180.0 . . . . . . . . 0 0 . 1 . 005 nuclear build core ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 22.7 m . . . . . 0 CA--C 1.523 -0.062 0 CA-C-O 120.87 0.367 . . . . 0.0 111.222 . . . . . . . . . 0 0 . 1 . 005 nuclear build core ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 46.3 tp60 -96.65 -42.52 7.99 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.955 -179.959 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -73.75 -29.37 63.42 Favored Glycine 0 N--CA 1.45 -0.383 0 C-N-CA 120.782 -0.723 . . . . 0.0 112.486 -179.984 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 5.0 tp -84.55 -27.64 6.9 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 CA-C-O 120.742 0.306 . . . . 0.0 111.031 -179.889 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 0.8 OUTLIER -63.57 -34.55 68.32 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.127 179.853 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 2.0 m-20 -94.93 -24.1 17.13 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.875 179.947 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 3.1 m-85 -81.06 -36.09 30.94 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.926 -179.989 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 1.1 tp10 -85.78 -11.33 53.77 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.872 -179.955 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 4.5 tp60 -99.82 -38.63 8.57 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.865 -179.838 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 7.2 mmtm -80.59 -33.01 36.33 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.933 179.951 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 5.2 tt0 -89.26 8.75 28.81 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.224 -0.443 . . . . 0.0 110.973 179.883 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 4.7 m . . . . . 0 C--N 1.329 -0.313 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.896 -179.808 . . . . . . . . 0 0 . 1 . 005 nuclear build core ' A' A ' 30' ' ' LYS . . . . . 0.583 ' HG2' HG23 ' A' ' 35' ' ' ILE . 25.5 ttmt . . . . . 0 C--O 1.231 0.12 0 CA-C-O 120.793 0.33 . . . . 0.0 110.917 . . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 99.2 t -60.45 -20.96 21.88 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.111 179.97 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 32' ' ' TRP . . . . . . . . . . . . . 4.6 t-105 -55.94 -57.75 10.77 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.949 179.965 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -165.13 18.5 0.1 Allowed Glycine 0 N--CA 1.451 -0.342 0 C-N-CA 120.781 -0.724 . . . . 0.0 112.504 179.964 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 48.2 t -82.74 -64.15 1.23 Allowed 'General case' 0 C--N 1.328 -0.368 0 CA-C-O 120.791 0.329 . . . . 0.0 110.832 -179.661 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 35' ' ' ILE . . . . . 0.583 HG23 ' HG2' ' A' ' 30' ' ' LYS . 15.6 pt -57.69 -15.52 4.38 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.161 179.842 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -119.84 14.53 12.5 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.862 179.857 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -154.98 -62.26 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 120.795 -0.717 . . . . 0.0 112.403 179.947 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 38' ' ' LEU . . . . . 0.536 ' HG ' HD12 ' A' ' 42' ' ' LEU . 3.6 tp -71.42 -56.93 4.98 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-O 120.865 0.364 . . . . 0.0 110.915 -179.836 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 3.9 m -82.78 -16.39 48.08 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.057 -0.519 . . . . 0.0 111.133 179.956 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -93.86 -27.4 16.44 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.28 -0.418 . . . . 0.0 110.893 179.993 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -100.4 -40.19 3.05 Favored Glycine 0 N--CA 1.452 -0.273 0 C-N-CA 120.699 -0.762 . . . . 0.0 112.479 179.965 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 42' ' ' LEU . . . . . 0.596 ' O ' HG23 ' A' ' 47' ' ' VAL . 5.0 mt -91.71 -25.88 18.87 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.803 0.335 . . . . 0.0 110.884 -179.941 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 43' ' ' HIS . . . . . . . . . . . . . 0.9 OUTLIER -121.89 -5.08 9.08 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.284 -0.416 . . . . 0.0 110.768 179.958 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . -114.1 -22.72 5.16 Favored Glycine 0 N--CA 1.45 -0.37 0 C-N-CA 120.817 -0.706 . . . . 0.0 112.515 -179.948 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . 12.0 t80 -121.13 -20.61 6.72 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 120.946 0.403 . . . . 0.0 110.926 -179.91 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 46' ' ' HIS . . . . . . . . . . . . . 8.3 t-80 -101.68 -34.92 9.28 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.873 179.921 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 47' ' ' VAL . . . . . 0.596 HG23 ' O ' ' A' ' 42' ' ' LEU . 92.7 t -101.67 -23.48 4.37 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.115 179.988 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 48' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER -117.13 -27.07 6.59 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.86 179.981 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 32.7 mt-10 . . . . . 0 C--N 1.33 -0.277 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.846 -179.898 . . . . . . . . 0 0 . 1 . 005 nuclear build core ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--O 1.233 0.196 0 CA-C-O 120.836 0.35 . . . . 0.0 110.858 . . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 99' ' ' ILE . . . . . 0.475 ' O ' HG23 ' A' ' 103' ' ' VAL . 0.9 OUTLIER -50.83 -42.84 23.81 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.132 179.948 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 100' ' ' GLU . . . . . . . . . . . . . 1.2 mt-10 -64.53 -30.8 71.83 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.849 179.941 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 101' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -86.6 -16.04 37.95 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.861 -179.971 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 102' ' ' SER . . . . . . . . . . . . . 1.5 t -94.61 -36.47 11.78 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.829 -179.7 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 103' ' ' VAL . . . . . 0.475 HG23 ' O ' ' A' ' 99' ' ' ILE . 92.9 t -74.85 -23.33 17.54 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.233 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.129 179.947 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 104' ' ' ILE . . . . . . . . . . . . . 83.6 mt -94.8 -26.92 4.3 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.326 0 CA-C-N 116.281 -0.418 . . . . 0.0 111.084 179.897 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 105' ' ' SER . . . . . . . . . . . . . 30.8 t -87.42 -21.26 25.69 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.899 -179.905 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 106' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -86.17 -39.1 17.0 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.842 -179.994 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 107' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -98.44 -34.18 10.74 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.799 -179.805 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 108' ' ' GLY . . . . . . . . . . . . . . . -81.06 2.99 78.95 Favored Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.78 -0.724 . . . . 0.0 112.557 179.939 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 109' ' ' ASP . . . . . 0.493 ' CG ' HD12 ' A' ' 113' ' ' ILE . 0.8 OUTLIER -133.6 6.44 3.76 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 120.822 0.344 . . . . 0.0 110.836 179.993 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 110' ' ' HIS . . . . . . . . . . . . . 46.7 t60 -124.79 -18.25 5.64 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.835 -179.931 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 111' ' ' CYS . . . . . . . . . . . . . 3.1 t -116.09 -29.5 6.28 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.895 -179.868 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 112' ' ' ILE . . . . . . . . . . . . . 64.3 mt -100.64 -43.66 10.8 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.348 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.194 -179.996 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 113' ' ' ILE . . . . . 0.493 HD12 ' CG ' ' A' ' 109' ' ' ASP . 46.1 mt -98.23 -58.18 3.99 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.119 179.868 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 114' ' ' GLY . . . . . 0.579 ' O ' HG13 ' A' ' 118' ' ' VAL . . . -58.46 -26.0 58.82 Favored Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.753 -0.737 . . . . 0.0 112.477 179.846 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 115' ' ' ARG . . . . . 0.573 ' O ' HG23 ' A' ' 119' ' ' VAL . 0.1 OUTLIER -60.17 -59.04 6.04 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.877 0.37 . . . . 0.0 110.91 -179.855 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 116' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -71.41 -16.15 62.39 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.132 -179.923 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 117' ' ' LEU . . . . . . . . . . . . . 4.5 tt -84.66 -29.17 25.9 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.953 179.921 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 118' ' ' VAL . . . . . 0.579 HG13 ' O ' ' A' ' 114' ' ' GLY . 15.5 m -99.73 -29.53 3.35 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.179 179.811 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 119' ' ' VAL . . . . . 0.573 HG23 ' O ' ' A' ' 115' ' ' ARG . 7.5 t -61.06 -71.08 0.12 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.117 -0.492 . . . . 0.0 111.037 179.958 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 120' ' ' HIS . . . . . 0.498 ' N ' HG12 ' A' ' 119' ' ' VAL . 33.9 m170 -133.48 -35.26 1.01 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.902 -180.0 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 121' ' ' GLU . . . . . . . . . . . . . 5.2 tt0 . . . . . 0 C--N 1.33 -0.27 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.943 -179.921 . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 1' ' ' ALA . . . . . 0.886 ' HB3' HD22 ' A' ' 8' ' ' LEU . . . . . . . . 0 C--O 1.232 0.153 0 CA-C-O 120.817 0.342 . . . . 0.0 111.111 . . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 2' ' ' THR . . . . . 0.564 HG23 ' CD ' ' A' ' 3' ' ' LYS . 0.0 OUTLIER 178.92 -38.28 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.159 -179.854 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 3' ' ' LYS . . . . . 0.564 ' CD ' HG23 ' A' ' 2' ' ' THR . 0.0 OUTLIER -167.57 24.12 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.87 179.876 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -87.31 -20.19 27.16 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.258 -0.428 . . . . 0.0 111.124 179.817 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 24.9 t -118.89 -47.68 3.49 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.103 -179.991 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 6' ' ' CYS . . . . . 0.428 ' O ' ' C ' ' A' ' 7' ' ' VAL . 2.4 t -176.16 79.49 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.911 -179.945 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 7' ' ' VAL . . . . . 0.428 ' C ' ' O ' ' A' ' 6' ' ' CYS . 14.4 m 35.21 57.95 0.15 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.141 -179.974 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 8' ' ' LEU . . . . . 0.886 HD22 ' HB3' ' A' ' 1' ' ' ALA . 0.2 OUTLIER -60.92 -18.31 56.05 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.917 179.992 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 2.6 tppp? -93.44 -1.92 55.17 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.91 179.798 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -139.52 50.4 0.78 Allowed Glycine 0 N--CA 1.451 -0.355 0 C-N-CA 120.808 -0.711 . . . . 0.0 112.483 179.929 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 3.4 m-20 -137.73 21.97 2.89 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-O 120.829 0.347 . . . . 0.0 110.909 179.941 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 12' ' ' GLY . . . . . 0.527 ' N ' ' CD ' ' A' ' 13' ' ' PRO . . . 61.36 47.01 93.21 Favored Glycine 0 N--CA 1.452 -0.292 0 C-N-CA 120.695 -0.764 . . . . 0.0 112.531 -179.953 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 13' ' ' PRO . . . . . 0.527 ' CD ' ' N ' ' A' ' 12' ' ' GLY . 53.5 Cg_endo -69.77 -56.5 0.14 Allowed 'Trans proline' 0 C--N 1.342 0.213 0 C-N-CA 122.645 2.23 . . . . 0.0 112.313 -179.924 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 32.8 m -90.87 -17.31 7.86 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.13 179.966 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 11.3 tp60 -97.64 -49.34 4.89 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.872 -179.96 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -66.37 -33.91 86.33 Favored Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.689 -0.767 . . . . 0.0 112.488 -179.953 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 61.7 mt -83.54 -22.81 8.3 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.347 0 CA-C-O 120.824 0.345 . . . . 0.0 111.189 179.943 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 0.3 OUTLIER -64.77 -36.99 79.02 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.354 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.08 179.893 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 1.0 OUTLIER -94.68 -23.12 17.72 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.911 179.903 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 3.4 m-85 -81.8 -35.89 29.01 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.918 179.998 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 61.2 tt0 -85.39 -11.0 55.54 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.914 -179.951 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 67.7 mt-30 -100.65 -36.12 9.25 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.895 -179.912 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 5.0 mmtm -82.19 -35.27 28.49 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.857 -179.985 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 9.2 tt0 -82.73 0.99 40.99 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.876 -179.975 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 2.1 m -117.55 3.71 12.42 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.75 -179.79 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 28.2 m-80 -141.61 -38.3 0.4 Allowed 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.897 -179.967 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 27' ' ' GLY . . . . . 0.408 ' C ' ' H ' ' A' ' 29' ' ' VAL . . . -57.69 -80.83 0.08 OUTLIER Glycine 0 N--CA 1.451 -0.306 0 C-N-CA 120.775 -0.726 . . . . 0.0 112.434 -179.988 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.72 9.9 0.54 Allowed 'Trans proline' 0 C--O 1.231 0.173 0 C-N-CA 122.781 2.321 . . . . 0.0 112.294 -179.913 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 29' ' ' VAL . . . . . 0.408 ' H ' ' C ' ' A' ' 27' ' ' GLY . 21.9 t -108.87 -44.36 6.42 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.129 179.947 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -103.44 -40.01 6.54 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.911 179.898 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 11.5 t -69.07 -12.82 16.51 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.176 179.836 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 32' ' ' TRP . . . . . . . . . . . . . 0.9 OUTLIER -130.88 36.57 3.87 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.097 -0.502 . . . . 0.0 110.969 179.982 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -178.64 -38.99 0.06 OUTLIER Glycine 0 N--CA 1.452 -0.255 0 C-N-CA 120.733 -0.746 . . . . 0.0 112.474 -179.939 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 48.3 t -81.29 -62.17 1.73 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.821 0.343 . . . . 0.0 110.852 -179.698 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 35' ' ' ILE . . . . . 0.442 ' O ' ' HB2' ' A' ' 40' ' ' GLU . 1.2 mt -58.21 -14.47 3.84 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.087 179.972 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 3.3 mptt -121.32 11.01 10.69 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.866 179.87 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -148.55 -63.49 0.01 OUTLIER Glycine 0 N--CA 1.45 -0.387 0 C-N-CA 120.73 -0.747 . . . . 0.0 112.471 179.98 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 38' ' ' LEU . . . . . 0.498 HD23 HD11 ' A' ' 42' ' ' LEU . 36.3 mt -73.9 -56.59 4.78 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 120.939 0.399 . . . . 0.0 110.928 -179.929 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -77.84 -18.88 55.8 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.134 179.942 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 40' ' ' GLU . . . . . 0.442 ' HB2' ' O ' ' A' ' 35' ' ' ILE . 0.3 OUTLIER -93.95 -25.32 17.32 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.884 179.965 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 41' ' ' GLY . . . . . 0.403 ' HA2' ' HB3' ' A' ' 45' ' ' PHE . . . -101.04 -40.92 2.73 Favored Glycine 0 N--CA 1.451 -0.36 0 C-N-CA 120.759 -0.734 . . . . 0.0 112.516 -179.988 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 42' ' ' LEU . . . . . 0.728 ' O ' HG23 ' A' ' 47' ' ' VAL . 4.1 mt -90.84 -26.08 19.58 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-O 120.837 0.351 . . . . 0.0 110.97 -179.981 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 43' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -121.78 -6.1 9.1 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.818 179.906 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 44' ' ' GLY . . . . . 0.412 ' HA3' ' HA ' ' A' ' 40' ' ' GLU . . . -112.62 -22.29 5.8 Favored Glycine 0 N--CA 1.45 -0.369 0 C-N-CA 120.749 -0.739 . . . . 0.0 112.476 -179.927 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 45' ' ' PHE . . . . . 0.403 ' HB3' ' HA2' ' A' ' 41' ' ' GLY . 8.4 t80 -120.56 -24.09 5.89 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-O 120.917 0.389 . . . . 0.0 110.918 -179.921 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 46' ' ' HIS . . . . . . . . . . . . . 2.6 t-80 -96.63 -63.58 1.13 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.84 179.966 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 47' ' ' VAL . . . . . 0.728 HG23 ' O ' ' A' ' 42' ' ' LEU . 47.7 t -70.83 -61.7 1.58 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.119 -179.999 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 48' ' ' HIS . . . . . . . . . . . . . 24.2 m170 -68.0 -22.97 64.97 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.858 179.93 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER 54.37 39.72 31.17 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.942 -179.85 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 50' ' ' PHE . . . . . . . . . . . . . 0.3 OUTLIER 60.09 22.16 11.38 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.88 -179.873 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . -174.72 -90.92 0.08 OUTLIER Glycine 0 N--CA 1.451 -0.3 0 C-N-CA 120.747 -0.74 . . . . 0.0 112.503 -179.94 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 4.1 m-20 -151.68 60.89 0.87 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.787 0.327 . . . . 0.0 110.8 -179.977 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 53' ' ' ASN . . . . . . . . . . . . . 4.0 m120 68.96 -72.8 0.1 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.916 -179.925 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 54' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -159.84 22.8 0.17 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.2 -179.961 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 55' ' ' ALA . . . . . 0.688 ' O ' ' HB3' ' A' ' 60' ' ' ALA . . . 49.19 32.02 3.96 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.104 179.945 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . -128.35 -32.07 0.64 Allowed Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.776 -0.726 . . . . 0.0 112.522 179.971 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 57' ' ' CYS . . . . . . . . . . . . . 33.5 m -131.7 24.12 4.69 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-O 120.859 0.361 . . . . 0.0 110.852 -179.917 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 58' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -165.98 24.93 0.05 OUTLIER 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.116 -179.914 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -171.87 -36.39 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.867 -179.878 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 60' ' ' ALA . . . . . 0.688 ' HB3' ' O ' ' A' ' 55' ' ' ALA . . . -136.4 34.46 2.75 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.092 179.863 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . -87.84 -166.09 42.02 Favored Glycine 0 N--CA 1.452 -0.271 0 C-N-CA 120.726 -0.75 . . . . 0.0 112.47 179.993 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 62' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.78 79.18 0.97 Allowed 'Trans proline' 0 C--N 1.342 0.186 0 C-N-CA 122.694 2.263 . . . . 0.0 112.357 -179.944 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 63' ' ' HIS . . . . . . . . . . . . . 11.1 p-80 -178.8 128.69 0.11 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.84 179.929 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 64' ' ' PHE . . . . . . . . . . . . . 26.3 m-85 -95.69 14.33 23.46 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.844 -179.94 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 65' ' ' ASN . . . . . . . . . . . . . 11.0 p-10 -163.42 80.94 1.54 Allowed Pre-proline 0 C--N 1.329 -0.298 0 CA-C-O 121.607 0.718 . . . . 0.0 110.89 -179.983 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 66' ' ' PRO . . . . . 0.403 ' HG2' ' HA ' ' A' ' 70' ' ' LYS . 54.2 Cg_endo -69.69 -52.31 0.34 Allowed 'Trans proline' 0 C--O 1.232 0.199 0 C-N-CA 122.663 2.242 . . . . 0.0 112.344 179.949 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 67' ' ' LEU . . . . . 0.459 HD23 HH11 ' A' ' 69' ' ' ARG . 6.9 tp -151.7 41.51 0.69 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.935 -179.991 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 8.3 t 44.33 43.39 6.0 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.902 -179.905 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 69' ' ' ARG . . . . . 0.459 HH11 HD23 ' A' ' 67' ' ' LEU . 0.5 OUTLIER 179.98 -31.19 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.905 -179.943 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 70' ' ' LYS . . . . . 0.403 ' HA ' ' HG2' ' A' ' 66' ' ' PRO . 0.0 OUTLIER 73.75 52.17 0.11 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.945 179.987 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 71' ' ' HIS . . . . . . . . . . . . . 1.8 t-80 55.67 101.73 0.01 OUTLIER 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.874 179.925 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . 89.57 -41.01 3.01 Favored Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.793 -0.717 . . . . 0.0 112.574 -179.882 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . 118.06 -80.5 0.31 Allowed Glycine 0 N--CA 1.45 -0.381 0 C-N-CA 120.735 -0.745 . . . . 0.0 112.495 -179.988 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 74' ' ' PRO . . . . . . . . . . . . . 53.2 Cg_endo -69.79 -170.95 0.43 Allowed 'Trans proline' 0 C--N 1.342 0.205 0 C-N-CA 122.662 2.241 . . . . 0.0 112.312 -179.922 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 65.39 152.56 0.06 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.958 179.889 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 3.3 m-20 54.1 31.78 14.45 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 116.287 -0.415 . . . . 0.0 110.822 179.846 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 12.3 pt-20 -171.27 -41.15 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.896 -179.899 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 1.8 mm-40 -103.39 -57.7 2.0 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.906 -179.891 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 79' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -85.61 4.93 34.04 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.869 -179.923 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 80' ' ' HIS . . . . . 0.646 ' O ' HG13 ' A' ' 81' ' ' VAL . 1.7 t-160 -98.74 -23.31 15.47 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.85 -179.933 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 81' ' ' VAL . . . . . 0.646 HG13 ' O ' ' A' ' 80' ' ' HIS . 0.0 OUTLIER -167.05 37.63 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.114 -179.987 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . -55.31 -20.35 21.75 Favored Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.694 -0.765 . . . . 0.0 112.5 179.995 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 83' ' ' ASP . . . . . 0.482 ' HA ' HG12 ' A' ' 87' ' ' VAL . 3.8 m-20 66.06 38.24 4.89 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.851 0.358 . . . . 0.0 110.864 -179.978 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 84' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -170.04 28.87 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.894 -179.998 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 85' ' ' GLY . . . . . 0.407 ' O ' ' HB3' ' A' ' 89' ' ' ALA . . . 165.49 -12.1 0.07 OUTLIER Glycine 0 N--CA 1.452 -0.253 0 C-N-CA 120.705 -0.76 . . . . 0.0 112.464 179.929 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 86' ' ' ASN . . . . . . . . . . . . . 3.1 t-20 -110.3 -25.55 10.06 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.912 0.387 . . . . 0.0 110.905 -179.877 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 87' ' ' VAL . . . . . 0.482 HG12 ' HA ' ' A' ' 83' ' ' ASP . 7.1 p -119.09 13.66 6.91 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.24 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.171 179.874 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 88' ' ' THR . . . . . 0.4 ' HA ' ' H ' ' A' ' 92' ' ' ASP . 0.0 OUTLIER -139.34 -42.15 0.46 Allowed 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.129 -179.988 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 89' ' ' ALA . . . . . 0.407 ' HB3' ' O ' ' A' ' 85' ' ' GLY . . . -52.89 -34.6 55.53 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.263 -0.426 . . . . 0.0 111.054 179.895 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 90' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -110.67 3.89 19.66 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.855 -179.968 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 91' ' ' LYS . . . . . . . . . . . . . 46.6 tptt -120.04 -77.07 0.58 Allowed 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.811 179.998 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 92' ' ' ASP . . . . . 0.4 ' H ' ' HA ' ' A' ' 88' ' ' THR . 18.2 m-20 -49.07 -39.44 27.71 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.297 -0.41 . . . . 0.0 110.834 179.971 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . -50.72 -17.91 2.37 Favored Glycine 0 N--CA 1.451 -0.356 0 C-N-CA 120.774 -0.727 . . . . 0.0 112.518 -179.949 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 94' ' ' VAL . . . . . . . . . . . . . 0.6 OUTLIER -127.21 -24.57 1.51 Allowed 'Isoleucine or valine' 0 C--N 1.331 -0.225 0 CA-C-O 120.838 0.352 . . . . 0.0 111.123 -179.972 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . -111.04 32.56 5.19 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.127 179.866 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 96' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -177.86 -27.21 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.946 179.939 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 97' ' ' VAL . . . . . 0.476 ' O ' HG12 ' A' ' 97' ' ' VAL . 4.3 t -116.97 22.19 5.94 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.187 -0.461 . . . . 0.0 111.046 -179.982 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 22.9 t -140.94 -43.18 0.39 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.807 -179.838 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 99' ' ' ILE . . . . . . . . . . . . . 44.3 mt -57.15 -42.32 79.47 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.145 -0.48 . . . . 0.0 111.155 179.957 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 100' ' ' GLU . . . . . . . . . . . . . 13.8 mt-10 -69.93 -36.1 75.06 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.938 179.923 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 101' ' ' ASP . . . . . . . . . . . . . 3.1 t70 -77.22 -16.18 59.17 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.925 179.917 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 102' ' ' SER . . . . . 0.429 ' O ' HD23 ' A' ' 106' ' ' LEU . 0.3 OUTLIER -97.83 -39.71 8.88 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.775 -179.675 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 103' ' ' VAL . . . . . . . . . . . . . 8.3 p -64.95 -24.96 36.6 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.131 179.9 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 104' ' ' ILE . . . . . . . . . . . . . 44.2 mm -95.47 -29.03 3.98 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.164 179.921 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 105' ' ' SER . . . . . . . . . . . . . 5.6 m -79.63 -30.0 41.2 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.884 -179.953 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 106' ' ' LEU . . . . . 0.429 HD23 ' O ' ' A' ' 102' ' ' SER . 1.9 mm? -64.18 -42.86 96.5 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.95 179.944 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 107' ' ' SER . . . . . . . . . . . . . 63.5 p -100.44 -9.35 22.24 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.839 -179.938 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 108' ' ' GLY . . . . . 0.605 ' O ' HD12 ' A' ' 113' ' ' ILE . . . -104.65 -1.94 43.28 Favored Glycine 0 N--CA 1.451 -0.355 0 C-N-CA 120.713 -0.756 . . . . 0.0 112.459 -179.995 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 109' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -135.84 9.43 3.32 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.865 0.364 . . . . 0.0 110.854 179.989 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 110' ' ' HIS . . . . . . . . . . . . . 10.5 t60 -131.75 -8.94 3.57 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.918 179.97 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 111' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -115.7 -35.11 4.62 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.883 -179.977 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 112' ' ' ILE . . . . . . . . . . . . . 13.1 tt -102.61 -40.83 7.26 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.095 -179.915 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 113' ' ' ILE . . . . . 0.605 HD12 ' O ' ' A' ' 108' ' ' GLY . 9.1 mt -97.76 -58.83 3.57 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.165 179.868 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 114' ' ' GLY . . . . . . . . . . . . . . . -60.18 -19.16 51.17 Favored Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.763 -0.732 . . . . 0.0 112.461 179.847 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 115' ' ' ARG . . . . . 0.452 ' O ' HG23 ' A' ' 119' ' ' VAL . 1.1 tmm_? -67.54 -57.15 7.0 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-O 120.92 0.391 . . . . 0.0 110.842 -179.802 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 116' ' ' THR . . . . . . . . . . . . . 9.0 t -72.3 -37.61 68.93 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.167 -0.469 . . . . 0.0 111.129 -179.88 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 117' ' ' LEU . . . . . . . . . . . . . 18.1 tp -62.98 -30.15 71.37 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.893 179.971 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 118' ' ' VAL . . . . . . . . . . . . . 72.8 t -97.63 -22.73 4.84 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.106 179.881 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 119' ' ' VAL . . . . . 0.452 HG23 ' O ' ' A' ' 115' ' ' ARG . 2.3 t -74.79 -58.6 4.41 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.36 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.16 179.894 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 120' ' ' HIS . . . . . 0.439 ' N ' HG12 ' A' ' 119' ' ' VAL . 0.3 OUTLIER -120.85 -32.5 3.97 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.872 179.921 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 121' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER 71.29 1.94 4.05 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.873 -179.935 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 122' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -64.47 -64.88 0.76 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.964 179.965 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 123' ' ' ALA . . . . . . . . . . . . . . . 179.87 -32.32 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.154 179.817 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 124' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -159.92 178.47 9.72 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.842 179.987 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 125' ' ' ASP . . . . . . . . . . . . . 18.6 p-10 . . . . . 0 C--N 1.329 -0.299 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.797 -179.948 . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.231 0.13 0 CA-C-O 120.823 0.345 . . . . 0.0 111.117 . . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 2' ' ' THR . . . . . 0.464 HG23 ' HG3' ' A' ' 3' ' ' LYS . 1.8 t 179.09 -32.86 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.17 -179.892 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 3' ' ' LYS . . . . . 0.464 ' HG3' HG23 ' A' ' 2' ' ' THR . 0.0 OUTLIER 179.73 31.56 0.0 OUTLIER 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.851 179.997 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -76.82 -12.86 60.03 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.267 -0.424 . . . . 0.0 111.136 179.817 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 81.3 t -117.35 -50.83 4.33 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.094 179.948 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 1.8 t -177.67 77.54 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.884 179.993 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 12.2 t 39.68 55.66 0.26 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.045 -179.98 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 8' ' ' LEU . . . . . 0.438 HD21 ' N ' ' A' ' 2' ' ' THR . 2.1 pp -65.87 -14.22 61.07 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-N 116.3 -0.409 . . . . 0.0 110.829 179.993 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -93.31 -2.03 55.35 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.894 179.763 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -142.47 52.8 0.64 Allowed Glycine 0 N--CA 1.451 -0.346 0 C-N-CA 120.791 -0.718 . . . . 0.0 112.525 -179.991 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -138.14 20.17 2.8 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-O 120.858 0.361 . . . . 0.0 110.897 -179.957 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 12' ' ' GLY . . . . . 0.542 ' N ' ' CD ' ' A' ' 13' ' ' PRO . . . 61.44 46.44 94.35 Favored Glycine 0 N--CA 1.452 -0.293 0 C-N-CA 120.757 -0.735 . . . . 0.0 112.486 -179.939 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 13' ' ' PRO . . . . . 0.542 ' CD ' ' N ' ' A' ' 12' ' ' GLY . 53.3 Cg_endo -69.86 -56.23 0.15 Allowed 'Trans proline' 0 C--O 1.231 0.167 0 C-N-CA 122.632 2.221 . . . . 0.0 112.265 -179.91 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 21.6 m -91.03 -17.58 7.73 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.342 -0.39 . . . . 0.0 111.047 -179.999 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 4.3 tp60 -97.47 -49.7 4.8 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.898 -179.969 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -66.14 -35.37 90.39 Favored Glycine 0 N--CA 1.452 -0.241 0 C-N-CA 120.729 -0.748 . . . . 0.0 112.468 -179.939 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 17' ' ' ILE . . . . . 0.404 HD12 ' O ' ' A' ' 13' ' ' PRO . 61.4 mt -82.68 -21.2 9.43 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.353 0 CA-C-O 120.863 0.363 . . . . 0.0 111.18 -179.988 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 0.3 OUTLIER -64.35 -35.49 74.34 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 116.13 -0.486 . . . . 0.0 111.164 179.791 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 2.1 m-20 -94.99 -24.11 17.08 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.957 179.93 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 0.9 OUTLIER -81.64 -35.47 29.97 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.255 -0.429 . . . . 0.0 110.857 179.973 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 2.9 tt0 -85.29 -11.83 53.81 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.097 -0.502 . . . . 0.0 110.88 -179.854 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 48.0 mt-30 -99.86 -38.3 8.69 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.945 -179.914 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 4.5 mmpt? -78.93 -37.29 40.19 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.921 179.913 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 24' ' ' GLU . . . . . 0.419 ' O ' HG21 ' A' ' 29' ' ' VAL . 2.8 tt0 -86.07 9.87 15.98 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.919 179.937 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 3.6 m -118.4 12.9 13.46 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.854 -179.749 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 26' ' ' ASN . . . . . 0.756 ' O ' HG23 ' A' ' 31' ' ' VAL . 0.3 OUTLIER -173.63 -35.52 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.946 -179.909 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . -65.26 -120.63 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.355 0 C-N-CA 120.69 -0.767 . . . . 0.0 112.545 -179.992 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 52.8 Cg_endo -69.96 45.44 0.48 Allowed 'Trans proline' 0 C--O 1.232 0.183 0 C-N-CA 122.733 2.289 . . . . 0.0 112.237 -179.886 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 29' ' ' VAL . . . . . 0.419 HG21 ' O ' ' A' ' 24' ' ' GLU . 80.0 t -142.19 -41.02 0.19 Allowed 'Isoleucine or valine' 0 C--N 1.327 -0.372 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.185 179.883 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 5.5 mttp -106.12 -31.3 8.76 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.814 179.973 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 31' ' ' VAL . . . . . 0.756 HG23 ' O ' ' A' ' 26' ' ' ASN . 56.5 t -67.39 -11.3 13.71 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-N 116.244 -0.434 . . . . 0.0 111.118 179.955 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 32' ' ' TRP . . . . . . . . . . . . . 5.0 m95 -68.72 -7.45 33.75 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.941 179.902 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 134.48 13.4 1.29 Allowed Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.637 -0.792 . . . . 0.0 112.445 179.942 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 47.3 t -80.39 -63.36 1.43 Allowed 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 120.842 0.354 . . . . 0.0 110.883 -179.781 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 14.4 pt -57.55 -16.07 4.92 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.121 179.982 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -118.97 10.09 12.09 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.945 179.847 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -148.89 -67.79 0.01 OUTLIER Glycine 0 N--CA 1.45 -0.378 0 C-N-CA 120.778 -0.725 . . . . 0.0 112.517 179.953 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -69.79 -60.31 2.39 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.867 0.365 . . . . 0.0 110.944 -179.972 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -73.46 -19.81 60.86 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.151 179.952 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 40' ' ' GLU . . . . . 0.458 ' HA ' ' HA3' ' A' ' 44' ' ' GLY . 1.5 tt0 -91.21 -16.45 27.64 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.808 -179.971 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -107.69 -26.21 5.67 Favored Glycine 0 N--CA 1.45 -0.404 0 C-N-CA 120.779 -0.724 . . . . 0.0 112.584 179.991 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 42' ' ' LEU . . . . . 0.481 ' O ' HG23 ' A' ' 47' ' ' VAL . 0.3 OUTLIER -91.93 -39.75 11.53 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-O 120.884 0.373 . . . . 0.0 110.94 -179.929 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 43' ' ' HIS . . . . . . . . . . . . . 1.4 t60 -119.54 -16.55 8.87 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.883 179.899 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 44' ' ' GLY . . . . . 0.458 ' HA3' ' HA ' ' A' ' 40' ' ' GLU . . . -100.75 18.16 55.38 Favored Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.693 -0.765 . . . . 0.0 112.473 -179.964 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . 5.1 t80 -172.62 -30.56 0.01 OUTLIER 'General case' 0 C--N 1.331 -0.228 0 CA-C-O 120.867 0.365 . . . . 0.0 110.863 -179.919 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 46' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -84.33 -52.52 6.14 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.811 179.998 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 47' ' ' VAL . . . . . 0.481 HG23 ' O ' ' A' ' 42' ' ' LEU . 92.5 t -90.65 -28.19 4.94 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.129 -179.962 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 48' ' ' HIS . . . . . . . . . . . . . 40.3 m-70 -120.61 36.49 4.56 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.886 179.899 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 2.8 tt0 -37.86 -44.79 0.79 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.916 -179.93 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 50' ' ' PHE . . . . . . . . . . . . . 0.8 OUTLIER -163.24 33.09 0.09 Allowed 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.07 -0.514 . . . . 0.0 110.857 -179.935 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 135.74 -45.14 1.11 Allowed Glycine 0 N--CA 1.453 -0.219 0 C-N-CA 120.733 -0.746 . . . . 0.0 112.483 -179.977 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 4.9 m-20 -163.49 52.63 0.16 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.895 0.378 . . . . 0.0 110.804 -179.919 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 53' ' ' ASN . . . . . . . . . . . . . 22.1 t-20 72.39 -69.23 0.19 Allowed 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.901 -179.908 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 54' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -159.25 21.58 0.19 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.114 179.998 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 55' ' ' ALA . . . . . 0.585 ' O ' ' HB2' ' A' ' 60' ' ' ALA . . . 49.42 29.98 3.11 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.152 179.855 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . -128.11 -33.25 0.59 Allowed Glycine 0 N--CA 1.451 -0.347 0 C-N-CA 120.76 -0.733 . . . . 0.0 112.533 -179.99 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 57' ' ' CYS . . . . . . . . . . . . . 26.9 m -127.46 22.96 6.41 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.922 0.392 . . . . 0.0 110.874 -179.852 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 58' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -165.8 24.57 0.05 OUTLIER 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.135 -179.799 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -171.88 -35.73 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.785 -179.817 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 60' ' ' ALA . . . . . 0.585 ' HB2' ' O ' ' A' ' 55' ' ' ALA . . . -64.34 -17.54 63.79 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.073 179.883 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . -61.4 -164.17 0.26 Allowed Glycine 0 N--CA 1.45 -0.398 0 C-N-CA 120.797 -0.716 . . . . 0.0 112.462 -179.928 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 62' ' ' PRO . . . . . . . . . . . . . 53.2 Cg_endo -69.77 -167.8 0.24 Allowed 'Trans proline' 0 C--O 1.231 0.16 0 C-N-CA 122.721 2.281 . . . . 0.0 112.293 -179.923 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 63' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER 66.01 27.83 10.61 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.833 -179.971 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 64' ' ' PHE . . . . . . . . . . . . . 5.0 m-85 -125.77 69.12 1.18 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.924 -179.931 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 65' ' ' ASN . . . . . . . . . . . . . 9.8 m-20 -101.32 159.92 28.09 Favored Pre-proline 0 C--N 1.33 -0.268 0 CA-C-O 121.61 0.719 . . . . 0.0 110.882 -179.897 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 66' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.84 48.09 0.62 Allowed 'Trans proline' 0 C--O 1.232 0.188 0 C-N-CA 122.667 2.245 . . . . 0.0 112.346 179.961 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER 179.86 27.03 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.264 -0.426 . . . . 0.0 110.978 -179.985 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 39.7 m -163.63 29.9 0.08 Allowed 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.86 -179.81 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 69' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -172.2 -36.85 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.024 -0.534 . . . . 0.0 110.792 -179.89 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -39.0 -40.37 0.65 Allowed 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.96 179.944 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 71' ' ' HIS . . . . . . . . . . . . . 36.0 m80 -38.32 -42.7 0.74 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.855 179.947 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . -124.2 -9.87 5.38 Favored Glycine 0 N--CA 1.452 -0.279 0 C-N-CA 120.799 -0.715 . . . . 0.0 112.463 -179.988 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . 60.84 165.8 0.27 Allowed Glycine 0 N--CA 1.453 -0.194 0 C-N-CA 120.639 -0.791 . . . . 0.0 112.472 -179.919 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 74' ' ' PRO . . . . . . . . . . . . . 53.0 Cg_endo -69.69 -26.66 27.69 Favored 'Trans proline' 0 C--N 1.342 0.185 0 C-N-CA 122.709 2.273 . . . . 0.0 112.324 -179.915 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 18.2 mmtt 64.91 163.35 0.14 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.977 -179.973 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 31.4 m-20 58.11 23.13 9.77 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 116.313 -0.403 . . . . 0.0 110.908 -179.983 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 12.8 pt-20 -165.0 -41.86 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.901 -179.857 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 41.5 mm-40 -103.24 -57.75 1.99 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.903 -179.992 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 79' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -81.94 -0.58 44.59 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.746 -179.774 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 80' ' ' HIS . . . . . . . . . . . . . 8.8 t60 -89.24 -25.15 21.88 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.949 179.841 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 81' ' ' VAL . . . . . 0.916 HG12 HD11 ' A' ' 84' ' ' LEU . 5.3 m -148.19 29.7 0.13 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.124 -0.489 . . . . 0.0 111.079 179.919 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 82' ' ' GLY . . . . . 0.41 ' HA2' ' CB ' ' A' ' 86' ' ' ASN . . . -55.37 -85.81 0.02 OUTLIER Glycine 0 N--CA 1.453 -0.222 0 C-N-CA 120.767 -0.73 . . . . 0.0 112.446 179.905 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 83' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -78.27 50.32 0.91 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 120.843 0.354 . . . . 0.0 110.909 -179.992 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 84' ' ' LEU . . . . . 0.916 HD11 HG12 ' A' ' 81' ' ' VAL . 4.3 pp -171.24 17.37 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.287 -0.415 . . . . 0.0 110.975 -179.923 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . 168.9 -23.41 0.1 Allowed Glycine 0 N--CA 1.451 -0.345 0 C-N-CA 120.711 -0.757 . . . . 0.0 112.507 179.911 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 86' ' ' ASN . . . . . 0.41 ' CB ' ' HA2' ' A' ' 82' ' ' GLY . 1.8 t-20 -94.68 -38.46 10.81 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 120.798 0.332 . . . . 0.0 110.902 -179.924 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 87' ' ' VAL . . . . . 0.451 ' O ' HG12 ' A' ' 87' ' ' VAL . 5.9 t -101.21 2.34 10.61 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.117 -0.492 . . . . 0.0 111.154 179.965 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 88' ' ' THR . . . . . 0.422 ' O ' ' HB3' ' A' ' 89' ' ' ALA . 9.3 m -95.26 -5.25 44.12 Favored 'General case' 0 C--O 1.232 0.181 0 CA-C-N 116.113 -0.494 . . . . 0.0 111.14 179.979 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 89' ' ' ALA . . . . . 0.422 ' HB3' ' O ' ' A' ' 88' ' ' THR . . . 67.53 40.85 2.49 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.311 -0.404 . . . . 0.0 111.106 179.861 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 90' ' ' ASP . . . . . . . . . . . . . 9.9 m-20 60.35 102.86 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.99 -179.97 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 91' ' ' LYS . . . . . 0.81 ' HA ' ' HB3' ' A' ' 95' ' ' ALA . 41.2 tptt -178.92 -33.81 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.932 -179.94 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 92' ' ' ASP . . . . . 0.408 ' OD2' HG21 ' A' ' 88' ' ' THR . 30.0 m-20 -109.36 -45.86 3.65 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.926 179.867 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 93' ' ' GLY . . . . . 0.449 ' C ' HG12 ' A' ' 97' ' ' VAL . . . -105.93 14.61 44.94 Favored Glycine 0 N--CA 1.45 -0.388 0 C-N-CA 120.695 -0.764 . . . . 0.0 112.437 -179.917 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 94' ' ' VAL . . . . . . . . . . . . . 16.8 t -141.26 -40.46 0.21 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-O 120.753 0.311 . . . . 0.0 111.219 179.998 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 95' ' ' ALA . . . . . 0.81 ' HB3' ' HA ' ' A' ' 91' ' ' LYS . . . -111.32 31.43 6.11 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.108 -0.496 . . . . 0.0 111.006 179.871 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 96' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -162.74 -34.37 0.04 OUTLIER 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.832 179.89 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 97' ' ' VAL . . . . . 0.449 HG12 ' C ' ' A' ' 93' ' ' GLY . 0.8 OUTLIER -90.93 -5.55 10.81 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.165 -0.471 . . . . 0.0 111.15 -179.97 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -124.97 -35.67 2.64 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.882 -179.87 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 99' ' ' ILE . . . . . . . . . . . . . 46.1 mm -51.86 -41.97 31.62 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.202 179.842 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 100' ' ' GLU . . . . . . . . . . . . . 1.2 mt-10 -69.57 -35.6 75.53 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.862 179.951 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 101' ' ' ASP . . . . . . . . . . . . . 6.5 t70 -77.3 -16.01 59.16 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.84 179.997 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 102' ' ' SER . . . . . 0.53 ' O ' HD23 ' A' ' 106' ' ' LEU . 0.3 OUTLIER -97.76 -41.18 8.19 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.847 -179.707 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 103' ' ' VAL . . . . . 0.424 HG13 HG13 ' A' ' 104' ' ' ILE . 7.5 p -62.47 -25.18 37.24 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-N 116.118 -0.492 . . . . 0.0 111.112 179.863 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 104' ' ' ILE . . . . . 0.424 HG13 HG13 ' A' ' 103' ' ' VAL . 82.9 mt -95.66 -33.1 4.6 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.09 179.985 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 105' ' ' SER . . . . . . . . . . . . . 20.2 m -75.97 -26.6 56.95 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.854 -179.89 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 106' ' ' LEU . . . . . 0.53 HD23 ' O ' ' A' ' 102' ' ' SER . 1.4 mm? -63.04 -44.52 95.64 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.064 -0.516 . . . . 0.0 110.852 -179.972 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 107' ' ' SER . . . . . . . . . . . . . 72.6 p -100.37 -9.64 22.03 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.822 -179.783 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 108' ' ' GLY . . . . . . . . . . . . . . . -102.51 -3.64 50.04 Favored Glycine 0 N--CA 1.451 -0.347 0 C-N-CA 120.672 -0.775 . . . . 0.0 112.495 179.964 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 109' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -133.84 13.88 3.99 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.854 0.359 . . . . 0.0 110.913 179.976 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 110' ' ' HIS . . . . . . . . . . . . . 22.2 t-80 -124.51 -17.47 6.01 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.895 179.952 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 111' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -116.32 -28.45 6.51 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.324 -0.398 . . . . 0.0 110.946 -179.982 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 112' ' ' ILE . . . . . . . . . . . . . 31.8 mm -101.09 -45.33 11.37 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.11 -0.495 . . . . 0.0 111.177 179.956 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 113' ' ' ILE . . . . . . . . . . . . . 32.7 mm -98.16 -57.79 4.24 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.361 0 CA-C-N 116.119 -0.491 . . . . 0.0 111.085 179.887 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 114' ' ' GLY . . . . . . . . . . . . . . . -60.39 -16.11 41.66 Favored Glycine 0 N--CA 1.452 -0.234 0 C-N-CA 120.828 -0.701 . . . . 0.0 112.365 179.958 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 115' ' ' ARG . . . . . . . . . . . . . 1.6 ttt180 -75.96 -30.1 58.51 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-O 121.002 0.429 . . . . 0.0 110.892 -179.812 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 116' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -102.41 -44.23 5.44 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.229 -179.952 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 117' ' ' LEU . . . . . . . . . . . . . 2.5 tt -59.2 -20.85 57.55 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.987 179.937 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 118' ' ' VAL . . . . . . . . . . . . . 84.9 t -101.87 -35.26 4.05 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.26 0 CA-C-N 116.068 -0.514 . . . . 0.0 111.113 179.789 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 119' ' ' VAL . . . . . . . . . . . . . 57.4 t -85.68 -63.65 1.21 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.022 179.991 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 120' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER -98.04 39.85 1.21 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.876 -179.976 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 121' ' ' GLU . . . . . . . . . . . . . 5.5 pt-20 -55.06 -30.15 59.0 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.86 -179.878 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 122' ' ' LYS . . . . . 0.447 ' O ' ' HB3' ' A' ' 123' ' ' ALA . 9.4 ttmt -67.2 -24.37 65.84 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.935 179.917 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 123' ' ' ALA . . . . . 0.447 ' HB3' ' O ' ' A' ' 122' ' ' LYS . . . 68.69 8.74 6.93 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.319 -0.4 . . . . 0.0 111.051 179.856 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 124' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -172.71 33.44 0.01 OUTLIER 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.849 -179.974 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 125' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER . . . . . 0 C--N 1.331 -0.222 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.844 179.94 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 1' ' ' ALA . . . . . 0.608 ' HB1' ' HD2' ' A' ' 3' ' ' LYS . . . . . . . . 0 C--O 1.232 0.161 0 CA-C-O 120.946 0.403 . . . . 0.0 111.075 . . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 14.8 t -161.23 24.78 0.13 Allowed 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.082 -179.904 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 3' ' ' LYS . . . . . 0.608 ' HD2' ' HB1' ' A' ' 1' ' ' ALA . 0.0 OUTLIER -90.4 -45.08 9.23 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.884 179.93 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -63.22 -14.37 48.37 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.052 179.88 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 2.7 t -86.27 -48.2 15.96 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.384 0 CA-C-N 116.26 -0.427 . . . . 0.0 111.106 179.962 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 6' ' ' CYS . . . . . 0.554 ' O ' HG23 ' A' ' 7' ' ' VAL . 6.1 p -177.03 74.93 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.867 -179.918 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 7' ' ' VAL . . . . . 0.554 HG23 ' O ' ' A' ' 6' ' ' CYS . 1.0 OUTLIER -177.95 -34.78 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.257 0 CA-C-N 116.136 -0.484 . . . . 0.0 111.137 -179.921 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 17.1 tp -59.98 -20.98 60.59 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.894 179.936 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 9' ' ' LYS . . . . . 0.737 ' O ' HG11 ' A' ' 14' ' ' VAL . 6.2 mttp -93.98 -1.57 54.4 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.849 179.884 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -139.65 47.14 0.91 Allowed Glycine 0 N--CA 1.451 -0.345 0 C-N-CA 120.648 -0.786 . . . . 0.0 112.419 179.957 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 11' ' ' ASP . . . . . 0.591 ' C ' ' HD2' ' A' ' 13' ' ' PRO . 0.4 OUTLIER -110.99 -18.57 13.03 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.919 0.39 . . . . 0.0 110.884 -179.941 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 12' ' ' GLY . . . . . 0.694 ' N ' ' HD2' ' A' ' 13' ' ' PRO . . . 125.94 -46.97 1.05 Allowed Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.701 -0.762 . . . . 0.0 112.557 -179.947 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 13' ' ' PRO . . . . . 0.694 ' HD2' ' N ' ' A' ' 12' ' ' GLY . 53.2 Cg_endo -69.86 -7.92 22.3 Favored 'Trans proline' 0 C--N 1.343 0.285 0 C-N-CA 122.605 2.203 . . . . 0.0 112.341 -179.921 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 14' ' ' VAL . . . . . 0.737 HG11 ' O ' ' A' ' 9' ' ' LYS . 12.3 p -75.78 -14.9 15.35 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.245 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.15 179.911 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 1.4 tp60 -97.18 -36.83 10.33 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.932 -179.937 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -83.71 -28.77 34.23 Favored Glycine 0 C--N 1.333 0.371 0 C-N-CA 120.662 -0.78 . . . . 0.0 112.467 -179.963 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 87.0 mt -84.72 -30.58 7.0 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.349 0 CA-C-O 120.799 0.333 . . . . 0.0 111.093 -179.969 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 1.0 OUTLIER -64.05 -33.93 65.39 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.15 179.921 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 2.6 m-20 -93.52 -23.21 18.43 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.834 179.982 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 3.1 m-85 -82.91 -34.89 26.51 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.885 -179.942 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 3.6 tt0 -85.29 -12.58 52.03 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.117 -0.492 . . . . 0.0 111.022 179.958 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 64.0 mt-30 -98.9 -40.25 8.18 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.88 -179.894 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 9.5 mmpt? -70.7 -38.33 73.65 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.251 -0.432 . . . . 0.0 110.948 179.913 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 1.3 tt0 -86.61 7.06 27.94 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.101 -0.499 . . . . 0.0 110.941 179.977 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 3.8 m -117.43 14.51 14.65 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.072 -0.513 . . . . 0.0 110.944 -179.836 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 1.1 m-80 -172.95 -38.34 0.01 OUTLIER 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.82 -179.985 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 27' ' ' GLY . . . . . 0.425 ' O ' HG12 ' A' ' 31' ' ' VAL . . . -66.11 -122.56 0.01 OUTLIER Glycine 0 C--N 1.331 0.276 0 C-N-CA 120.783 -0.722 . . . . 0.0 112.382 -179.936 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 52.8 Cg_endo -69.73 51.07 0.86 Allowed 'Trans proline' 0 C--O 1.231 0.162 0 C-N-CA 122.712 2.275 . . . . 0.0 112.279 -179.842 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 75.4 t -148.56 -45.28 0.09 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.02 179.913 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 5.6 mttt -107.47 -30.12 8.84 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.799 -179.97 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 31' ' ' VAL . . . . . 0.425 HG12 ' O ' ' A' ' 27' ' ' GLY . 8.4 p -54.49 -17.88 2.4 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-N 116.28 -0.418 . . . . 0.0 110.98 179.982 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 32' ' ' TRP . . . . . . . . . . . . . 59.0 t-105 -53.06 -56.43 16.21 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.933 -179.981 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -157.67 18.66 0.36 Allowed Glycine 0 N--CA 1.452 -0.269 0 C-N-CA 120.711 -0.757 . . . . 0.0 112.459 179.974 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 28.9 t -82.63 -61.6 1.84 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.838 0.352 . . . . 0.0 110.825 -179.7 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 35' ' ' ILE . . . . . 0.405 ' O ' ' HB2' ' A' ' 40' ' ' GLU . 1.1 mt -57.6 -15.53 4.22 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.175 179.939 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -120.47 12.41 11.59 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.928 179.83 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -150.44 -62.51 0.01 OUTLIER Glycine 0 N--CA 1.452 -0.254 0 C-N-CA 120.774 -0.727 . . . . 0.0 112.524 179.959 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 38' ' ' LEU . . . . . 0.781 HD23 HD11 ' A' ' 42' ' ' LEU . 10.2 mt -74.01 -56.72 4.6 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-O 120.807 0.337 . . . . 0.0 110.851 -179.848 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -79.49 -17.99 52.97 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.144 179.963 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 40' ' ' GLU . . . . . 0.405 ' HB2' ' O ' ' A' ' 35' ' ' ILE . 5.0 tp10 -94.34 -28.14 15.71 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.002 179.923 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 41' ' ' GLY . . . . . 0.407 ' HA2' ' HB3' ' A' ' 45' ' ' PHE . . . -100.25 -40.92 2.91 Favored Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.657 -0.782 . . . . 0.0 112.438 -179.972 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 42' ' ' LEU . . . . . 0.781 HD11 HD23 ' A' ' 38' ' ' LEU . 3.4 mt -91.24 -25.48 19.48 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-O 120.859 0.361 . . . . 0.0 110.951 -179.968 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 43' ' ' HIS . . . . . . . . . . . . . 0.7 OUTLIER -121.91 -5.48 9.06 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.874 179.961 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 44' ' ' GLY . . . . . 0.4 ' HA3' ' HA ' ' A' ' 40' ' ' GLU . . . -113.67 -23.71 4.94 Favored Glycine 0 N--CA 1.452 -0.296 0 C-N-CA 120.714 -0.755 . . . . 0.0 112.395 -179.834 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 45' ' ' PHE . . . . . 0.407 ' HB3' ' HA2' ' A' ' 41' ' ' GLY . 9.4 t80 -122.21 -20.66 6.13 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.926 0.393 . . . . 0.0 110.933 -179.932 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 46' ' ' HIS . . . . . . . . . . . . . 3.3 t-80 -99.32 -39.64 8.31 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.857 -179.97 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 47' ' ' VAL . . . . . 0.687 HG23 ' O ' ' A' ' 42' ' ' LEU . 78.6 t -97.61 -34.08 4.62 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.362 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.173 179.894 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 48' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER -103.38 -28.65 11.7 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.322 -0.399 . . . . 0.0 110.798 179.922 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 49' ' ' GLU . . . . . 0.462 ' HG2' ' HB2' ' A' ' 55' ' ' ALA . 1.3 tp10 54.05 30.7 12.34 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.796 -179.926 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 50' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER 63.61 15.23 8.74 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.923 -179.934 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 130.02 -34.64 2.69 Favored Glycine 0 N--CA 1.452 -0.269 0 C-N-CA 120.645 -0.788 . . . . 0.0 112.476 -179.983 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 1.7 m-20 -66.53 -20.55 66.05 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-O 120.845 0.355 . . . . 0.0 110.892 179.945 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 53' ' ' ASN . . . . . . . . . . . . . 3.1 m120 75.06 -57.07 0.61 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.895 -179.942 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 54' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -139.67 9.85 2.43 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.196 179.925 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 55' ' ' ALA . . . . . 0.462 ' HB2' ' HG2' ' A' ' 49' ' ' GLU . . . 52.89 23.62 2.93 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.2 -0.454 . . . . 0.0 111.068 179.798 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . -128.52 -30.01 0.74 Allowed Glycine 0 N--CA 1.45 -0.399 0 C-N-CA 120.738 -0.744 . . . . 0.0 112.627 179.937 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 57' ' ' CYS . . . . . . . . . . . . . 1.2 m -108.43 8.83 27.65 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.915 0.388 . . . . 0.0 110.873 -179.951 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 58' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -159.29 19.82 0.18 Allowed 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.104 -0.498 . . . . 0.0 111.055 -179.935 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -158.6 -38.23 0.06 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.804 -179.793 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 60' ' ' ALA . . . . . 0.407 ' HB3' ' O ' ' A' ' 55' ' ' ALA . . . -130.68 40.84 3.45 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.068 -0.515 . . . . 0.0 111.23 179.894 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . -82.02 -167.68 40.0 Favored Glycine 0 N--CA 1.45 -0.368 0 C-N-CA 120.671 -0.776 . . . . 0.0 112.493 -179.899 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 62' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.82 78.95 0.99 Allowed 'Trans proline' 0 C--N 1.342 0.194 0 C-N-CA 122.705 2.27 . . . . 0.0 112.251 -179.91 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 63' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -149.51 -170.52 3.66 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.779 -179.953 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 64' ' ' PHE . . . . . . . . . . . . . 52.4 m-85 -54.99 101.89 0.06 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.942 -179.984 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 65' ' ' ASN . . . . . . . . . . . . . 39.5 m-80 -160.1 159.04 26.92 Favored Pre-proline 0 C--N 1.327 -0.377 0 CA-C-O 121.675 0.75 . . . . 0.0 110.959 -179.993 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 66' ' ' PRO . . . . . . . . . . . . . 55.1 Cg_endo -69.68 49.31 0.69 Allowed 'Trans proline' 0 C--O 1.231 0.15 0 C-N-CA 122.679 2.253 . . . . 0.0 112.342 179.919 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER 178.77 26.4 0.0 OUTLIER 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.876 179.895 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 1.1 t -168.88 27.19 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.863 -179.882 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 69' ' ' ARG . . . . . . . . . . . . . 3.8 ppt_? -148.55 14.98 0.98 Allowed 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.959 -179.875 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -122.05 -78.35 0.6 Allowed 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.862 179.986 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 71' ' ' HIS . . . . . . . . . . . . . 2.0 m80 -79.02 -13.88 59.52 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.24 -0.437 . . . . 0.0 110.866 179.927 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . -125.53 -9.56 4.88 Favored Glycine 0 N--CA 1.452 -0.29 0 C-N-CA 120.748 -0.739 . . . . 0.0 112.511 -179.967 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . -49.25 -71.01 0.66 Allowed Glycine 0 N--CA 1.45 -0.387 0 C-N-CA 120.75 -0.738 . . . . 0.0 112.429 -179.857 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 74' ' ' PRO . . . . . . . . . . . . . 54.8 Cg_endo -69.7 -171.46 0.47 Allowed 'Trans proline' 0 C--O 1.231 0.141 0 C-N-CA 122.782 2.321 . . . . 0.0 112.296 -179.951 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 66.12 149.91 0.05 OUTLIER 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.943 179.936 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 75.9 m-20 55.06 33.62 20.74 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.841 179.854 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 12.0 pt-20 -173.16 -40.41 0.01 OUTLIER 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.928 -179.904 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 78' ' ' GLU . . . . . 0.77 ' HG2' HD23 ' A' ' 84' ' ' LEU . 19.1 mt-10 -102.46 -57.35 2.07 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.896 -179.922 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 79' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -87.11 4.39 42.42 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.903 179.985 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 80' ' ' HIS . . . . . . . . . . . . . 6.7 t60 -95.21 -18.19 21.1 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.836 179.968 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 81' ' ' VAL . . . . . . . . . . . . . 23.0 t -139.63 -33.26 0.26 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.3 -0.409 . . . . 0.0 111.208 179.9 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 82' ' ' GLY . . . . . 0.441 ' HA2' ' HB2' ' A' ' 86' ' ' ASN . . . 92.06 -23.44 26.65 Favored Glycine 0 N--CA 1.451 -0.345 0 C-N-CA 120.749 -0.739 . . . . 0.0 112.531 179.996 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 83' ' ' ASP . . . . . 0.642 ' HA ' HG12 ' A' ' 87' ' ' VAL . 4.4 m-20 -81.81 37.18 0.47 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.801 0.334 . . . . 0.0 110.856 -179.936 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 84' ' ' LEU . . . . . 0.77 HD23 ' HG2' ' A' ' 78' ' ' GLU . 4.9 tp -165.01 30.48 0.06 Allowed 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.947 -179.947 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . 156.34 -9.16 0.27 Allowed Glycine 0 N--CA 1.452 -0.298 0 C-N-CA 120.78 -0.724 . . . . 0.0 112.488 179.979 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 86' ' ' ASN . . . . . 0.441 ' HB2' ' HA2' ' A' ' 82' ' ' GLY . 3.5 t-20 -111.65 -34.72 5.97 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-O 120.815 0.34 . . . . 0.0 110.92 -179.905 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 87' ' ' VAL . . . . . 0.642 HG12 ' HA ' ' A' ' 83' ' ' ASP . 1.7 p -109.96 14.87 8.33 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.105 -0.498 . . . . 0.0 111.146 179.928 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 88' ' ' THR . . . . . 0.404 ' HA ' ' H ' ' A' ' 92' ' ' ASP . 0.0 OUTLIER -139.8 -45.28 0.44 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.202 -179.975 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -48.98 -31.81 8.09 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.13 179.817 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 90' ' ' ASP . . . . . . . . . . . . . 2.7 m-20 -125.84 24.05 7.15 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.747 -179.898 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 91' ' ' LYS . . . . . 0.51 ' HA ' ' HB3' ' A' ' 95' ' ' ALA . 4.1 tptt -138.25 -55.14 0.64 Allowed 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.889 -179.954 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 92' ' ' ASP . . . . . 0.542 ' O ' HG23 ' A' ' 97' ' ' VAL . 21.3 m-20 -78.23 -52.14 9.12 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.873 179.894 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . -93.26 20.69 44.68 Favored Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.655 -0.783 . . . . 0.0 112.578 -179.962 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 94' ' ' VAL . . . . . 0.492 HG13 ' OG ' ' A' ' 102' ' ' SER . 45.6 t -146.97 -37.84 0.11 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.245 0 CA-C-O 120.81 0.338 . . . . 0.0 111.182 -179.989 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 95' ' ' ALA . . . . . 0.51 ' HB3' ' HA ' ' A' ' 91' ' ' LYS . . . -116.76 28.42 8.55 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.076 179.869 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 96' ' ' ASP . . . . . 0.582 ' HA ' HD11 ' A' ' 99' ' ' ILE . 0.4 OUTLIER -158.8 -34.74 0.06 Allowed 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.815 -179.969 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 97' ' ' VAL . . . . . 0.556 ' O ' HG12 ' A' ' 97' ' ' VAL . 11.3 t -127.3 15.48 3.45 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.367 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.119 -179.999 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -164.68 25.46 0.06 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.767 -179.856 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 99' ' ' ILE . . . . . 0.582 HD11 ' HA ' ' A' ' 96' ' ' ASP . 2.1 mp -57.19 -40.59 74.51 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.346 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.17 179.931 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 100' ' ' GLU . . . . . . . . . . . . . 1.8 mp0 -71.07 -39.42 72.2 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.081 -0.509 . . . . 0.0 110.875 179.926 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 101' ' ' ASP . . . . . . . . . . . . . 11.3 t70 -73.78 -16.34 61.16 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.928 179.955 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 102' ' ' SER . . . . . 0.492 ' OG ' HG13 ' A' ' 94' ' ' VAL . 0.3 OUTLIER -97.64 -41.81 7.95 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.837 -179.765 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 103' ' ' VAL . . . . . 0.418 HG13 HG13 ' A' ' 104' ' ' ILE . 7.3 p -63.83 -23.97 34.65 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.222 179.868 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 104' ' ' ILE . . . . . 0.418 HG13 HG13 ' A' ' 103' ' ' VAL . 66.1 mt -95.67 -30.93 4.05 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-N 116.051 -0.522 . . . . 0.0 111.112 179.962 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 105' ' ' SER . . . . . . . . . . . . . 79.3 p -78.83 -28.85 44.42 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.853 -179.946 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 106' ' ' LEU . . . . . . . . . . . . . 12.0 tp -64.0 -43.61 95.12 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.865 -179.967 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 107' ' ' SER . . . . . . . . . . . . . 60.3 p -100.15 -9.61 22.34 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.868 -179.905 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 108' ' ' GLY . . . . . 0.568 ' O ' HD12 ' A' ' 113' ' ' ILE . . . -103.85 -2.59 46.03 Favored Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 120.778 -0.725 . . . . 0.0 112.467 -179.9 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 109' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -135.6 13.11 3.46 Favored 'General case' 0 C--N 1.331 -0.209 0 CA-C-O 120.855 0.359 . . . . 0.0 110.769 -179.824 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 110' ' ' HIS . . . . . . . . . . . . . 9.3 t60 -131.55 -8.94 3.65 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.852 -179.945 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 111' ' ' CYS . . . . . . . . . . . . . 78.1 m -116.22 -33.19 5.08 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.866 -179.938 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 112' ' ' ILE . . . . . 0.42 HG23 ' N ' ' A' ' 113' ' ' ILE . 6.6 tt -103.54 -41.44 7.25 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.24 -0.437 . . . . 0.0 111.022 -179.88 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 113' ' ' ILE . . . . . 0.568 HD12 ' O ' ' A' ' 108' ' ' GLY . 4.7 mt -99.35 -59.6 3.19 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.224 -0.443 . . . . 0.0 111.062 179.938 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 114' ' ' GLY . . . . . . . . . . . . . . . -60.67 -24.4 62.09 Favored Glycine 0 N--CA 1.451 -0.334 0 C-N-CA 120.803 -0.713 . . . . 0.0 112.472 179.971 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 115' ' ' ARG . . . . . . . . . . . . . 3.4 tmt_? -74.59 -13.32 60.64 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.844 0.354 . . . . 0.0 110.778 -179.797 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 116' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -102.96 -33.25 9.37 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.317 -0.401 . . . . 0.0 111.104 -179.899 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 117' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -88.64 -29.02 20.26 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.3 -0.409 . . . . 0.0 110.846 -179.989 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 118' ' ' VAL . . . . . . . . . . . . . 9.3 t -102.83 -64.43 1.56 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.101 -0.5 . . . . 0.0 111.156 179.845 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 119' ' ' VAL . . . . . . . . . . . . . 2.3 t -64.45 -31.06 51.99 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.255 0 CA-C-N 116.116 -0.493 . . . . 0.0 111.101 179.995 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 120' ' ' HIS . . . . . . . . . . . . . 0.5 OUTLIER -120.31 38.0 4.1 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.765 179.941 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 121' ' ' GLU . . . . . . . . . . . . . 45.3 tt0 -62.89 -16.65 59.69 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.924 -179.991 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 122' ' ' LYS . . . . . . . . . . . . . 28.5 tttt -138.21 -62.16 0.59 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.867 179.881 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 123' ' ' ALA . . . . . . . . . . . . . . . 179.06 109.61 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.273 -0.421 . . . . 0.0 111.149 179.963 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 124' ' ' ASP . . . . . . . . . . . . . 5.9 t0 51.64 30.17 6.37 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.925 -179.954 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 125' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER . . . . . 0 C--N 1.329 -0.299 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.85 -180.0 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 1' ' ' ALA . . . . . 0.493 ' O ' HG23 ' A' ' 2' ' ' THR . . . . . . . . 0 N--CA 1.457 -0.124 0 CA-C-O 120.788 0.328 . . . . 0.0 111.171 . . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 2' ' ' THR . . . . . 0.493 HG23 ' O ' ' A' ' 1' ' ' ALA . 0.0 OUTLIER -179.79 -32.91 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.271 -0.422 . . . . 0.0 111.146 -179.94 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 1.1 pptp? -179.92 31.97 0.0 OUTLIER 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.28 -0.418 . . . . 0.0 111.027 179.863 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -90.41 -34.54 15.6 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.009 179.899 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 9.0 t -124.51 -35.61 1.04 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.239 0 CA-C-N 116.22 -0.446 . . . . 0.0 111.134 -179.926 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 79.9 m -65.71 -118.85 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.948 179.992 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 7.5 t -80.55 50.33 0.07 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.158 -179.957 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 5.1 tt -61.49 -19.28 61.87 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.104 -0.498 . . . . 0.0 111.001 179.917 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -93.69 -1.8 54.72 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.943 179.85 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -139.04 50.15 0.8 Allowed Glycine 0 N--CA 1.452 -0.279 0 C-N-CA 120.773 -0.727 . . . . 0.0 112.448 179.951 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -138.2 21.76 2.79 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.815 0.34 . . . . 0.0 110.872 179.951 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 12' ' ' GLY . . . . . 0.528 ' N ' ' CD ' ' A' ' 13' ' ' PRO . . . 62.37 47.28 90.68 Favored Glycine 0 N--CA 1.453 -0.219 0 C-N-CA 120.744 -0.741 . . . . 0.0 112.398 179.999 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 13' ' ' PRO . . . . . 0.528 ' CD ' ' N ' ' A' ' 12' ' ' GLY . 54.3 Cg_endo -69.79 -56.19 0.15 Allowed 'Trans proline' 0 C--N 1.342 0.186 0 C-N-CA 122.671 2.247 . . . . 0.0 112.346 -179.993 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 31.4 m -91.04 -17.36 7.8 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.258 -0.428 . . . . 0.0 111.11 179.947 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 37.0 tp60 -97.72 -49.59 4.78 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.913 179.999 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -66.14 -35.08 89.99 Favored Glycine 0 N--CA 1.449 -0.454 0 C-N-CA 120.748 -0.739 . . . . 0.0 112.505 -179.944 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 61.1 mt -82.85 -21.42 9.19 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.256 0 CA-C-O 120.824 0.345 . . . . 0.0 111.119 -179.941 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 0.3 OUTLIER -64.66 -35.13 73.99 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.253 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.213 179.767 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 5.5 m-20 -94.73 -23.7 17.44 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.873 179.919 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 0.9 OUTLIER -82.88 -33.38 26.97 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.83 -179.921 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 2.0 tt0 -83.49 -14.03 53.3 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.837 -179.887 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -100.37 -33.41 10.39 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.898 -179.974 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 76.4 mttt -84.0 -37.76 21.79 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.288 -0.415 . . . . 0.0 110.934 179.91 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 24' ' ' GLU . . . . . 0.426 ' O ' HG21 ' A' ' 29' ' ' VAL . 4.5 tt0 -85.95 9.98 15.35 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.822 -179.964 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 3.9 m -118.28 13.17 13.63 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.783 -179.747 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 26' ' ' ASN . . . . . 0.744 ' O ' HG23 ' A' ' 31' ' ' VAL . 0.6 OUTLIER -173.57 -35.86 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.828 -179.926 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . -65.32 -120.12 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 120.667 -0.778 . . . . 0.0 112.513 -179.956 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 53.2 Cg_endo -69.91 46.19 0.51 Allowed 'Trans proline' 0 C--N 1.342 0.207 0 C-N-CA 122.614 2.209 . . . . 0.0 112.335 -179.887 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 29' ' ' VAL . . . . . 0.426 HG21 ' O ' ' A' ' 24' ' ' GLU . 75.2 t -143.32 -41.8 0.17 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.027 179.91 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 7.9 mttp -105.72 -33.06 8.15 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.264 -0.425 . . . . 0.0 110.856 179.925 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 31' ' ' VAL . . . . . 0.744 HG23 ' O ' ' A' ' 26' ' ' ASN . 65.0 t -60.99 -15.8 12.82 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.29 -0.414 . . . . 0.0 111.147 179.896 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 32' ' ' TRP . . . . . . . . . . . . . 0.0 OUTLIER -64.94 -57.8 7.8 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.055 179.958 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -158.74 15.76 0.25 Allowed Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.707 -0.759 . . . . 0.0 112.468 179.843 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 34' ' ' SER . . . . . 0.404 ' HA ' ' H ' ' A' ' 38' ' ' LEU . 23.3 t -82.56 -63.38 1.38 Allowed 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 120.791 0.329 . . . . 0.0 110.82 -179.747 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 35' ' ' ILE . . . . . 0.445 ' O ' ' HB2' ' A' ' 40' ' ' GLU . 15.3 pt -57.26 -14.87 2.81 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 116.101 -0.5 . . . . 0.0 111.123 179.936 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -121.17 10.91 10.77 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.916 179.888 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -148.39 -63.49 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.717 -0.754 . . . . 0.0 112.509 179.874 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 38' ' ' LEU . . . . . 0.46 HD22 HD11 ' A' ' 42' ' ' LEU . 75.8 mt -74.46 -56.41 4.88 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.953 0.406 . . . . 0.0 110.904 -179.895 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -77.56 -18.0 57.34 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.132 -0.485 . . . . 0.0 111.213 179.809 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 40' ' ' GLU . . . . . 0.445 ' HB2' ' O ' ' A' ' 35' ' ' ILE . 0.3 OUTLIER -94.82 -25.69 16.52 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.288 -0.415 . . . . 0.0 110.867 -179.986 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -101.6 -40.12 2.81 Favored Glycine 0 N--CA 1.45 -0.396 0 C-N-CA 120.789 -0.72 . . . . 0.0 112.499 -179.917 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 42' ' ' LEU . . . . . 0.582 ' O ' HG23 ' A' ' 47' ' ' VAL . 5.3 mt -90.53 -27.02 19.45 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-O 120.749 0.309 . . . . 0.0 110.89 -179.991 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 43' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -120.21 -11.34 9.22 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.799 179.898 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 44' ' ' GLY . . . . . 0.406 ' HA3' ' HA ' ' A' ' 40' ' ' GLU . . . -106.2 -24.06 7.03 Favored Glycine 0 N--CA 1.451 -0.354 0 C-N-CA 120.77 -0.728 . . . . 0.0 112.518 -179.936 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . 18.7 t80 -122.64 -15.2 7.58 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.944 0.402 . . . . 0.0 110.897 -179.894 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 46' ' ' HIS . . . . . . . . . . . . . 0.6 OUTLIER -103.13 -50.79 3.4 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.862 179.95 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 47' ' ' VAL . . . . . 0.582 HG23 ' O ' ' A' ' 42' ' ' LEU . 89.7 t -83.9 -61.75 1.67 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.17 179.993 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 48' ' ' HIS . . . . . . . . . . . . . 16.8 m80 -73.76 -55.41 6.27 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.872 179.92 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER 71.64 -70.81 0.15 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.823 -179.946 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 50' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -112.45 -12.97 13.44 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.275 -0.42 . . . . 0.0 110.85 -179.868 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . -55.29 -68.66 1.57 Allowed Glycine 0 N--CA 1.451 -0.3 0 C-N-CA 120.764 -0.732 . . . . 0.0 112.353 -179.902 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -118.56 -13.36 9.68 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-O 120.714 0.292 . . . . 0.0 110.907 -179.934 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 53' ' ' ASN . . . . . . . . . . . . . 4.3 t-20 73.88 -61.3 0.5 Allowed 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.803 -179.967 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 54' ' ' THR . . . . . 0.528 HG23 ' H ' ' A' ' 56' ' ' GLY . 3.5 t -131.29 -1.17 4.01 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.129 -179.926 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . 60.72 16.22 6.5 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.281 -0.418 . . . . 0.0 111.009 179.838 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 56' ' ' GLY . . . . . 0.528 ' H ' HG23 ' A' ' 54' ' ' THR . . . -127.82 -31.82 0.68 Allowed Glycine 0 N--CA 1.45 -0.382 0 C-N-CA 120.717 -0.754 . . . . 0.0 112.562 179.909 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 57' ' ' CYS . . . . . . . . . . . . . 50.3 m -113.97 16.77 18.21 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-O 120.948 0.404 . . . . 0.0 110.935 -179.952 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 58' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -158.77 13.87 0.17 Allowed 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.101 -0.5 . . . . 0.0 111.16 -179.832 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -131.4 -37.1 1.24 Allowed 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.943 -179.869 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -174.84 55.59 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.039 -0.528 . . . . 0.0 111.14 179.878 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . -105.64 165.31 14.0 Favored Glycine 0 N--CA 1.452 -0.268 0 C-N-CA 120.77 -0.729 . . . . 0.0 112.497 -179.924 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 62' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.84 -48.09 0.77 Allowed 'Trans proline' 0 C--O 1.231 0.172 0 C-N-CA 122.681 2.254 . . . . 0.0 112.226 -179.848 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 63' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -179.29 119.3 0.07 Allowed 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.79 -179.981 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 64' ' ' PHE . . . . . . . . . . . . . 15.6 p90 -112.35 0.04 15.54 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.891 -179.91 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 65' ' ' ASN . . . . . . . . . . . . . 5.8 m-80 -164.18 80.73 1.4 Allowed Pre-proline 0 C--N 1.329 -0.303 0 CA-C-O 121.588 0.709 . . . . 0.0 110.926 -179.931 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 66' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.78 64.7 1.82 Allowed 'Trans proline' 0 C--O 1.233 0.244 0 C-N-CA 122.548 2.166 . . . . 0.0 112.343 179.973 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 67' ' ' LEU . . . . . 0.664 HD12 ' N ' ' A' ' 68' ' ' SER . 2.6 pp 177.82 -30.1 0.0 OUTLIER 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.915 -179.994 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 68' ' ' SER . . . . . 0.664 ' N ' HD12 ' A' ' 67' ' ' LEU . 60.2 p -69.34 -6.55 30.46 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.89 -179.94 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 69' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -158.17 -77.86 0.07 Allowed 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.847 -179.86 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 10.9 mmtt 55.57 -90.05 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.275 -0.42 . . . . 0.0 110.845 179.919 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 71' ' ' HIS . . . . . . . . . . . . . 15.1 m80 -51.03 -40.05 57.32 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.765 179.895 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . -145.93 125.96 2.41 Favored Glycine 0 N--CA 1.45 -0.386 0 C-N-CA 120.731 -0.747 . . . . 0.0 112.559 -179.981 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . -64.55 -164.49 0.86 Allowed Glycine 0 N--CA 1.452 -0.292 0 C-N-CA 120.78 -0.724 . . . . 0.0 112.412 -179.778 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 74' ' ' PRO . . . . . . . . . . . . . 54.9 Cg_endo -69.71 -170.66 0.4 Allowed 'Trans proline' 0 C--N 1.342 0.193 0 C-N-CA 122.765 2.31 . . . . 0.0 112.391 -179.982 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 179.44 156.03 0.54 Allowed 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.967 179.905 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 1.9 t0 64.22 27.39 13.92 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.935 179.934 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 5.8 pt-20 -177.98 -48.53 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.881 -179.9 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -103.99 -57.78 1.98 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.103 -0.498 . . . . 0.0 110.872 -179.87 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 79' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -79.1 -2.6 41.37 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.881 -179.91 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 80' ' ' HIS . . . . . . . . . . . . . 0.6 OUTLIER -84.16 -24.38 30.2 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.844 -179.995 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 81' ' ' VAL . . . . . . . . . . . . . 4.1 m -154.37 29.78 0.06 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.249 0 CA-C-N 116.28 -0.418 . . . . 0.0 111.2 179.971 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . -64.36 -12.7 52.12 Favored Glycine 0 N--CA 1.452 -0.297 0 C-N-CA 120.764 -0.731 . . . . 0.0 112.462 -179.89 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 83' ' ' ASP . . . . . . . . . . . . . 2.9 m-20 73.04 34.18 1.1 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.906 0.384 . . . . 0.0 110.875 179.968 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 84' ' ' LEU . . . . . 0.422 HD12 ' H ' ' A' ' 85' ' ' GLY . 0.1 OUTLIER -152.01 -76.56 0.13 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.94 -179.951 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 85' ' ' GLY . . . . . 0.422 ' H ' HD12 ' A' ' 84' ' ' LEU . . . -68.32 -39.05 87.91 Favored Glycine 0 N--CA 1.451 -0.352 0 C-N-CA 120.712 -0.756 . . . . 0.0 112.481 179.946 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 86' ' ' ASN . . . . . . . . . . . . . 2.1 t-20 -65.0 -33.93 77.22 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-O 120.825 0.345 . . . . 0.0 110.814 -179.867 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 87' ' ' VAL . . . . . 0.427 HG22 ' O ' ' A' ' 87' ' ' VAL . 8.9 p -99.38 -0.93 10.14 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 CA-C-N 116.272 -0.422 . . . . 0.0 111.213 179.878 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 88' ' ' THR . . . . . 0.507 ' O ' ' HB2' ' A' ' 89' ' ' ALA . 1.3 m -66.67 -39.34 88.12 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.081 -0.509 . . . . 0.0 111.196 180.0 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 89' ' ' ALA . . . . . 0.507 ' HB2' ' O ' ' A' ' 88' ' ' THR . . . 173.01 -28.31 0.0 OUTLIER 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.127 -0.488 . . . . 0.0 111.094 179.977 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 90' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -178.4 -34.86 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.946 -179.978 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 91' ' ' LYS . . . . . 0.421 ' O ' ' CB ' ' A' ' 92' ' ' ASP . 24.6 tptp -151.05 -40.35 0.12 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.945 179.91 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 92' ' ' ASP . . . . . 0.489 ' C ' HG21 ' A' ' 88' ' ' THR . 0.3 OUTLIER 165.94 33.44 0.0 OUTLIER 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.892 179.888 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 93' ' ' GLY . . . . . 0.416 ' N ' HG21 ' A' ' 88' ' ' THR . . . 62.89 27.0 69.5 Favored Glycine 0 N--CA 1.45 -0.374 0 C-N-CA 120.845 -0.693 . . . . 0.0 112.382 -179.942 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 94' ' ' VAL . . . . . . . . . . . . . 78.6 t -131.92 -37.94 0.55 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-O 120.855 0.359 . . . . 0.0 111.139 -179.972 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . -101.61 33.94 2.79 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.061 179.912 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 96' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -177.68 -29.46 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.283 -0.417 . . . . 0.0 110.808 -179.992 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 97' ' ' VAL . . . . . 0.489 ' O ' HG12 ' A' ' 97' ' ' VAL . 4.9 t -114.23 19.18 7.26 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.265 -0.425 . . . . 0.0 111.059 -179.92 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 7.1 t -142.72 -41.89 0.32 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.75 -179.825 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 99' ' ' ILE . . . . . . . . . . . . . 48.2 mt -51.99 -42.77 34.99 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.365 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.179 179.876 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 100' ' ' GLU . . . . . 0.412 ' HA ' HG12 ' A' ' 103' ' ' VAL . 7.6 mt-10 -68.47 -35.97 78.3 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.884 -179.984 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 101' ' ' ASP . . . . . . . . . . . . . 6.5 t70 -76.96 -16.53 59.32 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.878 179.908 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 102' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -97.54 -36.31 10.35 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.298 -0.41 . . . . 0.0 110.953 -179.818 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 103' ' ' VAL . . . . . 0.412 HG12 ' HA ' ' A' ' 100' ' ' GLU . 8.6 p -69.86 -24.43 26.67 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.26 0 CA-C-N 116.029 -0.532 . . . . 0.0 111.196 179.963 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 104' ' ' ILE . . . . . . . . . . . . . 46.8 mm -95.54 -26.06 4.35 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.084 -0.507 . . . . 0.0 111.146 179.906 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 105' ' ' SER . . . . . . . . . . . . . 62.1 p -87.03 -23.13 25.08 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.839 -179.903 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 106' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -85.82 -37.76 18.88 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.123 -0.49 . . . . 0.0 111.0 -179.94 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 107' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -98.28 -37.1 9.79 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 116.05 -0.523 . . . . 0.0 110.893 -179.97 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 108' ' ' GLY . . . . . . . . . . . . . . . -78.22 0.37 74.32 Favored Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.656 -0.783 . . . . 0.0 112.499 179.984 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 109' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -133.96 18.62 3.8 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.912 0.387 . . . . 0.0 110.95 179.995 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 110' ' ' HIS . . . . . . . . . . . . . 15.5 t60 -119.57 -39.5 2.87 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.84 -179.941 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 111' ' ' CYS . . . . . 0.551 ' O ' ' N ' ' A' ' 115' ' ' ARG . 1.6 p -118.27 -51.46 2.42 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.886 -179.87 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 112' ' ' ILE . . . . . . . . . . . . . 51.2 mm -46.96 -25.7 0.67 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.107 -0.497 . . . . 0.0 111.108 -179.946 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 113' ' ' ILE . . . . . . . . . . . . . 61.5 mt -100.94 -49.25 11.13 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.115 179.919 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 114' ' ' GLY . . . . . . . . . . . . . . . -82.1 -46.97 6.36 Favored Glycine 0 N--CA 1.452 -0.255 0 C-N-CA 120.758 -0.734 . . . . 0.0 112.448 179.887 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 115' ' ' ARG . . . . . 0.551 ' N ' ' O ' ' A' ' 111' ' ' CYS . 1.6 tmm_? -50.21 -25.33 3.53 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-O 120.881 0.372 . . . . 0.0 110.781 -179.771 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 116' ' ' THR . . . . . 0.401 HG23 ' N ' ' A' ' 117' ' ' LEU . 9.7 t -100.83 -40.98 7.04 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.288 -0.415 . . . . 0.0 111.223 -179.926 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 117' ' ' LEU . . . . . 0.401 ' N ' HG23 ' A' ' 116' ' ' THR . 7.7 tt -65.59 -19.08 65.77 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.954 179.866 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 118' ' ' VAL . . . . . . . . . . . . . 60.2 t -102.34 -44.25 10.08 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.148 179.789 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 119' ' ' VAL . . . . . . . . . . . . . 88.2 t -79.36 -59.67 2.8 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.117 179.911 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 120' ' ' HIS . . . . . . . . . . . . . 32.6 m170 -98.79 39.07 1.29 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.866 179.936 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 121' ' ' GLU . . . . . . . . . . . . . 35.4 tt0 -54.89 -35.49 64.14 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.965 180.0 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 122' ' ' LYS . . . . . 0.414 ' O ' ' HB3' ' A' ' 123' ' ' ALA . 15.7 ttmt -58.59 -22.12 55.19 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.079 -0.509 . . . . 0.0 110.931 179.921 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 123' ' ' ALA . . . . . 0.414 ' HB3' ' O ' ' A' ' 122' ' ' LYS . . . 66.94 112.34 0.04 OUTLIER 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.256 -0.429 . . . . 0.0 111.096 179.832 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 124' ' ' ASP . . . . . . . . . . . . . 1.2 t70 63.89 43.98 5.06 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.86 -179.964 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 125' ' ' ASP . . . . . . . . . . . . . 4.2 t70 . . . . . 0 C--N 1.329 -0.322 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.865 179.956 . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' 1' ' ' ALA . . . . . 0.677 ' HB1' ' HD2' ' A' ' 3' ' ' LYS . . . . . . . . 0 C--O 1.232 0.134 0 CA-C-O 120.973 0.416 . . . . 0.0 111.06 . . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -160.96 24.63 0.14 Allowed 'General case' 0 C--O 1.234 0.246 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.158 -179.993 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 3' ' ' LYS . . . . . 0.677 ' HD2' ' HB1' ' A' ' 1' ' ' ALA . 0.0 OUTLIER -89.79 -45.43 9.29 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.286 -0.416 . . . . 0.0 110.99 179.898 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -62.89 -14.68 49.33 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.081 -0.509 . . . . 0.0 111.043 179.849 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 2.8 t -85.41 -47.84 16.59 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.176 -0.466 . . . . 0.0 111.183 179.94 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 6' ' ' CYS . . . . . 0.546 ' O ' HG23 ' A' ' 7' ' ' VAL . 6.0 p -176.95 75.06 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.832 179.894 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 7' ' ' VAL . . . . . 0.546 HG23 ' O ' ' A' ' 6' ' ' CYS . 1.0 OUTLIER -177.94 -34.68 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.134 -179.954 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -62.55 -16.88 58.38 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.867 -179.977 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 2.2 mptt -93.42 -2.0 55.11 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.916 179.811 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -136.22 48.31 0.93 Allowed Glycine 0 N--CA 1.452 -0.291 0 C-N-CA 120.663 -0.78 . . . . 0.0 112.47 179.899 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -136.94 22.58 3.06 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 120.864 0.364 . . . . 0.0 110.892 179.999 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 12' ' ' GLY . . . . . 0.542 ' N ' ' CD ' ' A' ' 13' ' ' PRO . . . 61.35 47.07 92.9 Favored Glycine 0 N--CA 1.451 -0.354 0 C-N-CA 120.745 -0.741 . . . . 0.0 112.488 -179.892 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 13' ' ' PRO . . . . . 0.542 ' CD ' ' N ' ' A' ' 12' ' ' GLY . 53.8 Cg_endo -69.79 -84.66 0.01 OUTLIER 'Trans proline' 0 C--O 1.231 0.174 0 C-N-CA 122.69 2.26 . . . . 0.0 112.337 -179.937 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 14' ' ' VAL . . . . . 0.405 ' H ' ' HG2' ' A' ' 13' ' ' PRO . 22.7 m -85.83 -16.06 10.07 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.222 179.876 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 46.3 tp60 -96.65 -42.52 7.99 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.955 -179.959 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -73.75 -29.37 63.42 Favored Glycine 0 N--CA 1.45 -0.383 0 C-N-CA 120.782 -0.723 . . . . 0.0 112.486 -179.984 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 5.0 tp -84.55 -27.64 6.9 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 CA-C-O 120.742 0.306 . . . . 0.0 111.031 -179.889 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 0.8 OUTLIER -63.57 -34.55 68.32 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.127 179.853 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 2.0 m-20 -94.93 -24.1 17.13 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.875 179.947 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 3.1 m-85 -81.06 -36.09 30.94 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.926 -179.989 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 1.1 tp10 -85.78 -11.33 53.77 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.872 -179.955 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 4.5 tp60 -99.82 -38.63 8.57 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.865 -179.838 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 7.2 mmtm -80.59 -33.01 36.33 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.933 179.951 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 24' ' ' GLU . . . . . 0.722 ' CG ' HG11 ' A' ' 29' ' ' VAL . 5.2 tt0 -89.26 8.75 28.81 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.224 -0.443 . . . . 0.0 110.973 179.883 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 4.7 m -119.03 13.03 12.92 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.896 -179.808 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 26' ' ' ASN . . . . . 0.493 ' O ' HG23 ' A' ' 31' ' ' VAL . 1.3 m-20 177.06 -31.14 0.0 OUTLIER 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.892 -179.953 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . -62.19 -153.83 0.05 OUTLIER Glycine 0 N--CA 1.45 -0.407 0 C-N-CA 120.77 -0.729 . . . . 0.0 112.474 179.993 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 54.6 Cg_endo -69.78 49.12 0.69 Allowed 'Trans proline' 0 C--N 1.343 0.251 0 C-N-CA 122.505 2.136 . . . . 0.0 112.364 -179.946 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 29' ' ' VAL . . . . . 0.722 HG11 ' CG ' ' A' ' 24' ' ' GLU . 20.8 t -146.06 -59.76 0.1 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.141 -0.482 . . . . 0.0 111.166 179.819 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 30' ' ' LYS . . . . . 0.583 ' HG2' HG23 ' A' ' 35' ' ' ILE . 25.5 ttmt -66.44 -48.66 69.24 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.917 179.835 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 31' ' ' VAL . . . . . 0.493 HG23 ' O ' ' A' ' 26' ' ' ASN . 99.2 t -60.45 -20.96 21.88 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.111 179.97 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 32' ' ' TRP . . . . . . . . . . . . . 4.6 t-105 -55.94 -57.75 10.77 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.949 179.965 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -165.13 18.5 0.1 Allowed Glycine 0 N--CA 1.451 -0.342 0 C-N-CA 120.781 -0.724 . . . . 0.0 112.504 179.964 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 48.2 t -82.74 -64.15 1.23 Allowed 'General case' 0 C--N 1.328 -0.368 0 CA-C-O 120.791 0.329 . . . . 0.0 110.832 -179.661 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 35' ' ' ILE . . . . . 0.583 HG23 ' HG2' ' A' ' 30' ' ' LYS . 15.6 pt -57.69 -15.52 4.38 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.161 179.842 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -119.84 14.53 12.5 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.862 179.857 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -154.98 -62.26 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 120.795 -0.717 . . . . 0.0 112.403 179.947 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 38' ' ' LEU . . . . . 0.536 ' HG ' HD12 ' A' ' 42' ' ' LEU . 3.6 tp -71.42 -56.93 4.98 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-O 120.865 0.364 . . . . 0.0 110.915 -179.836 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 3.9 m -82.78 -16.39 48.08 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.057 -0.519 . . . . 0.0 111.133 179.956 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -93.86 -27.4 16.44 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.28 -0.418 . . . . 0.0 110.893 179.993 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -100.4 -40.19 3.05 Favored Glycine 0 N--CA 1.452 -0.273 0 C-N-CA 120.699 -0.762 . . . . 0.0 112.479 179.965 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 42' ' ' LEU . . . . . 0.596 ' O ' HG23 ' A' ' 47' ' ' VAL . 5.0 mt -91.71 -25.88 18.87 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.803 0.335 . . . . 0.0 110.884 -179.941 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 43' ' ' HIS . . . . . . . . . . . . . 0.9 OUTLIER -121.89 -5.08 9.08 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.284 -0.416 . . . . 0.0 110.768 179.958 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . -114.1 -22.72 5.16 Favored Glycine 0 N--CA 1.45 -0.37 0 C-N-CA 120.817 -0.706 . . . . 0.0 112.515 -179.948 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . 12.0 t80 -121.13 -20.61 6.72 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 120.946 0.403 . . . . 0.0 110.926 -179.91 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 46' ' ' HIS . . . . . . . . . . . . . 8.3 t-80 -101.68 -34.92 9.28 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.873 179.921 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 47' ' ' VAL . . . . . 0.596 HG23 ' O ' ' A' ' 42' ' ' LEU . 92.7 t -101.67 -23.48 4.37 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.115 179.988 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 48' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER -117.13 -27.07 6.59 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.86 179.981 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 32.7 mt-10 52.37 41.72 30.76 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.846 -179.898 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 50' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER 63.48 27.65 15.18 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.044 -0.525 . . . . 0.0 110.861 -179.93 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 177.85 -87.9 0.07 OUTLIER Glycine 0 N--CA 1.451 -0.357 0 C-N-CA 120.79 -0.719 . . . . 0.0 112.524 179.977 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 52' ' ' ASP . . . . . 0.62 ' O ' HG22 ' A' ' 54' ' ' THR . 1.7 t0 -162.32 44.19 0.14 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.875 0.369 . . . . 0.0 110.888 -179.974 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 53' ' ' ASN . . . . . . . . . . . . . 11.3 m-20 49.87 31.48 4.66 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.83 179.987 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 54' ' ' THR . . . . . 0.62 HG22 ' O ' ' A' ' 52' ' ' ASP . 8.9 t -172.12 -34.11 0.01 OUTLIER 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.099 -0.501 . . . . 0.0 111.149 179.974 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 55' ' ' ALA . . . . . 0.654 ' O ' ' HB2' ' A' ' 60' ' ' ALA . . . -122.14 32.93 5.63 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.108 179.811 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . -133.88 -35.78 0.27 Allowed Glycine 0 N--CA 1.452 -0.275 0 C-N-CA 120.797 -0.715 . . . . 0.0 112.513 179.979 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 57' ' ' CYS . . . . . . . . . . . . . 17.9 m -142.8 20.93 1.98 Allowed 'General case' 0 C--N 1.328 -0.366 0 CA-C-O 120.939 0.4 . . . . 0.0 110.88 -179.831 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 58' ' ' THR . . . . . . . . . . . . . 1.2 p -151.33 18.76 0.74 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.2 -0.454 . . . . 0.0 111.129 -179.776 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 3.4 t -175.59 -33.5 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.856 -179.922 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 60' ' ' ALA . . . . . 0.654 ' HB2' ' O ' ' A' ' 55' ' ' ALA . . . -73.99 -20.14 60.43 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.132 -0.486 . . . . 0.0 111.072 179.921 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . -52.19 -70.47 0.88 Allowed Glycine 0 N--CA 1.452 -0.289 0 C-N-CA 120.812 -0.708 . . . . 0.0 112.427 -179.939 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 62' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.64 125.21 11.94 Favored 'Trans proline' 0 C--O 1.232 0.201 0 C-N-CA 122.688 2.259 . . . . 0.0 112.388 -179.944 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 63' ' ' HIS . . . . . . . . . . . . . 1.9 m-70 -168.1 -179.76 4.24 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.856 179.963 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 64' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -74.02 -41.13 62.32 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.229 -0.442 . . . . 0.0 110.805 -179.934 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 65' ' ' ASN . . . . . . . . . . . . . 18.8 m120 -149.63 80.3 7.61 Favored Pre-proline 0 C--N 1.329 -0.304 0 CA-C-O 121.561 0.696 . . . . 0.0 110.859 -179.831 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 66' ' ' PRO . . . . . . . . . . . . . 54.3 Cg_endo -69.68 55.9 1.29 Allowed 'Trans proline' 0 C--O 1.234 0.284 0 C-N-CA 122.723 2.282 . . . . 0.0 112.38 179.917 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER 179.64 28.02 0.0 OUTLIER 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.288 -0.415 . . . . 0.0 110.899 -179.978 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 35.6 p -175.52 38.34 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.884 -179.906 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 69' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -178.22 -34.15 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.798 -179.875 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 24.8 mtpt -50.25 -74.97 0.03 OUTLIER 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.35 -0.386 . . . . 0.0 110.907 179.956 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 71' ' ' HIS . . . . . . . . . . . . . 14.1 m-70 -91.0 46.14 1.3 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.855 179.893 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . 92.59 -34.61 4.4 Favored Glycine 0 N--CA 1.45 -0.381 0 C-N-CA 120.715 -0.755 . . . . 0.0 112.501 -179.977 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . 130.0 -70.52 0.51 Allowed Glycine 0 N--CA 1.45 -0.43 0 C-N-CA 120.722 -0.752 . . . . 0.0 112.569 -179.86 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 74' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.81 -170.07 0.37 Allowed 'Trans proline' 0 C--O 1.232 0.189 0 C-N-CA 122.656 2.237 . . . . 0.0 112.37 179.952 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 65.59 160.8 0.13 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.904 179.935 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 8.7 t70 57.0 24.52 9.6 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.778 179.919 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 13.0 pt-20 -166.07 -41.11 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.321 -0.4 . . . . 0.0 110.886 -179.94 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 24.4 tt0 -103.44 -57.77 1.98 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.885 -179.915 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 79' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -82.95 1.02 41.82 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.121 -0.491 . . . . 0.0 110.85 -179.86 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 80' ' ' HIS . . . . . . . . . . . . . 1.6 t-160 -94.07 -23.01 18.15 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.82 179.989 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 81' ' ' VAL . . . . . . . . . . . . . 5.3 m -153.59 28.62 0.07 OUTLIER 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.31 -0.405 . . . . 0.0 111.187 179.856 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . -67.18 -7.97 47.61 Favored Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.724 -0.75 . . . . 0.0 112.477 179.976 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 83' ' ' ASP . . . . . . . . . . . . . 2.9 m-20 72.85 28.07 2.08 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-O 120.848 0.356 . . . . 0.0 110.883 179.992 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 84' ' ' LEU . . . . . 0.612 ' O ' ' N ' ' A' ' 88' ' ' THR . 0.0 OUTLIER -157.47 -87.43 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.931 -179.872 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 85' ' ' GLY . . . . . 0.55 ' H ' HD12 ' A' ' 84' ' ' LEU . . . -48.57 -24.56 4.01 Favored Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.684 -0.769 . . . . 0.0 112.454 179.928 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 86' ' ' ASN . . . . . . . . . . . . . 4.6 t30 -95.42 -26.9 15.68 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.827 0.346 . . . . 0.0 110.793 -179.904 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 87' ' ' VAL . . . . . 0.451 HG12 ' N ' ' A' ' 84' ' ' LEU . 7.1 p -108.1 7.52 9.43 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.277 -0.42 . . . . 0.0 111.111 179.947 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 88' ' ' THR . . . . . 0.612 ' N ' ' O ' ' A' ' 84' ' ' LEU . 2.2 m -119.65 9.57 11.48 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.135 -179.983 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 89' ' ' ALA . . . . . 0.425 ' HB3' ' O ' ' A' ' 88' ' ' THR . . . 67.62 9.73 7.27 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.256 -0.429 . . . . 0.0 111.138 179.899 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 90' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER 169.65 -58.78 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.885 179.951 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 91' ' ' LYS . . . . . 0.422 ' HA ' ' HA2' ' A' ' 85' ' ' GLY . 0.0 OUTLIER 170.23 -26.51 0.0 OUTLIER 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.901 179.979 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 92' ' ' ASP . . . . . . . . . . . . . 33.2 m-20 -124.45 -35.03 2.81 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.823 179.888 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 93' ' ' GLY . . . . . 0.441 ' N ' HG22 ' A' ' 88' ' ' THR . . . -174.39 -28.89 0.03 OUTLIER Glycine 0 N--CA 1.451 -0.303 0 C-N-CA 120.694 -0.765 . . . . 0.0 112.481 -179.852 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 94' ' ' VAL . . . . . 0.432 ' HB ' ' O ' ' A' ' 93' ' ' GLY . 2.7 p 170.09 -20.03 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.327 -0.377 0 CA-C-O 120.853 0.359 . . . . 0.0 111.174 -179.94 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 95' ' ' ALA . . . . . 1.065 ' HB3' HD13 ' A' ' 99' ' ' ILE . . . -135.81 21.62 3.31 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.102 -0.499 . . . . 0.0 111.132 179.853 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 96' ' ' ASP . . . . . 0.539 ' CG ' ' O ' ' A' ' 96' ' ' ASP . 0.0 OUTLIER 67.21 13.75 9.51 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.892 179.954 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 97' ' ' VAL . . . . . 0.631 ' HB ' HD12 ' A' ' 99' ' ' ILE . 3.2 t -133.53 7.61 1.36 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.182 -179.973 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 98' ' ' SER . . . . . 0.415 ' HA ' ' HA3' ' A' ' 93' ' ' GLY . 0.1 OUTLIER 66.46 35.34 5.64 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.858 -179.861 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 99' ' ' ILE . . . . . 1.065 HD13 ' HB3' ' A' ' 95' ' ' ALA . 0.9 OUTLIER -50.83 -42.84 23.81 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.132 179.948 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 100' ' ' GLU . . . . . . . . . . . . . 1.2 mt-10 -64.53 -30.8 71.83 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.849 179.941 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 101' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -86.6 -16.04 37.95 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.861 -179.971 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 102' ' ' SER . . . . . . . . . . . . . 1.5 t -94.61 -36.47 11.78 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.829 -179.7 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 103' ' ' VAL . . . . . 0.475 HG23 ' O ' ' A' ' 99' ' ' ILE . 92.9 t -74.85 -23.33 17.54 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.233 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.129 179.947 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 104' ' ' ILE . . . . . . . . . . . . . 83.6 mt -94.8 -26.92 4.3 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.326 0 CA-C-N 116.281 -0.418 . . . . 0.0 111.084 179.897 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 105' ' ' SER . . . . . . . . . . . . . 30.8 t -87.42 -21.26 25.69 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.899 -179.905 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 106' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -86.17 -39.1 17.0 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.842 -179.994 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 107' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -98.44 -34.18 10.74 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.799 -179.805 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 108' ' ' GLY . . . . . . . . . . . . . . . -81.06 2.99 78.95 Favored Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.78 -0.724 . . . . 0.0 112.557 179.939 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 109' ' ' ASP . . . . . 0.493 ' CG ' HD12 ' A' ' 113' ' ' ILE . 0.8 OUTLIER -133.6 6.44 3.76 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 120.822 0.344 . . . . 0.0 110.836 179.993 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 110' ' ' HIS . . . . . . . . . . . . . 46.7 t60 -124.79 -18.25 5.64 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.835 -179.931 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 111' ' ' CYS . . . . . . . . . . . . . 3.1 t -116.09 -29.5 6.28 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.895 -179.868 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 112' ' ' ILE . . . . . . . . . . . . . 64.3 mt -100.64 -43.66 10.8 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.348 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.194 -179.996 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 113' ' ' ILE . . . . . 0.493 HD12 ' CG ' ' A' ' 109' ' ' ASP . 46.1 mt -98.23 -58.18 3.99 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.119 179.868 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 114' ' ' GLY . . . . . 0.579 ' O ' HG13 ' A' ' 118' ' ' VAL . . . -58.46 -26.0 58.82 Favored Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.753 -0.737 . . . . 0.0 112.477 179.846 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 115' ' ' ARG . . . . . 0.573 ' O ' HG23 ' A' ' 119' ' ' VAL . 0.1 OUTLIER -60.17 -59.04 6.04 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.877 0.37 . . . . 0.0 110.91 -179.855 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 116' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -71.41 -16.15 62.39 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.132 -179.923 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 117' ' ' LEU . . . . . . . . . . . . . 4.5 tt -84.66 -29.17 25.9 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.953 179.921 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 118' ' ' VAL . . . . . 0.579 HG13 ' O ' ' A' ' 114' ' ' GLY . 15.5 m -99.73 -29.53 3.35 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.179 179.811 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 119' ' ' VAL . . . . . 0.573 HG23 ' O ' ' A' ' 115' ' ' ARG . 7.5 t -61.06 -71.08 0.12 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.117 -0.492 . . . . 0.0 111.037 179.958 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 120' ' ' HIS . . . . . 0.498 ' N ' HG12 ' A' ' 119' ' ' VAL . 33.9 m170 -133.48 -35.26 1.01 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.902 -180.0 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 121' ' ' GLU . . . . . . . . . . . . . 5.2 tt0 48.14 36.78 7.02 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.943 -179.921 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 122' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -80.91 -0.04 37.44 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.899 179.985 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 123' ' ' ALA . . . . . . . . . . . . . . . -76.23 -5.41 46.76 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.284 -0.416 . . . . 0.0 111.145 179.767 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 124' ' ' ASP . . . . . . . . . . . . . 7.0 p-10 -158.64 -41.27 0.06 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.861 -179.961 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 125' ' ' ASP . . . . . . . . . . . . . 17.2 t70 . . . . . 0 C--N 1.328 -0.341 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.836 179.99 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 32.8 m . . . . . 0 C--O 1.23 0.05 0 CA-C-O 120.824 0.345 . . . . 0.0 111.13 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 11.3 tp60 -97.64 -49.34 4.89 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.872 -179.96 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -66.37 -33.91 86.33 Favored Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.689 -0.767 . . . . 0.0 112.488 -179.953 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 61.7 mt -83.54 -22.81 8.3 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.347 0 CA-C-O 120.824 0.345 . . . . 0.0 111.189 179.943 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 0.3 OUTLIER -64.77 -36.99 79.02 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.354 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.08 179.893 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 1.0 OUTLIER -94.68 -23.12 17.72 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.911 179.903 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 3.4 m-85 -81.8 -35.89 29.01 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.918 179.998 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 61.2 tt0 -85.39 -11.0 55.54 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.914 -179.951 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 67.7 mt-30 -100.65 -36.12 9.25 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.895 -179.912 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 5.0 mmtm -82.19 -35.27 28.49 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.857 -179.985 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 9.2 tt0 -82.73 0.99 40.99 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.876 -179.975 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 2.1 m . . . . . 0 C--N 1.33 -0.274 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.75 -179.79 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER . . . . . 0 C--O 1.232 0.14 0 CA-C-O 120.822 0.344 . . . . 0.0 110.911 . . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 11.5 t -69.07 -12.82 16.51 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.176 179.836 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 32' ' ' TRP . . . . . . . . . . . . . 0.9 OUTLIER -130.88 36.57 3.87 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.097 -0.502 . . . . 0.0 110.969 179.982 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -178.64 -38.99 0.06 OUTLIER Glycine 0 N--CA 1.452 -0.255 0 C-N-CA 120.733 -0.746 . . . . 0.0 112.474 -179.939 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 48.3 t -81.29 -62.17 1.73 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.821 0.343 . . . . 0.0 110.852 -179.698 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 35' ' ' ILE . . . . . 0.442 ' O ' ' HB2' ' A' ' 40' ' ' GLU . 1.2 mt -58.21 -14.47 3.84 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.087 179.972 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 3.3 mptt -121.32 11.01 10.69 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.866 179.87 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -148.55 -63.49 0.01 OUTLIER Glycine 0 N--CA 1.45 -0.387 0 C-N-CA 120.73 -0.747 . . . . 0.0 112.471 179.98 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 38' ' ' LEU . . . . . 0.498 HD23 HD11 ' A' ' 42' ' ' LEU . 36.3 mt -73.9 -56.59 4.78 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 120.939 0.399 . . . . 0.0 110.928 -179.929 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -77.84 -18.88 55.8 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.134 179.942 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 40' ' ' GLU . . . . . 0.442 ' HB2' ' O ' ' A' ' 35' ' ' ILE . 0.3 OUTLIER -93.95 -25.32 17.32 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.884 179.965 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 41' ' ' GLY . . . . . 0.403 ' HA2' ' HB3' ' A' ' 45' ' ' PHE . . . -101.04 -40.92 2.73 Favored Glycine 0 N--CA 1.451 -0.36 0 C-N-CA 120.759 -0.734 . . . . 0.0 112.516 -179.988 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 42' ' ' LEU . . . . . 0.728 ' O ' HG23 ' A' ' 47' ' ' VAL . 4.1 mt -90.84 -26.08 19.58 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-O 120.837 0.351 . . . . 0.0 110.97 -179.981 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 43' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -121.78 -6.1 9.1 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.818 179.906 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 44' ' ' GLY . . . . . 0.412 ' HA3' ' HA ' ' A' ' 40' ' ' GLU . . . -112.62 -22.29 5.8 Favored Glycine 0 N--CA 1.45 -0.369 0 C-N-CA 120.749 -0.739 . . . . 0.0 112.476 -179.927 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 45' ' ' PHE . . . . . 0.403 ' HB3' ' HA2' ' A' ' 41' ' ' GLY . 8.4 t80 -120.56 -24.09 5.89 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-O 120.917 0.389 . . . . 0.0 110.918 -179.921 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 46' ' ' HIS . . . . . . . . . . . . . 2.6 t-80 -96.63 -63.58 1.13 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.84 179.966 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 47' ' ' VAL . . . . . 0.728 HG23 ' O ' ' A' ' 42' ' ' LEU . 47.7 t -70.83 -61.7 1.58 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.119 -179.999 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 48' ' ' HIS . . . . . . . . . . . . . 24.2 m170 -68.0 -22.97 64.97 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.858 179.93 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER . . . . . 0 C--N 1.329 -0.313 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.942 -179.85 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 22.9 t . . . . . 0 C--O 1.231 0.1 0 CA-C-O 120.781 0.324 . . . . 0.0 110.807 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A ' 99' ' ' ILE . . . . . . . . . . . . . 44.3 mt -57.15 -42.32 79.47 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.145 -0.48 . . . . 0.0 111.155 179.957 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 100' ' ' GLU . . . . . . . . . . . . . 13.8 mt-10 -69.93 -36.1 75.06 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.938 179.923 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 101' ' ' ASP . . . . . . . . . . . . . 3.1 t70 -77.22 -16.18 59.17 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.925 179.917 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 102' ' ' SER . . . . . 0.429 ' O ' HD23 ' A' ' 106' ' ' LEU . 0.3 OUTLIER -97.83 -39.71 8.88 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.775 -179.675 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 103' ' ' VAL . . . . . . . . . . . . . 8.3 p -64.95 -24.96 36.6 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.131 179.9 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 104' ' ' ILE . . . . . . . . . . . . . 44.2 mm -95.47 -29.03 3.98 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.164 179.921 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 105' ' ' SER . . . . . . . . . . . . . 5.6 m -79.63 -30.0 41.2 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.884 -179.953 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 106' ' ' LEU . . . . . 0.429 HD23 ' O ' ' A' ' 102' ' ' SER . 1.9 mm? -64.18 -42.86 96.5 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.95 179.944 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 107' ' ' SER . . . . . . . . . . . . . 63.5 p -100.44 -9.35 22.24 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.839 -179.938 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 108' ' ' GLY . . . . . 0.605 ' O ' HD12 ' A' ' 113' ' ' ILE . . . -104.65 -1.94 43.28 Favored Glycine 0 N--CA 1.451 -0.355 0 C-N-CA 120.713 -0.756 . . . . 0.0 112.459 -179.995 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 109' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -135.84 9.43 3.32 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.865 0.364 . . . . 0.0 110.854 179.989 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 110' ' ' HIS . . . . . . . . . . . . . 10.5 t60 -131.75 -8.94 3.57 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.918 179.97 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 111' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -115.7 -35.11 4.62 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.883 -179.977 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 112' ' ' ILE . . . . . . . . . . . . . 13.1 tt -102.61 -40.83 7.26 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.095 -179.915 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 113' ' ' ILE . . . . . 0.605 HD12 ' O ' ' A' ' 108' ' ' GLY . 9.1 mt -97.76 -58.83 3.57 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.165 179.868 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 114' ' ' GLY . . . . . . . . . . . . . . . -60.18 -19.16 51.17 Favored Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.763 -0.732 . . . . 0.0 112.461 179.847 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 115' ' ' ARG . . . . . 0.452 ' O ' HG23 ' A' ' 119' ' ' VAL . 1.1 tmm_? -67.54 -57.15 7.0 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-O 120.92 0.391 . . . . 0.0 110.842 -179.802 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 116' ' ' THR . . . . . . . . . . . . . 9.0 t -72.3 -37.61 68.93 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.167 -0.469 . . . . 0.0 111.129 -179.88 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 117' ' ' LEU . . . . . . . . . . . . . 18.1 tp -62.98 -30.15 71.37 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.893 179.971 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 118' ' ' VAL . . . . . . . . . . . . . 72.8 t -97.63 -22.73 4.84 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.106 179.881 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 119' ' ' VAL . . . . . 0.452 HG23 ' O ' ' A' ' 115' ' ' ARG . 2.3 t -74.79 -58.6 4.41 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.36 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.16 179.894 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 120' ' ' HIS . . . . . 0.439 ' N ' HG12 ' A' ' 119' ' ' VAL . 3.5 m170 -120.85 -32.5 3.97 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.872 179.921 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 121' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 C--N 1.329 -0.299 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.873 -179.935 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 21.6 m . . . . . 0 C--O 1.231 0.112 0 CA-C-O 120.729 0.3 . . . . 0.0 111.047 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 4.3 tp60 -97.47 -49.7 4.8 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.898 -179.969 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -66.14 -35.37 90.39 Favored Glycine 0 N--CA 1.452 -0.241 0 C-N-CA 120.729 -0.748 . . . . 0.0 112.468 -179.939 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 61.4 mt -82.68 -21.2 9.43 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.353 0 CA-C-O 120.863 0.363 . . . . 0.0 111.18 -179.988 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 0.3 OUTLIER -64.35 -35.49 74.34 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 116.13 -0.486 . . . . 0.0 111.164 179.791 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 2.1 m-20 -94.99 -24.11 17.08 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.957 179.93 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 0.9 OUTLIER -81.64 -35.47 29.97 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.255 -0.429 . . . . 0.0 110.857 179.973 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 2.9 tt0 -85.29 -11.83 53.81 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.097 -0.502 . . . . 0.0 110.88 -179.854 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 48.0 mt-30 -99.86 -38.3 8.69 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.945 -179.914 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 4.5 mmpt? -78.93 -37.29 40.19 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.921 179.913 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 2.8 tt0 -86.07 9.87 15.98 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.919 179.937 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 3.6 m . . . . . 0 C--N 1.33 -0.282 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.854 -179.749 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 5.5 mttp . . . . . 0 C--O 1.232 0.152 0 CA-C-O 120.784 0.326 . . . . 0.0 110.814 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' A' A ' 31' ' ' VAL . . . . . 0.454 ' O ' HG12 ' A' ' 31' ' ' VAL . 56.5 t -67.39 -11.3 13.71 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-N 116.244 -0.434 . . . . 0.0 111.118 179.955 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 32' ' ' TRP . . . . . . . . . . . . . 5.0 m95 -68.72 -7.45 33.75 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.941 179.902 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 134.48 13.4 1.29 Allowed Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.637 -0.792 . . . . 0.0 112.445 179.942 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 47.3 t -80.39 -63.36 1.43 Allowed 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 120.842 0.354 . . . . 0.0 110.883 -179.781 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 14.4 pt -57.55 -16.07 4.92 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.121 179.982 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -118.97 10.09 12.09 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.945 179.847 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -148.89 -67.79 0.01 OUTLIER Glycine 0 N--CA 1.45 -0.378 0 C-N-CA 120.778 -0.725 . . . . 0.0 112.517 179.953 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -69.79 -60.31 2.39 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.867 0.365 . . . . 0.0 110.944 -179.972 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -73.46 -19.81 60.86 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.151 179.952 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 40' ' ' GLU . . . . . 0.458 ' HA ' ' HA3' ' A' ' 44' ' ' GLY . 1.5 tt0 -91.21 -16.45 27.64 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.808 -179.971 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -107.69 -26.21 5.67 Favored Glycine 0 N--CA 1.45 -0.404 0 C-N-CA 120.779 -0.724 . . . . 0.0 112.584 179.991 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 42' ' ' LEU . . . . . 0.481 ' O ' HG23 ' A' ' 47' ' ' VAL . 0.3 OUTLIER -91.93 -39.75 11.53 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-O 120.884 0.373 . . . . 0.0 110.94 -179.929 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 43' ' ' HIS . . . . . . . . . . . . . 1.4 t60 -119.54 -16.55 8.87 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.883 179.899 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 44' ' ' GLY . . . . . 0.458 ' HA3' ' HA ' ' A' ' 40' ' ' GLU . . . -100.75 18.16 55.38 Favored Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.693 -0.765 . . . . 0.0 112.473 -179.964 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . 5.1 t80 -172.62 -30.56 0.01 OUTLIER 'General case' 0 C--N 1.331 -0.228 0 CA-C-O 120.867 0.365 . . . . 0.0 110.863 -179.919 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 46' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -84.33 -52.52 6.14 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.811 179.998 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 47' ' ' VAL . . . . . 0.481 HG23 ' O ' ' A' ' 42' ' ' LEU . 92.5 t -90.65 -28.19 4.94 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.129 -179.962 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 48' ' ' HIS . . . . . . . . . . . . . 40.3 m-70 -120.61 36.49 4.56 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.886 179.899 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 2.8 tt0 . . . . . 0 C--N 1.329 -0.309 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.916 -179.93 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--O 1.232 0.145 0 CA-C-O 120.913 0.387 . . . . 0.0 110.882 . . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 99' ' ' ILE . . . . . . . . . . . . . 46.1 mm -51.86 -41.97 31.62 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.202 179.842 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 100' ' ' GLU . . . . . . . . . . . . . 1.2 mt-10 -69.57 -35.6 75.53 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.862 179.951 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 101' ' ' ASP . . . . . . . . . . . . . 6.5 t70 -77.3 -16.01 59.16 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.84 179.997 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 102' ' ' SER . . . . . 0.53 ' O ' HD23 ' A' ' 106' ' ' LEU . 0.3 OUTLIER -97.76 -41.18 8.19 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.847 -179.707 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 103' ' ' VAL . . . . . 0.424 HG13 HG13 ' A' ' 104' ' ' ILE . 7.5 p -62.47 -25.18 37.24 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-N 116.118 -0.492 . . . . 0.0 111.112 179.863 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 104' ' ' ILE . . . . . 0.424 HG13 HG13 ' A' ' 103' ' ' VAL . 82.9 mt -95.66 -33.1 4.6 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.09 179.985 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 105' ' ' SER . . . . . . . . . . . . . 20.2 m -75.97 -26.6 56.95 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.854 -179.89 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 106' ' ' LEU . . . . . 0.53 HD23 ' O ' ' A' ' 102' ' ' SER . 1.4 mm? -63.04 -44.52 95.64 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.064 -0.516 . . . . 0.0 110.852 -179.972 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 107' ' ' SER . . . . . . . . . . . . . 72.6 p -100.37 -9.64 22.03 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.822 -179.783 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 108' ' ' GLY . . . . . . . . . . . . . . . -102.51 -3.64 50.04 Favored Glycine 0 N--CA 1.451 -0.347 0 C-N-CA 120.672 -0.775 . . . . 0.0 112.495 179.964 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 109' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -133.84 13.88 3.99 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.854 0.359 . . . . 0.0 110.913 179.976 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 110' ' ' HIS . . . . . . . . . . . . . 22.2 t-80 -124.51 -17.47 6.01 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.895 179.952 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 111' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -116.32 -28.45 6.51 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.324 -0.398 . . . . 0.0 110.946 -179.982 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 112' ' ' ILE . . . . . . . . . . . . . 31.8 mm -101.09 -45.33 11.37 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.11 -0.495 . . . . 0.0 111.177 179.956 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 113' ' ' ILE . . . . . . . . . . . . . 32.7 mm -98.16 -57.79 4.24 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.361 0 CA-C-N 116.119 -0.491 . . . . 0.0 111.085 179.887 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 114' ' ' GLY . . . . . . . . . . . . . . . -60.39 -16.11 41.66 Favored Glycine 0 N--CA 1.452 -0.234 0 C-N-CA 120.828 -0.701 . . . . 0.0 112.365 179.958 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 115' ' ' ARG . . . . . . . . . . . . . 1.6 ttt180 -75.96 -30.1 58.51 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-O 121.002 0.429 . . . . 0.0 110.892 -179.812 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 116' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -102.41 -44.23 5.44 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.229 -179.952 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 117' ' ' LEU . . . . . . . . . . . . . 2.5 tt -59.2 -20.85 57.55 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.987 179.937 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 118' ' ' VAL . . . . . . . . . . . . . 84.9 t -101.87 -35.26 4.05 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.26 0 CA-C-N 116.068 -0.514 . . . . 0.0 111.113 179.789 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 119' ' ' VAL . . . . . . . . . . . . . 57.4 t -85.68 -63.65 1.21 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.022 179.991 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 120' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER -98.04 39.85 1.21 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.876 -179.976 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 121' ' ' GLU . . . . . . . . . . . . . 5.5 pt-20 . . . . . 0 C--N 1.329 -0.297 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.86 -179.878 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 12.3 p . . . . . 0 C--O 1.23 0.077 0 CA-C-O 120.808 0.337 . . . . 0.0 111.15 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 1.4 tp60 -97.18 -36.83 10.33 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.932 -179.937 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -83.71 -28.77 34.23 Favored Glycine 0 C--N 1.333 0.371 0 C-N-CA 120.662 -0.78 . . . . 0.0 112.467 -179.963 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 87.0 mt -84.72 -30.58 7.0 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.349 0 CA-C-O 120.799 0.333 . . . . 0.0 111.093 -179.969 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 1.0 OUTLIER -64.05 -33.93 65.39 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.15 179.921 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 2.6 m-20 -93.52 -23.21 18.43 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.834 179.982 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 3.1 m-85 -82.91 -34.89 26.51 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.885 -179.942 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 3.6 tt0 -85.29 -12.58 52.03 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.117 -0.492 . . . . 0.0 111.022 179.958 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 64.0 mt-30 -98.9 -40.25 8.18 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.88 -179.894 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 9.5 mmpt? -70.7 -38.33 73.65 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.251 -0.432 . . . . 0.0 110.948 179.913 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 1.3 tt0 -86.61 7.06 27.94 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.101 -0.499 . . . . 0.0 110.941 179.977 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 3.8 m . . . . . 0 C--N 1.329 -0.29 0 CA-C-N 116.072 -0.513 . . . . 0.0 110.944 -179.836 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 5.6 mttt . . . . . 0 C--O 1.232 0.179 0 CA-C-O 120.74 0.305 . . . . 0.0 110.799 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 8.4 p -54.49 -17.88 2.4 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-N 116.28 -0.418 . . . . 0.0 110.98 179.982 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 32' ' ' TRP . . . . . . . . . . . . . 59.0 t-105 -53.06 -56.43 16.21 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.933 -179.981 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -157.67 18.66 0.36 Allowed Glycine 0 N--CA 1.452 -0.269 0 C-N-CA 120.711 -0.757 . . . . 0.0 112.459 179.974 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 28.9 t -82.63 -61.6 1.84 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.838 0.352 . . . . 0.0 110.825 -179.7 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 35' ' ' ILE . . . . . 0.405 ' O ' ' HB2' ' A' ' 40' ' ' GLU . 1.1 mt -57.6 -15.53 4.22 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.175 179.939 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -120.47 12.41 11.59 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.928 179.83 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -150.44 -62.51 0.01 OUTLIER Glycine 0 N--CA 1.452 -0.254 0 C-N-CA 120.774 -0.727 . . . . 0.0 112.524 179.959 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 38' ' ' LEU . . . . . 0.781 HD23 HD11 ' A' ' 42' ' ' LEU . 10.2 mt -74.01 -56.72 4.6 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-O 120.807 0.337 . . . . 0.0 110.851 -179.848 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -79.49 -17.99 52.97 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.144 179.963 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 40' ' ' GLU . . . . . 0.405 ' HB2' ' O ' ' A' ' 35' ' ' ILE . 5.0 tp10 -94.34 -28.14 15.71 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.002 179.923 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 41' ' ' GLY . . . . . 0.407 ' HA2' ' HB3' ' A' ' 45' ' ' PHE . . . -100.25 -40.92 2.91 Favored Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.657 -0.782 . . . . 0.0 112.438 -179.972 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 42' ' ' LEU . . . . . 0.781 HD11 HD23 ' A' ' 38' ' ' LEU . 3.4 mt -91.24 -25.48 19.48 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-O 120.859 0.361 . . . . 0.0 110.951 -179.968 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 43' ' ' HIS . . . . . . . . . . . . . 0.7 OUTLIER -121.91 -5.48 9.06 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.874 179.961 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 44' ' ' GLY . . . . . 0.4 ' HA3' ' HA ' ' A' ' 40' ' ' GLU . . . -113.67 -23.71 4.94 Favored Glycine 0 N--CA 1.452 -0.296 0 C-N-CA 120.714 -0.755 . . . . 0.0 112.395 -179.834 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 45' ' ' PHE . . . . . 0.407 ' HB3' ' HA2' ' A' ' 41' ' ' GLY . 9.4 t80 -122.21 -20.66 6.13 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.926 0.393 . . . . 0.0 110.933 -179.932 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 46' ' ' HIS . . . . . . . . . . . . . 3.3 t-80 -99.32 -39.64 8.31 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.857 -179.97 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 47' ' ' VAL . . . . . 0.687 HG23 ' O ' ' A' ' 42' ' ' LEU . 78.6 t -97.61 -34.08 4.62 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.362 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.173 179.894 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 48' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER -103.38 -28.65 11.7 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.322 -0.399 . . . . 0.0 110.798 179.922 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 1.3 tp10 . . . . . 0 C--N 1.329 -0.32 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.796 -179.926 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--O 1.233 0.218 0 CA-C-O 120.774 0.321 . . . . 0.0 110.767 . . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 99' ' ' ILE . . . . . . . . . . . . . 2.1 mp -57.19 -40.59 74.51 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.346 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.17 179.931 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 100' ' ' GLU . . . . . . . . . . . . . 1.8 mp0 -71.07 -39.42 72.2 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.081 -0.509 . . . . 0.0 110.875 179.926 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 101' ' ' ASP . . . . . . . . . . . . . 11.3 t70 -73.78 -16.34 61.16 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.928 179.955 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 102' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -97.64 -41.81 7.95 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.837 -179.765 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 103' ' ' VAL . . . . . 0.418 HG13 HG13 ' A' ' 104' ' ' ILE . 7.3 p -63.83 -23.97 34.65 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.222 179.868 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 104' ' ' ILE . . . . . 0.418 HG13 HG13 ' A' ' 103' ' ' VAL . 66.1 mt -95.67 -30.93 4.05 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-N 116.051 -0.522 . . . . 0.0 111.112 179.962 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 105' ' ' SER . . . . . . . . . . . . . 79.3 p -78.83 -28.85 44.42 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.853 -179.946 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 106' ' ' LEU . . . . . . . . . . . . . 12.0 tp -64.0 -43.61 95.12 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.865 -179.967 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 107' ' ' SER . . . . . . . . . . . . . 60.3 p -100.15 -9.61 22.34 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.868 -179.905 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 108' ' ' GLY . . . . . 0.568 ' O ' HD12 ' A' ' 113' ' ' ILE . . . -103.85 -2.59 46.03 Favored Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 120.778 -0.725 . . . . 0.0 112.467 -179.9 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 109' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -135.6 13.11 3.46 Favored 'General case' 0 C--N 1.331 -0.209 0 CA-C-O 120.855 0.359 . . . . 0.0 110.769 -179.824 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 110' ' ' HIS . . . . . . . . . . . . . 9.3 t60 -131.55 -8.94 3.65 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.852 -179.945 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 111' ' ' CYS . . . . . . . . . . . . . 78.1 m -116.22 -33.19 5.08 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.866 -179.938 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 112' ' ' ILE . . . . . 0.42 HG23 ' N ' ' A' ' 113' ' ' ILE . 6.6 tt -103.54 -41.44 7.25 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.24 -0.437 . . . . 0.0 111.022 -179.88 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 113' ' ' ILE . . . . . 0.568 HD12 ' O ' ' A' ' 108' ' ' GLY . 4.7 mt -99.35 -59.6 3.19 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.224 -0.443 . . . . 0.0 111.062 179.938 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 114' ' ' GLY . . . . . . . . . . . . . . . -60.67 -24.4 62.09 Favored Glycine 0 N--CA 1.451 -0.334 0 C-N-CA 120.803 -0.713 . . . . 0.0 112.472 179.971 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 115' ' ' ARG . . . . . . . . . . . . . 3.4 tmt_? -74.59 -13.32 60.64 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.844 0.354 . . . . 0.0 110.778 -179.797 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 116' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -102.96 -33.25 9.37 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.317 -0.401 . . . . 0.0 111.104 -179.899 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 117' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -88.64 -29.02 20.26 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.3 -0.409 . . . . 0.0 110.846 -179.989 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 118' ' ' VAL . . . . . . . . . . . . . 9.3 t -102.83 -64.43 1.56 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.101 -0.5 . . . . 0.0 111.156 179.845 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 119' ' ' VAL . . . . . . . . . . . . . 2.3 t -64.45 -31.06 51.99 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.255 0 CA-C-N 116.116 -0.493 . . . . 0.0 111.101 179.995 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 120' ' ' HIS . . . . . . . . . . . . . 0.5 OUTLIER -120.31 38.0 4.1 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.765 179.941 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 121' ' ' GLU . . . . . . . . . . . . . 45.3 tt0 . . . . . 0 C--N 1.328 -0.341 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.924 -179.991 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 31.4 m . . . . . 0 C--O 1.231 0.105 0 CA-C-O 120.76 0.314 . . . . 0.0 111.11 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 37.0 tp60 -97.72 -49.59 4.78 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.913 179.999 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -66.14 -35.08 89.99 Favored Glycine 0 N--CA 1.449 -0.454 0 C-N-CA 120.748 -0.739 . . . . 0.0 112.505 -179.944 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 61.1 mt -82.85 -21.42 9.19 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.256 0 CA-C-O 120.824 0.345 . . . . 0.0 111.119 -179.941 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 0.3 OUTLIER -64.66 -35.13 73.99 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.253 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.213 179.767 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 5.5 m-20 -94.73 -23.7 17.44 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.873 179.919 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 0.9 OUTLIER -82.88 -33.38 26.97 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.83 -179.921 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 2.0 tt0 -83.49 -14.03 53.3 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.837 -179.887 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -100.37 -33.41 10.39 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.898 -179.974 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 76.4 mttt -84.0 -37.76 21.79 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.288 -0.415 . . . . 0.0 110.934 179.91 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 4.5 tt0 -85.95 9.98 15.35 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.822 -179.964 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 3.9 m . . . . . 0 C--N 1.33 -0.261 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.783 -179.747 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 7.9 mttp . . . . . 0 C--O 1.231 0.11 0 CA-C-O 120.766 0.317 . . . . 0.0 110.856 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' A' A ' 31' ' ' VAL . . . . . 0.412 ' O ' HG12 ' A' ' 31' ' ' VAL . 65.0 t -60.99 -15.8 12.82 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.29 -0.414 . . . . 0.0 111.147 179.896 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 32' ' ' TRP . . . . . . . . . . . . . 0.0 OUTLIER -64.94 -57.8 7.8 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.055 179.958 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -158.74 15.76 0.25 Allowed Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.707 -0.759 . . . . 0.0 112.468 179.843 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 34' ' ' SER . . . . . 0.404 ' HA ' ' H ' ' A' ' 38' ' ' LEU . 23.3 t -82.56 -63.38 1.38 Allowed 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 120.791 0.329 . . . . 0.0 110.82 -179.747 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 35' ' ' ILE . . . . . 0.445 ' O ' ' HB2' ' A' ' 40' ' ' GLU . 15.3 pt -57.26 -14.87 2.81 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 116.101 -0.5 . . . . 0.0 111.123 179.936 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -121.17 10.91 10.77 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.916 179.888 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -148.39 -63.49 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.717 -0.754 . . . . 0.0 112.509 179.874 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 38' ' ' LEU . . . . . 0.46 HD22 HD11 ' A' ' 42' ' ' LEU . 75.8 mt -74.46 -56.41 4.88 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.953 0.406 . . . . 0.0 110.904 -179.895 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -77.56 -18.0 57.34 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.132 -0.485 . . . . 0.0 111.213 179.809 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 40' ' ' GLU . . . . . 0.445 ' HB2' ' O ' ' A' ' 35' ' ' ILE . 0.3 OUTLIER -94.82 -25.69 16.52 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.288 -0.415 . . . . 0.0 110.867 -179.986 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -101.6 -40.12 2.81 Favored Glycine 0 N--CA 1.45 -0.396 0 C-N-CA 120.789 -0.72 . . . . 0.0 112.499 -179.917 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 42' ' ' LEU . . . . . 0.582 ' O ' HG23 ' A' ' 47' ' ' VAL . 5.3 mt -90.53 -27.02 19.45 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-O 120.749 0.309 . . . . 0.0 110.89 -179.991 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 43' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -120.21 -11.34 9.22 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.799 179.898 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 44' ' ' GLY . . . . . 0.406 ' HA3' ' HA ' ' A' ' 40' ' ' GLU . . . -106.2 -24.06 7.03 Favored Glycine 0 N--CA 1.451 -0.354 0 C-N-CA 120.77 -0.728 . . . . 0.0 112.518 -179.936 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . 18.7 t80 -122.64 -15.2 7.58 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.944 0.402 . . . . 0.0 110.897 -179.894 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 46' ' ' HIS . . . . . . . . . . . . . 0.6 OUTLIER -103.13 -50.79 3.4 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.862 179.95 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 47' ' ' VAL . . . . . 0.582 HG23 ' O ' ' A' ' 42' ' ' LEU . 89.7 t -83.9 -61.75 1.67 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.17 179.993 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 48' ' ' HIS . . . . . . . . . . . . . 16.8 m80 -73.76 -55.41 6.27 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.872 179.92 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 C--N 1.33 -0.276 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.823 -179.946 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 7.1 t . . . . . 0 C--O 1.232 0.14 0 CA-C-O 120.653 0.263 . . . . 0.0 110.75 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' A' A ' 99' ' ' ILE . . . . . . . . . . . . . 48.2 mt -51.99 -42.77 34.99 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.365 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.179 179.876 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 100' ' ' GLU . . . . . 0.412 ' HA ' HG12 ' A' ' 103' ' ' VAL . 7.6 mt-10 -68.47 -35.97 78.3 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.884 -179.984 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 101' ' ' ASP . . . . . . . . . . . . . 6.5 t70 -76.96 -16.53 59.32 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.878 179.908 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 102' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -97.54 -36.31 10.35 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.298 -0.41 . . . . 0.0 110.953 -179.818 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 103' ' ' VAL . . . . . 0.412 HG12 ' HA ' ' A' ' 100' ' ' GLU . 8.6 p -69.86 -24.43 26.67 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.26 0 CA-C-N 116.029 -0.532 . . . . 0.0 111.196 179.963 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 104' ' ' ILE . . . . . . . . . . . . . 46.8 mm -95.54 -26.06 4.35 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.084 -0.507 . . . . 0.0 111.146 179.906 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 105' ' ' SER . . . . . . . . . . . . . 62.1 p -87.03 -23.13 25.08 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.839 -179.903 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 106' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -85.82 -37.76 18.88 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.123 -0.49 . . . . 0.0 111.0 -179.94 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 107' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -98.28 -37.1 9.79 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 116.05 -0.523 . . . . 0.0 110.893 -179.97 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 108' ' ' GLY . . . . . . . . . . . . . . . -78.22 0.37 74.32 Favored Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.656 -0.783 . . . . 0.0 112.499 179.984 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 109' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -133.96 18.62 3.8 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.912 0.387 . . . . 0.0 110.95 179.995 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 110' ' ' HIS . . . . . . . . . . . . . 15.5 t60 -119.57 -39.5 2.87 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.84 -179.941 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 111' ' ' CYS . . . . . 0.551 ' O ' ' N ' ' A' ' 115' ' ' ARG . 1.6 p -118.27 -51.46 2.42 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.886 -179.87 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 112' ' ' ILE . . . . . . . . . . . . . 51.2 mm -46.96 -25.7 0.67 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.107 -0.497 . . . . 0.0 111.108 -179.946 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 113' ' ' ILE . . . . . . . . . . . . . 61.5 mt -100.94 -49.25 11.13 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.115 179.919 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 114' ' ' GLY . . . . . . . . . . . . . . . -82.1 -46.97 6.36 Favored Glycine 0 N--CA 1.452 -0.255 0 C-N-CA 120.758 -0.734 . . . . 0.0 112.448 179.887 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 115' ' ' ARG . . . . . 0.551 ' N ' ' O ' ' A' ' 111' ' ' CYS . 1.6 tmm_? -50.21 -25.33 3.53 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-O 120.881 0.372 . . . . 0.0 110.781 -179.771 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 116' ' ' THR . . . . . 0.401 HG23 ' N ' ' A' ' 117' ' ' LEU . 9.7 t -100.83 -40.98 7.04 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.288 -0.415 . . . . 0.0 111.223 -179.926 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 117' ' ' LEU . . . . . 0.401 ' N ' HG23 ' A' ' 116' ' ' THR . 7.7 tt -65.59 -19.08 65.77 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.954 179.866 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 118' ' ' VAL . . . . . . . . . . . . . 60.2 t -102.34 -44.25 10.08 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.148 179.789 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 119' ' ' VAL . . . . . . . . . . . . . 88.2 t -79.36 -59.67 2.8 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.117 179.911 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 120' ' ' HIS . . . . . . . . . . . . . 32.6 m170 -98.79 39.07 1.29 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.866 179.936 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 121' ' ' GLU . . . . . . . . . . . . . 35.4 tt0 . . . . . 0 C--N 1.329 -0.293 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.965 180.0 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 22.7 m . . . . . 0 CA--C 1.523 -0.062 0 CA-C-O 120.87 0.367 . . . . 0.0 111.222 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 46.3 tp60 -96.65 -42.52 7.99 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.955 -179.959 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -73.75 -29.37 63.42 Favored Glycine 0 N--CA 1.45 -0.383 0 C-N-CA 120.782 -0.723 . . . . 0.0 112.486 -179.984 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 5.0 tp -84.55 -27.64 6.9 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 CA-C-O 120.742 0.306 . . . . 0.0 111.031 -179.889 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 0.8 OUTLIER -63.57 -34.55 68.32 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.127 179.853 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 2.0 m-20 -94.93 -24.1 17.13 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.875 179.947 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 3.1 m-85 -81.06 -36.09 30.94 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.926 -179.989 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 1.1 tp10 -85.78 -11.33 53.77 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.872 -179.955 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 4.5 tp60 -99.82 -38.63 8.57 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.865 -179.838 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 7.2 mmtm -80.59 -33.01 36.33 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.933 179.951 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 5.2 tt0 -89.26 8.75 28.81 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.224 -0.443 . . . . 0.0 110.973 179.883 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 4.7 m . . . . . 0 C--N 1.329 -0.313 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.896 -179.808 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' A' A ' 30' ' ' LYS . . . . . 0.583 ' HG2' HG23 ' A' ' 35' ' ' ILE . 25.5 ttmt . . . . . 0 C--O 1.231 0.12 0 CA-C-O 120.793 0.33 . . . . 0.0 110.917 . . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 99.2 t -60.45 -20.96 21.88 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.111 179.97 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 32' ' ' TRP . . . . . . . . . . . . . 4.6 t-105 -55.94 -57.75 10.77 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.949 179.965 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -165.13 18.5 0.1 Allowed Glycine 0 N--CA 1.451 -0.342 0 C-N-CA 120.781 -0.724 . . . . 0.0 112.504 179.964 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 48.2 t -82.74 -64.15 1.23 Allowed 'General case' 0 C--N 1.328 -0.368 0 CA-C-O 120.791 0.329 . . . . 0.0 110.832 -179.661 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 35' ' ' ILE . . . . . 0.583 HG23 ' HG2' ' A' ' 30' ' ' LYS . 15.6 pt -57.69 -15.52 4.38 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.161 179.842 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -119.84 14.53 12.5 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.862 179.857 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -154.98 -62.26 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 120.795 -0.717 . . . . 0.0 112.403 179.947 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 38' ' ' LEU . . . . . 0.536 ' HG ' HD12 ' A' ' 42' ' ' LEU . 3.6 tp -71.42 -56.93 4.98 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-O 120.865 0.364 . . . . 0.0 110.915 -179.836 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 3.9 m -82.78 -16.39 48.08 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.057 -0.519 . . . . 0.0 111.133 179.956 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -93.86 -27.4 16.44 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.28 -0.418 . . . . 0.0 110.893 179.993 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -100.4 -40.19 3.05 Favored Glycine 0 N--CA 1.452 -0.273 0 C-N-CA 120.699 -0.762 . . . . 0.0 112.479 179.965 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 42' ' ' LEU . . . . . 0.596 ' O ' HG23 ' A' ' 47' ' ' VAL . 5.0 mt -91.71 -25.88 18.87 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.803 0.335 . . . . 0.0 110.884 -179.941 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 43' ' ' HIS . . . . . . . . . . . . . 0.9 OUTLIER -121.89 -5.08 9.08 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.284 -0.416 . . . . 0.0 110.768 179.958 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . -114.1 -22.72 5.16 Favored Glycine 0 N--CA 1.45 -0.37 0 C-N-CA 120.817 -0.706 . . . . 0.0 112.515 -179.948 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . 12.0 t80 -121.13 -20.61 6.72 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 120.946 0.403 . . . . 0.0 110.926 -179.91 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 46' ' ' HIS . . . . . . . . . . . . . 8.3 t-80 -101.68 -34.92 9.28 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.873 179.921 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 47' ' ' VAL . . . . . 0.596 HG23 ' O ' ' A' ' 42' ' ' LEU . 92.7 t -101.67 -23.48 4.37 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.115 179.988 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 48' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER -117.13 -27.07 6.59 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.86 179.981 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 32.7 mt-10 . . . . . 0 C--N 1.33 -0.277 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.846 -179.898 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--O 1.233 0.196 0 CA-C-O 120.836 0.35 . . . . 0.0 110.858 . . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 99' ' ' ILE . . . . . 0.475 ' O ' HG23 ' A' ' 103' ' ' VAL . 0.9 OUTLIER -50.83 -42.84 23.81 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.132 179.948 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 100' ' ' GLU . . . . . . . . . . . . . 1.2 mt-10 -64.53 -30.8 71.83 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.849 179.941 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 101' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -86.6 -16.04 37.95 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.861 -179.971 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 102' ' ' SER . . . . . . . . . . . . . 1.5 t -94.61 -36.47 11.78 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.829 -179.7 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 103' ' ' VAL . . . . . 0.475 HG23 ' O ' ' A' ' 99' ' ' ILE . 92.9 t -74.85 -23.33 17.54 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.233 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.129 179.947 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 104' ' ' ILE . . . . . . . . . . . . . 83.6 mt -94.8 -26.92 4.3 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.326 0 CA-C-N 116.281 -0.418 . . . . 0.0 111.084 179.897 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 105' ' ' SER . . . . . . . . . . . . . 30.8 t -87.42 -21.26 25.69 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.899 -179.905 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 106' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -86.17 -39.1 17.0 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.842 -179.994 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 107' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -98.44 -34.18 10.74 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.799 -179.805 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 108' ' ' GLY . . . . . . . . . . . . . . . -81.06 2.99 78.95 Favored Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.78 -0.724 . . . . 0.0 112.557 179.939 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 109' ' ' ASP . . . . . 0.493 ' CG ' HD12 ' A' ' 113' ' ' ILE . 0.8 OUTLIER -133.6 6.44 3.76 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 120.822 0.344 . . . . 0.0 110.836 179.993 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 110' ' ' HIS . . . . . . . . . . . . . 46.7 t60 -124.79 -18.25 5.64 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.835 -179.931 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 111' ' ' CYS . . . . . . . . . . . . . 3.1 t -116.09 -29.5 6.28 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.895 -179.868 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 112' ' ' ILE . . . . . . . . . . . . . 64.3 mt -100.64 -43.66 10.8 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.348 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.194 -179.996 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 113' ' ' ILE . . . . . 0.493 HD12 ' CG ' ' A' ' 109' ' ' ASP . 46.1 mt -98.23 -58.18 3.99 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.119 179.868 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 114' ' ' GLY . . . . . 0.579 ' O ' HG13 ' A' ' 118' ' ' VAL . . . -58.46 -26.0 58.82 Favored Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.753 -0.737 . . . . 0.0 112.477 179.846 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 115' ' ' ARG . . . . . 0.573 ' O ' HG23 ' A' ' 119' ' ' VAL . 0.1 OUTLIER -60.17 -59.04 6.04 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.877 0.37 . . . . 0.0 110.91 -179.855 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 116' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -71.41 -16.15 62.39 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.132 -179.923 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 117' ' ' LEU . . . . . . . . . . . . . 4.5 tt -84.66 -29.17 25.9 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.953 179.921 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 118' ' ' VAL . . . . . 0.579 HG13 ' O ' ' A' ' 114' ' ' GLY . 15.5 m -99.73 -29.53 3.35 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.179 179.811 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 119' ' ' VAL . . . . . 0.573 HG23 ' O ' ' A' ' 115' ' ' ARG . 7.5 t -61.06 -71.08 0.12 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.117 -0.492 . . . . 0.0 111.037 179.958 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 120' ' ' HIS . . . . . 0.498 ' N ' HG12 ' A' ' 119' ' ' VAL . 33.9 m170 -133.48 -35.26 1.01 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.902 -180.0 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 121' ' ' GLU . . . . . . . . . . . . . 5.2 tt0 . . . . . 0 C--N 1.33 -0.27 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.943 -179.921 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 1' ' ' ALA . . . . . 0.886 ' HB3' HD22 ' A' ' 8' ' ' LEU . . . . . . . . 0 C--O 1.232 0.153 0 CA-C-O 120.817 0.342 . . . . 0.0 111.111 . . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 2' ' ' THR . . . . . 0.564 HG23 ' CD ' ' A' ' 3' ' ' LYS . 0.0 OUTLIER 178.92 -38.28 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.159 -179.854 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 3' ' ' LYS . . . . . 0.564 ' CD ' HG23 ' A' ' 2' ' ' THR . 0.0 OUTLIER -167.57 24.12 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.87 179.876 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -87.31 -20.19 27.16 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.258 -0.428 . . . . 0.0 111.124 179.817 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 24.9 t -118.89 -47.68 3.49 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.103 -179.991 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 6' ' ' CYS . . . . . 0.428 ' O ' ' C ' ' A' ' 7' ' ' VAL . 2.4 t -176.16 79.49 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.911 -179.945 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 7' ' ' VAL . . . . . 0.428 ' C ' ' O ' ' A' ' 6' ' ' CYS . 14.4 m 35.21 57.95 0.15 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.141 -179.974 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 8' ' ' LEU . . . . . 0.886 HD22 ' HB3' ' A' ' 1' ' ' ALA . 0.2 OUTLIER -60.92 -18.31 56.05 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.917 179.992 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 2.6 tppp? -93.44 -1.92 55.17 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.91 179.798 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -139.52 50.4 0.78 Allowed Glycine 0 N--CA 1.451 -0.355 0 C-N-CA 120.808 -0.711 . . . . 0.0 112.483 179.929 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 3.4 m-20 -137.73 21.97 2.89 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-O 120.829 0.347 . . . . 0.0 110.909 179.941 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 12' ' ' GLY . . . . . 0.527 ' N ' ' CD ' ' A' ' 13' ' ' PRO . . . 61.36 47.01 93.21 Favored Glycine 0 N--CA 1.452 -0.292 0 C-N-CA 120.695 -0.764 . . . . 0.0 112.531 -179.953 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 13' ' ' PRO . . . . . 0.527 ' CD ' ' N ' ' A' ' 12' ' ' GLY . 53.5 Cg_endo -69.77 -56.5 0.14 Allowed 'Trans proline' 0 C--N 1.342 0.213 0 C-N-CA 122.645 2.23 . . . . 0.0 112.313 -179.924 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 32.8 m -90.87 -17.31 7.86 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.13 179.966 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 11.3 tp60 -97.64 -49.34 4.89 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.872 -179.96 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -66.37 -33.91 86.33 Favored Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.689 -0.767 . . . . 0.0 112.488 -179.953 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 61.7 mt -83.54 -22.81 8.3 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.347 0 CA-C-O 120.824 0.345 . . . . 0.0 111.189 179.943 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 0.3 OUTLIER -64.77 -36.99 79.02 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.354 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.08 179.893 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 1.0 OUTLIER -94.68 -23.12 17.72 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.911 179.903 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 3.4 m-85 -81.8 -35.89 29.01 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.918 179.998 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 61.2 tt0 -85.39 -11.0 55.54 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.914 -179.951 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 67.7 mt-30 -100.65 -36.12 9.25 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.895 -179.912 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 5.0 mmtm -82.19 -35.27 28.49 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.857 -179.985 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 9.2 tt0 -82.73 0.99 40.99 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.876 -179.975 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 2.1 m -117.55 3.71 12.42 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.75 -179.79 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 28.2 m-80 -141.61 -38.3 0.4 Allowed 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.897 -179.967 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 27' ' ' GLY . . . . . 0.408 ' C ' ' H ' ' A' ' 29' ' ' VAL . . . -57.69 -80.83 0.08 OUTLIER Glycine 0 N--CA 1.451 -0.306 0 C-N-CA 120.775 -0.726 . . . . 0.0 112.434 -179.988 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.72 9.9 0.54 Allowed 'Trans proline' 0 C--O 1.231 0.173 0 C-N-CA 122.781 2.321 . . . . 0.0 112.294 -179.913 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 29' ' ' VAL . . . . . 0.408 ' H ' ' C ' ' A' ' 27' ' ' GLY . 21.9 t -108.87 -44.36 6.42 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.129 179.947 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -103.44 -40.01 6.54 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.911 179.898 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 11.5 t -69.07 -12.82 16.51 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.176 179.836 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 32' ' ' TRP . . . . . . . . . . . . . 0.9 OUTLIER -130.88 36.57 3.87 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.097 -0.502 . . . . 0.0 110.969 179.982 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -178.64 -38.99 0.06 OUTLIER Glycine 0 N--CA 1.452 -0.255 0 C-N-CA 120.733 -0.746 . . . . 0.0 112.474 -179.939 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 48.3 t -81.29 -62.17 1.73 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.821 0.343 . . . . 0.0 110.852 -179.698 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 35' ' ' ILE . . . . . 0.442 ' O ' ' HB2' ' A' ' 40' ' ' GLU . 1.2 mt -58.21 -14.47 3.84 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.087 179.972 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 3.3 mptt -121.32 11.01 10.69 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.866 179.87 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -148.55 -63.49 0.01 OUTLIER Glycine 0 N--CA 1.45 -0.387 0 C-N-CA 120.73 -0.747 . . . . 0.0 112.471 179.98 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 38' ' ' LEU . . . . . 0.498 HD23 HD11 ' A' ' 42' ' ' LEU . 36.3 mt -73.9 -56.59 4.78 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 120.939 0.399 . . . . 0.0 110.928 -179.929 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -77.84 -18.88 55.8 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.134 179.942 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 40' ' ' GLU . . . . . 0.442 ' HB2' ' O ' ' A' ' 35' ' ' ILE . 0.3 OUTLIER -93.95 -25.32 17.32 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.884 179.965 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 41' ' ' GLY . . . . . 0.403 ' HA2' ' HB3' ' A' ' 45' ' ' PHE . . . -101.04 -40.92 2.73 Favored Glycine 0 N--CA 1.451 -0.36 0 C-N-CA 120.759 -0.734 . . . . 0.0 112.516 -179.988 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 42' ' ' LEU . . . . . 0.728 ' O ' HG23 ' A' ' 47' ' ' VAL . 4.1 mt -90.84 -26.08 19.58 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-O 120.837 0.351 . . . . 0.0 110.97 -179.981 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 43' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -121.78 -6.1 9.1 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.818 179.906 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 44' ' ' GLY . . . . . 0.412 ' HA3' ' HA ' ' A' ' 40' ' ' GLU . . . -112.62 -22.29 5.8 Favored Glycine 0 N--CA 1.45 -0.369 0 C-N-CA 120.749 -0.739 . . . . 0.0 112.476 -179.927 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 45' ' ' PHE . . . . . 0.403 ' HB3' ' HA2' ' A' ' 41' ' ' GLY . 8.4 t80 -120.56 -24.09 5.89 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-O 120.917 0.389 . . . . 0.0 110.918 -179.921 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 46' ' ' HIS . . . . . . . . . . . . . 2.6 t-80 -96.63 -63.58 1.13 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.84 179.966 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 47' ' ' VAL . . . . . 0.728 HG23 ' O ' ' A' ' 42' ' ' LEU . 47.7 t -70.83 -61.7 1.58 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.119 -179.999 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 48' ' ' HIS . . . . . . . . . . . . . 24.2 m170 -68.0 -22.97 64.97 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.858 179.93 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER 54.37 39.72 31.17 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.942 -179.85 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 50' ' ' PHE . . . . . . . . . . . . . 0.3 OUTLIER 60.09 22.16 11.38 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.88 -179.873 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . -174.72 -90.92 0.08 OUTLIER Glycine 0 N--CA 1.451 -0.3 0 C-N-CA 120.747 -0.74 . . . . 0.0 112.503 -179.94 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 4.1 m-20 -151.68 60.89 0.87 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.787 0.327 . . . . 0.0 110.8 -179.977 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 53' ' ' ASN . . . . . . . . . . . . . 4.0 m120 68.96 -72.8 0.1 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.916 -179.925 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 54' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -159.84 22.8 0.17 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.2 -179.961 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 55' ' ' ALA . . . . . 0.688 ' O ' ' HB3' ' A' ' 60' ' ' ALA . . . 49.19 32.02 3.96 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.104 179.945 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . -128.35 -32.07 0.64 Allowed Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.776 -0.726 . . . . 0.0 112.522 179.971 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 57' ' ' CYS . . . . . . . . . . . . . 33.5 m -131.7 24.12 4.69 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-O 120.859 0.361 . . . . 0.0 110.852 -179.917 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 58' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -165.98 24.93 0.05 OUTLIER 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.116 -179.914 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -171.87 -36.39 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.867 -179.878 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 60' ' ' ALA . . . . . 0.688 ' HB3' ' O ' ' A' ' 55' ' ' ALA . . . -136.4 34.46 2.75 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.092 179.863 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . -87.84 -166.09 42.02 Favored Glycine 0 N--CA 1.452 -0.271 0 C-N-CA 120.726 -0.75 . . . . 0.0 112.47 179.993 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 62' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.78 79.18 0.97 Allowed 'Trans proline' 0 C--N 1.342 0.186 0 C-N-CA 122.694 2.263 . . . . 0.0 112.357 -179.944 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 63' ' ' HIS . . . . . . . . . . . . . 11.1 p-80 -178.8 128.69 0.11 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.84 179.929 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 64' ' ' PHE . . . . . . . . . . . . . 26.3 m-85 -95.69 14.33 23.46 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.844 -179.94 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 65' ' ' ASN . . . . . . . . . . . . . 11.0 p-10 -163.42 80.94 1.54 Allowed Pre-proline 0 C--N 1.329 -0.298 0 CA-C-O 121.607 0.718 . . . . 0.0 110.89 -179.983 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 66' ' ' PRO . . . . . 0.403 ' HG2' ' HA ' ' A' ' 70' ' ' LYS . 54.2 Cg_endo -69.69 -52.31 0.34 Allowed 'Trans proline' 0 C--O 1.232 0.199 0 C-N-CA 122.663 2.242 . . . . 0.0 112.344 179.949 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 67' ' ' LEU . . . . . 0.459 HD23 HH11 ' A' ' 69' ' ' ARG . 6.9 tp -151.7 41.51 0.69 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.935 -179.991 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 8.3 t 44.33 43.39 6.0 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.902 -179.905 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 69' ' ' ARG . . . . . 0.459 HH11 HD23 ' A' ' 67' ' ' LEU . 0.5 OUTLIER 179.98 -31.19 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.905 -179.943 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 70' ' ' LYS . . . . . 0.403 ' HA ' ' HG2' ' A' ' 66' ' ' PRO . 0.0 OUTLIER 73.75 52.17 0.11 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.945 179.987 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 71' ' ' HIS . . . . . . . . . . . . . 1.8 t-80 55.67 101.73 0.01 OUTLIER 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.874 179.925 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . 89.57 -41.01 3.01 Favored Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.793 -0.717 . . . . 0.0 112.574 -179.882 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . 118.06 -80.5 0.31 Allowed Glycine 0 N--CA 1.45 -0.381 0 C-N-CA 120.735 -0.745 . . . . 0.0 112.495 -179.988 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 74' ' ' PRO . . . . . . . . . . . . . 53.2 Cg_endo -69.79 -170.95 0.43 Allowed 'Trans proline' 0 C--N 1.342 0.205 0 C-N-CA 122.662 2.241 . . . . 0.0 112.312 -179.922 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 65.39 152.56 0.06 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.958 179.889 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 3.3 m-20 54.1 31.78 14.45 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 116.287 -0.415 . . . . 0.0 110.822 179.846 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 12.3 pt-20 -171.27 -41.15 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.896 -179.899 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 1.8 mm-40 -103.39 -57.7 2.0 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.906 -179.891 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 79' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -85.61 4.93 34.04 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.869 -179.923 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 80' ' ' HIS . . . . . 0.646 ' O ' HG13 ' A' ' 81' ' ' VAL . 1.7 t-160 -98.74 -23.31 15.47 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.85 -179.933 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 81' ' ' VAL . . . . . 0.646 HG13 ' O ' ' A' ' 80' ' ' HIS . 0.0 OUTLIER -167.05 37.63 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.114 -179.987 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . -55.31 -20.35 21.75 Favored Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.694 -0.765 . . . . 0.0 112.5 179.995 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 83' ' ' ASP . . . . . 0.482 ' HA ' HG12 ' A' ' 87' ' ' VAL . 3.8 m-20 66.06 38.24 4.89 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.851 0.358 . . . . 0.0 110.864 -179.978 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 84' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -170.04 28.87 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.894 -179.998 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 85' ' ' GLY . . . . . 0.407 ' O ' ' HB3' ' A' ' 89' ' ' ALA . . . 165.49 -12.1 0.07 OUTLIER Glycine 0 N--CA 1.452 -0.253 0 C-N-CA 120.705 -0.76 . . . . 0.0 112.464 179.929 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 86' ' ' ASN . . . . . . . . . . . . . 3.1 t-20 -110.3 -25.55 10.06 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.912 0.387 . . . . 0.0 110.905 -179.877 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 87' ' ' VAL . . . . . 0.482 HG12 ' HA ' ' A' ' 83' ' ' ASP . 7.1 p -119.09 13.66 6.91 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.24 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.171 179.874 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 88' ' ' THR . . . . . 0.4 ' HA ' ' H ' ' A' ' 92' ' ' ASP . 0.0 OUTLIER -139.34 -42.15 0.46 Allowed 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.129 -179.988 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 89' ' ' ALA . . . . . 0.407 ' HB3' ' O ' ' A' ' 85' ' ' GLY . . . -52.89 -34.6 55.53 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.263 -0.426 . . . . 0.0 111.054 179.895 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 90' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -110.67 3.89 19.66 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.855 -179.968 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 91' ' ' LYS . . . . . . . . . . . . . 46.6 tptt -120.04 -77.07 0.58 Allowed 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.811 179.998 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 92' ' ' ASP . . . . . 0.4 ' H ' ' HA ' ' A' ' 88' ' ' THR . 18.2 m-20 -49.07 -39.44 27.71 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.297 -0.41 . . . . 0.0 110.834 179.971 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . -50.72 -17.91 2.37 Favored Glycine 0 N--CA 1.451 -0.356 0 C-N-CA 120.774 -0.727 . . . . 0.0 112.518 -179.949 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 94' ' ' VAL . . . . . . . . . . . . . 0.6 OUTLIER -127.21 -24.57 1.51 Allowed 'Isoleucine or valine' 0 C--N 1.331 -0.225 0 CA-C-O 120.838 0.352 . . . . 0.0 111.123 -179.972 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . -111.04 32.56 5.19 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.127 179.866 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 96' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -177.86 -27.21 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.946 179.939 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 97' ' ' VAL . . . . . 0.476 ' O ' HG12 ' A' ' 97' ' ' VAL . 4.3 t -116.97 22.19 5.94 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.187 -0.461 . . . . 0.0 111.046 -179.982 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 22.9 t -140.94 -43.18 0.39 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.807 -179.838 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 99' ' ' ILE . . . . . . . . . . . . . 44.3 mt -57.15 -42.32 79.47 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.145 -0.48 . . . . 0.0 111.155 179.957 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 100' ' ' GLU . . . . . . . . . . . . . 13.8 mt-10 -69.93 -36.1 75.06 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.938 179.923 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 101' ' ' ASP . . . . . . . . . . . . . 3.1 t70 -77.22 -16.18 59.17 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.925 179.917 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 102' ' ' SER . . . . . 0.429 ' O ' HD23 ' A' ' 106' ' ' LEU . 0.3 OUTLIER -97.83 -39.71 8.88 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.775 -179.675 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 103' ' ' VAL . . . . . . . . . . . . . 8.3 p -64.95 -24.96 36.6 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.131 179.9 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 104' ' ' ILE . . . . . . . . . . . . . 44.2 mm -95.47 -29.03 3.98 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.164 179.921 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 105' ' ' SER . . . . . . . . . . . . . 5.6 m -79.63 -30.0 41.2 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.884 -179.953 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 106' ' ' LEU . . . . . 0.429 HD23 ' O ' ' A' ' 102' ' ' SER . 1.9 mm? -64.18 -42.86 96.5 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.95 179.944 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 107' ' ' SER . . . . . . . . . . . . . 63.5 p -100.44 -9.35 22.24 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.839 -179.938 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 108' ' ' GLY . . . . . 0.605 ' O ' HD12 ' A' ' 113' ' ' ILE . . . -104.65 -1.94 43.28 Favored Glycine 0 N--CA 1.451 -0.355 0 C-N-CA 120.713 -0.756 . . . . 0.0 112.459 -179.995 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 109' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -135.84 9.43 3.32 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.865 0.364 . . . . 0.0 110.854 179.989 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 110' ' ' HIS . . . . . . . . . . . . . 10.5 t60 -131.75 -8.94 3.57 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.918 179.97 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 111' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -115.7 -35.11 4.62 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.883 -179.977 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 112' ' ' ILE . . . . . . . . . . . . . 13.1 tt -102.61 -40.83 7.26 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.095 -179.915 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 113' ' ' ILE . . . . . 0.605 HD12 ' O ' ' A' ' 108' ' ' GLY . 9.1 mt -97.76 -58.83 3.57 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.165 179.868 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 114' ' ' GLY . . . . . . . . . . . . . . . -60.18 -19.16 51.17 Favored Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.763 -0.732 . . . . 0.0 112.461 179.847 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 115' ' ' ARG . . . . . 0.452 ' O ' HG23 ' A' ' 119' ' ' VAL . 1.1 tmm_? -67.54 -57.15 7.0 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-O 120.92 0.391 . . . . 0.0 110.842 -179.802 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 116' ' ' THR . . . . . . . . . . . . . 9.0 t -72.3 -37.61 68.93 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.167 -0.469 . . . . 0.0 111.129 -179.88 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 117' ' ' LEU . . . . . . . . . . . . . 18.1 tp -62.98 -30.15 71.37 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.893 179.971 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 118' ' ' VAL . . . . . . . . . . . . . 72.8 t -97.63 -22.73 4.84 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.106 179.881 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 119' ' ' VAL . . . . . 0.452 HG23 ' O ' ' A' ' 115' ' ' ARG . 2.3 t -74.79 -58.6 4.41 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.36 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.16 179.894 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 120' ' ' HIS . . . . . 0.439 ' N ' HG12 ' A' ' 119' ' ' VAL . 3.5 m170 -120.85 -32.5 3.97 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.872 179.921 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 121' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER 71.29 1.94 4.05 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.873 -179.935 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 122' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -64.47 -64.88 0.76 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.964 179.965 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 123' ' ' ALA . . . . . . . . . . . . . . . 179.87 -32.32 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.154 179.817 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 124' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -159.92 178.47 9.72 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.842 179.987 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 125' ' ' ASP . . . . . . . . . . . . . 18.6 p-10 . . . . . 0 C--N 1.329 -0.299 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.797 -179.948 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.231 0.13 0 CA-C-O 120.823 0.345 . . . . 0.0 111.117 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' 2' ' ' THR . . . . . 0.464 HG23 ' HG3' ' A' ' 3' ' ' LYS . 1.8 t 179.09 -32.86 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.17 -179.892 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 3' ' ' LYS . . . . . 0.464 ' HG3' HG23 ' A' ' 2' ' ' THR . 0.0 OUTLIER 179.73 31.56 0.0 OUTLIER 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.851 179.997 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -76.82 -12.86 60.03 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.267 -0.424 . . . . 0.0 111.136 179.817 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 81.3 t -117.35 -50.83 4.33 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.094 179.948 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 1.8 t -177.67 77.54 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.884 179.993 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 12.2 t 39.68 55.66 0.26 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.045 -179.98 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 8' ' ' LEU . . . . . 0.438 HD21 ' N ' ' A' ' 2' ' ' THR . 2.1 pp -65.87 -14.22 61.07 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-N 116.3 -0.409 . . . . 0.0 110.829 179.993 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -93.31 -2.03 55.35 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.894 179.763 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -142.47 52.8 0.64 Allowed Glycine 0 N--CA 1.451 -0.346 0 C-N-CA 120.791 -0.718 . . . . 0.0 112.525 -179.991 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -138.14 20.17 2.8 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-O 120.858 0.361 . . . . 0.0 110.897 -179.957 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 12' ' ' GLY . . . . . 0.542 ' N ' ' CD ' ' A' ' 13' ' ' PRO . . . 61.44 46.44 94.35 Favored Glycine 0 N--CA 1.452 -0.293 0 C-N-CA 120.757 -0.735 . . . . 0.0 112.486 -179.939 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 13' ' ' PRO . . . . . 0.542 ' CD ' ' N ' ' A' ' 12' ' ' GLY . 53.3 Cg_endo -69.86 -56.23 0.15 Allowed 'Trans proline' 0 C--O 1.231 0.167 0 C-N-CA 122.632 2.221 . . . . 0.0 112.265 -179.91 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 21.6 m -91.03 -17.58 7.73 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.342 -0.39 . . . . 0.0 111.047 -179.999 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 4.3 tp60 -97.47 -49.7 4.8 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.898 -179.969 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -66.14 -35.37 90.39 Favored Glycine 0 N--CA 1.452 -0.241 0 C-N-CA 120.729 -0.748 . . . . 0.0 112.468 -179.939 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 17' ' ' ILE . . . . . 0.404 HD12 ' O ' ' A' ' 13' ' ' PRO . 61.4 mt -82.68 -21.2 9.43 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.353 0 CA-C-O 120.863 0.363 . . . . 0.0 111.18 -179.988 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 0.3 OUTLIER -64.35 -35.49 74.34 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 116.13 -0.486 . . . . 0.0 111.164 179.791 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 2.1 m-20 -94.99 -24.11 17.08 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.957 179.93 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 0.9 OUTLIER -81.64 -35.47 29.97 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.255 -0.429 . . . . 0.0 110.857 179.973 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 2.9 tt0 -85.29 -11.83 53.81 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.097 -0.502 . . . . 0.0 110.88 -179.854 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 48.0 mt-30 -99.86 -38.3 8.69 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.945 -179.914 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 4.5 mmpt? -78.93 -37.29 40.19 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.921 179.913 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 24' ' ' GLU . . . . . 0.419 ' O ' HG21 ' A' ' 29' ' ' VAL . 2.8 tt0 -86.07 9.87 15.98 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.919 179.937 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 3.6 m -118.4 12.9 13.46 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.854 -179.749 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 26' ' ' ASN . . . . . 0.756 ' O ' HG23 ' A' ' 31' ' ' VAL . 0.3 OUTLIER -173.63 -35.52 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.946 -179.909 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . -65.26 -120.63 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.355 0 C-N-CA 120.69 -0.767 . . . . 0.0 112.545 -179.992 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 52.8 Cg_endo -69.96 45.44 0.48 Allowed 'Trans proline' 0 C--O 1.232 0.183 0 C-N-CA 122.733 2.289 . . . . 0.0 112.237 -179.886 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 29' ' ' VAL . . . . . 0.419 HG21 ' O ' ' A' ' 24' ' ' GLU . 80.0 t -142.19 -41.02 0.19 Allowed 'Isoleucine or valine' 0 C--N 1.327 -0.372 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.185 179.883 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 5.5 mttp -106.12 -31.3 8.76 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.814 179.973 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 31' ' ' VAL . . . . . 0.756 HG23 ' O ' ' A' ' 26' ' ' ASN . 56.5 t -67.39 -11.3 13.71 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-N 116.244 -0.434 . . . . 0.0 111.118 179.955 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 32' ' ' TRP . . . . . . . . . . . . . 5.0 m95 -68.72 -7.45 33.75 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.941 179.902 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 134.48 13.4 1.29 Allowed Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.637 -0.792 . . . . 0.0 112.445 179.942 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 47.3 t -80.39 -63.36 1.43 Allowed 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 120.842 0.354 . . . . 0.0 110.883 -179.781 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 14.4 pt -57.55 -16.07 4.92 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.121 179.982 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -118.97 10.09 12.09 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.945 179.847 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -148.89 -67.79 0.01 OUTLIER Glycine 0 N--CA 1.45 -0.378 0 C-N-CA 120.778 -0.725 . . . . 0.0 112.517 179.953 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -69.79 -60.31 2.39 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.867 0.365 . . . . 0.0 110.944 -179.972 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -73.46 -19.81 60.86 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.151 179.952 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 40' ' ' GLU . . . . . 0.458 ' HA ' ' HA3' ' A' ' 44' ' ' GLY . 1.5 tt0 -91.21 -16.45 27.64 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.808 -179.971 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -107.69 -26.21 5.67 Favored Glycine 0 N--CA 1.45 -0.404 0 C-N-CA 120.779 -0.724 . . . . 0.0 112.584 179.991 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 42' ' ' LEU . . . . . 0.481 ' O ' HG23 ' A' ' 47' ' ' VAL . 0.3 OUTLIER -91.93 -39.75 11.53 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-O 120.884 0.373 . . . . 0.0 110.94 -179.929 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 43' ' ' HIS . . . . . . . . . . . . . 1.4 t60 -119.54 -16.55 8.87 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.883 179.899 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 44' ' ' GLY . . . . . 0.458 ' HA3' ' HA ' ' A' ' 40' ' ' GLU . . . -100.75 18.16 55.38 Favored Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.693 -0.765 . . . . 0.0 112.473 -179.964 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . 5.1 t80 -172.62 -30.56 0.01 OUTLIER 'General case' 0 C--N 1.331 -0.228 0 CA-C-O 120.867 0.365 . . . . 0.0 110.863 -179.919 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 46' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -84.33 -52.52 6.14 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.811 179.998 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 47' ' ' VAL . . . . . 0.481 HG23 ' O ' ' A' ' 42' ' ' LEU . 92.5 t -90.65 -28.19 4.94 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.129 -179.962 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 48' ' ' HIS . . . . . . . . . . . . . 40.3 m-70 -120.61 36.49 4.56 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.886 179.899 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 2.8 tt0 -37.86 -44.79 0.79 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.916 -179.93 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 50' ' ' PHE . . . . . . . . . . . . . 0.8 OUTLIER -163.24 33.09 0.09 Allowed 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.07 -0.514 . . . . 0.0 110.857 -179.935 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 135.74 -45.14 1.11 Allowed Glycine 0 N--CA 1.453 -0.219 0 C-N-CA 120.733 -0.746 . . . . 0.0 112.483 -179.977 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 4.9 m-20 -163.49 52.63 0.16 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.895 0.378 . . . . 0.0 110.804 -179.919 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 53' ' ' ASN . . . . . . . . . . . . . 22.1 t-20 72.39 -69.23 0.19 Allowed 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.901 -179.908 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 54' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -159.25 21.58 0.19 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.114 179.998 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 55' ' ' ALA . . . . . 0.585 ' O ' ' HB2' ' A' ' 60' ' ' ALA . . . 49.42 29.98 3.11 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.152 179.855 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . -128.11 -33.25 0.59 Allowed Glycine 0 N--CA 1.451 -0.347 0 C-N-CA 120.76 -0.733 . . . . 0.0 112.533 -179.99 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 57' ' ' CYS . . . . . . . . . . . . . 26.9 m -127.46 22.96 6.41 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.922 0.392 . . . . 0.0 110.874 -179.852 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 58' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -165.8 24.57 0.05 OUTLIER 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.135 -179.799 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -171.88 -35.73 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.785 -179.817 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 60' ' ' ALA . . . . . 0.585 ' HB2' ' O ' ' A' ' 55' ' ' ALA . . . -64.34 -17.54 63.79 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.073 179.883 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . -61.4 -164.17 0.26 Allowed Glycine 0 N--CA 1.45 -0.398 0 C-N-CA 120.797 -0.716 . . . . 0.0 112.462 -179.928 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 62' ' ' PRO . . . . . . . . . . . . . 53.2 Cg_endo -69.77 -167.8 0.24 Allowed 'Trans proline' 0 C--O 1.231 0.16 0 C-N-CA 122.721 2.281 . . . . 0.0 112.293 -179.923 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 63' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER 66.01 27.83 10.61 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.833 -179.971 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 64' ' ' PHE . . . . . . . . . . . . . 5.0 m-85 -125.77 69.12 1.18 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.924 -179.931 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 65' ' ' ASN . . . . . . . . . . . . . 9.8 m-20 -101.32 159.92 28.09 Favored Pre-proline 0 C--N 1.33 -0.268 0 CA-C-O 121.61 0.719 . . . . 0.0 110.882 -179.897 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 66' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.84 48.09 0.62 Allowed 'Trans proline' 0 C--O 1.232 0.188 0 C-N-CA 122.667 2.245 . . . . 0.0 112.346 179.961 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER 179.86 27.03 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.264 -0.426 . . . . 0.0 110.978 -179.985 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 39.7 m -163.63 29.9 0.08 Allowed 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.86 -179.81 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 69' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -172.2 -36.85 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.024 -0.534 . . . . 0.0 110.792 -179.89 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -39.0 -40.37 0.65 Allowed 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.96 179.944 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 71' ' ' HIS . . . . . . . . . . . . . 36.0 m80 -38.32 -42.7 0.74 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.855 179.947 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . -124.2 -9.87 5.38 Favored Glycine 0 N--CA 1.452 -0.279 0 C-N-CA 120.799 -0.715 . . . . 0.0 112.463 -179.988 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . 60.84 165.8 0.27 Allowed Glycine 0 N--CA 1.453 -0.194 0 C-N-CA 120.639 -0.791 . . . . 0.0 112.472 -179.919 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 74' ' ' PRO . . . . . . . . . . . . . 53.0 Cg_endo -69.69 -26.66 27.69 Favored 'Trans proline' 0 C--N 1.342 0.185 0 C-N-CA 122.709 2.273 . . . . 0.0 112.324 -179.915 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 18.2 mmtt 64.91 163.35 0.14 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.977 -179.973 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 31.4 m-20 58.11 23.13 9.77 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 116.313 -0.403 . . . . 0.0 110.908 -179.983 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 12.8 pt-20 -165.0 -41.86 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.901 -179.857 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 41.5 mm-40 -103.24 -57.75 1.99 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.903 -179.992 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 79' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -81.94 -0.58 44.59 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.746 -179.774 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 80' ' ' HIS . . . . . . . . . . . . . 8.8 t60 -89.24 -25.15 21.88 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.949 179.841 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 81' ' ' VAL . . . . . 0.916 HG12 HD11 ' A' ' 84' ' ' LEU . 5.3 m -148.19 29.7 0.13 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.124 -0.489 . . . . 0.0 111.079 179.919 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 82' ' ' GLY . . . . . 0.41 ' HA2' ' CB ' ' A' ' 86' ' ' ASN . . . -55.37 -85.81 0.02 OUTLIER Glycine 0 N--CA 1.453 -0.222 0 C-N-CA 120.767 -0.73 . . . . 0.0 112.446 179.905 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 83' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -78.27 50.32 0.91 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 120.843 0.354 . . . . 0.0 110.909 -179.992 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 84' ' ' LEU . . . . . 0.916 HD11 HG12 ' A' ' 81' ' ' VAL . 4.3 pp -171.24 17.37 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.287 -0.415 . . . . 0.0 110.975 -179.923 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . 168.9 -23.41 0.1 Allowed Glycine 0 N--CA 1.451 -0.345 0 C-N-CA 120.711 -0.757 . . . . 0.0 112.507 179.911 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 86' ' ' ASN . . . . . 0.41 ' CB ' ' HA2' ' A' ' 82' ' ' GLY . 1.8 t-20 -94.68 -38.46 10.81 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 120.798 0.332 . . . . 0.0 110.902 -179.924 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 87' ' ' VAL . . . . . 0.451 ' O ' HG12 ' A' ' 87' ' ' VAL . 5.9 t -101.21 2.34 10.61 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.117 -0.492 . . . . 0.0 111.154 179.965 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 88' ' ' THR . . . . . 0.422 ' O ' ' HB3' ' A' ' 89' ' ' ALA . 9.3 m -95.26 -5.25 44.12 Favored 'General case' 0 C--O 1.232 0.181 0 CA-C-N 116.113 -0.494 . . . . 0.0 111.14 179.979 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 89' ' ' ALA . . . . . 0.422 ' HB3' ' O ' ' A' ' 88' ' ' THR . . . 67.53 40.85 2.49 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.311 -0.404 . . . . 0.0 111.106 179.861 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 90' ' ' ASP . . . . . . . . . . . . . 9.9 m-20 60.35 102.86 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.99 -179.97 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 91' ' ' LYS . . . . . 0.81 ' HA ' ' HB3' ' A' ' 95' ' ' ALA . 41.2 tptt -178.92 -33.81 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.932 -179.94 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 92' ' ' ASP . . . . . 0.408 ' OD2' HG21 ' A' ' 88' ' ' THR . 30.0 m-20 -109.36 -45.86 3.65 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.926 179.867 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 93' ' ' GLY . . . . . 0.449 ' C ' HG12 ' A' ' 97' ' ' VAL . . . -105.93 14.61 44.94 Favored Glycine 0 N--CA 1.45 -0.388 0 C-N-CA 120.695 -0.764 . . . . 0.0 112.437 -179.917 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 94' ' ' VAL . . . . . . . . . . . . . 16.8 t -141.26 -40.46 0.21 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-O 120.753 0.311 . . . . 0.0 111.219 179.998 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 95' ' ' ALA . . . . . 0.81 ' HB3' ' HA ' ' A' ' 91' ' ' LYS . . . -111.32 31.43 6.11 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.108 -0.496 . . . . 0.0 111.006 179.871 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 96' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -162.74 -34.37 0.04 OUTLIER 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.832 179.89 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 97' ' ' VAL . . . . . 0.449 HG12 ' C ' ' A' ' 93' ' ' GLY . 0.8 OUTLIER -90.93 -5.55 10.81 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.165 -0.471 . . . . 0.0 111.15 -179.97 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -124.97 -35.67 2.64 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.882 -179.87 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 99' ' ' ILE . . . . . . . . . . . . . 46.1 mm -51.86 -41.97 31.62 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.202 179.842 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 100' ' ' GLU . . . . . . . . . . . . . 1.2 mt-10 -69.57 -35.6 75.53 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.862 179.951 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 101' ' ' ASP . . . . . . . . . . . . . 6.5 t70 -77.3 -16.01 59.16 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.84 179.997 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 102' ' ' SER . . . . . 0.53 ' O ' HD23 ' A' ' 106' ' ' LEU . 0.3 OUTLIER -97.76 -41.18 8.19 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.847 -179.707 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 103' ' ' VAL . . . . . 0.424 HG13 HG13 ' A' ' 104' ' ' ILE . 7.5 p -62.47 -25.18 37.24 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-N 116.118 -0.492 . . . . 0.0 111.112 179.863 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 104' ' ' ILE . . . . . 0.424 HG13 HG13 ' A' ' 103' ' ' VAL . 82.9 mt -95.66 -33.1 4.6 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.09 179.985 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 105' ' ' SER . . . . . . . . . . . . . 20.2 m -75.97 -26.6 56.95 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.854 -179.89 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 106' ' ' LEU . . . . . 0.53 HD23 ' O ' ' A' ' 102' ' ' SER . 1.4 mm? -63.04 -44.52 95.64 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.064 -0.516 . . . . 0.0 110.852 -179.972 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 107' ' ' SER . . . . . . . . . . . . . 72.6 p -100.37 -9.64 22.03 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.822 -179.783 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 108' ' ' GLY . . . . . . . . . . . . . . . -102.51 -3.64 50.04 Favored Glycine 0 N--CA 1.451 -0.347 0 C-N-CA 120.672 -0.775 . . . . 0.0 112.495 179.964 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 109' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -133.84 13.88 3.99 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.854 0.359 . . . . 0.0 110.913 179.976 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 110' ' ' HIS . . . . . . . . . . . . . 22.2 t-80 -124.51 -17.47 6.01 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.895 179.952 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 111' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -116.32 -28.45 6.51 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.324 -0.398 . . . . 0.0 110.946 -179.982 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 112' ' ' ILE . . . . . . . . . . . . . 31.8 mm -101.09 -45.33 11.37 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.11 -0.495 . . . . 0.0 111.177 179.956 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 113' ' ' ILE . . . . . . . . . . . . . 32.7 mm -98.16 -57.79 4.24 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.361 0 CA-C-N 116.119 -0.491 . . . . 0.0 111.085 179.887 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 114' ' ' GLY . . . . . . . . . . . . . . . -60.39 -16.11 41.66 Favored Glycine 0 N--CA 1.452 -0.234 0 C-N-CA 120.828 -0.701 . . . . 0.0 112.365 179.958 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 115' ' ' ARG . . . . . . . . . . . . . 1.6 ttt180 -75.96 -30.1 58.51 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-O 121.002 0.429 . . . . 0.0 110.892 -179.812 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 116' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -102.41 -44.23 5.44 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.229 -179.952 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 117' ' ' LEU . . . . . . . . . . . . . 2.5 tt -59.2 -20.85 57.55 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.987 179.937 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 118' ' ' VAL . . . . . . . . . . . . . 84.9 t -101.87 -35.26 4.05 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.26 0 CA-C-N 116.068 -0.514 . . . . 0.0 111.113 179.789 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 119' ' ' VAL . . . . . . . . . . . . . 57.4 t -85.68 -63.65 1.21 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.022 179.991 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 120' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER -98.04 39.85 1.21 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.876 -179.976 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 121' ' ' GLU . . . . . . . . . . . . . 5.5 pt-20 -55.06 -30.15 59.0 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.86 -179.878 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 122' ' ' LYS . . . . . 0.447 ' O ' ' HB3' ' A' ' 123' ' ' ALA . 9.4 ttmt -67.2 -24.37 65.84 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.935 179.917 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 123' ' ' ALA . . . . . 0.447 ' HB3' ' O ' ' A' ' 122' ' ' LYS . . . 68.69 8.74 6.93 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.319 -0.4 . . . . 0.0 111.051 179.856 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 124' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -172.71 33.44 0.01 OUTLIER 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.849 -179.974 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 125' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER . . . . . 0 C--N 1.331 -0.222 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.844 179.94 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 1' ' ' ALA . . . . . 0.608 ' HB1' ' HD2' ' A' ' 3' ' ' LYS . . . . . . . . 0 C--O 1.232 0.161 0 CA-C-O 120.946 0.403 . . . . 0.0 111.075 . . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 14.8 t -161.23 24.78 0.13 Allowed 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.082 -179.904 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 3' ' ' LYS . . . . . 0.608 ' HD2' ' HB1' ' A' ' 1' ' ' ALA . 0.0 OUTLIER -90.4 -45.08 9.23 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.884 179.93 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -63.22 -14.37 48.37 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.052 179.88 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 2.7 t -86.27 -48.2 15.96 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.384 0 CA-C-N 116.26 -0.427 . . . . 0.0 111.106 179.962 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 6' ' ' CYS . . . . . 0.554 ' O ' HG23 ' A' ' 7' ' ' VAL . 6.1 p -177.03 74.93 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.867 -179.918 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 7' ' ' VAL . . . . . 0.554 HG23 ' O ' ' A' ' 6' ' ' CYS . 1.0 OUTLIER -177.95 -34.78 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.257 0 CA-C-N 116.136 -0.484 . . . . 0.0 111.137 -179.921 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 17.1 tp -59.98 -20.98 60.59 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.894 179.936 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 9' ' ' LYS . . . . . 0.737 ' O ' HG11 ' A' ' 14' ' ' VAL . 6.2 mttp -93.98 -1.57 54.4 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.849 179.884 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -139.65 47.14 0.91 Allowed Glycine 0 N--CA 1.451 -0.345 0 C-N-CA 120.648 -0.786 . . . . 0.0 112.419 179.957 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 11' ' ' ASP . . . . . 0.591 ' C ' ' HD2' ' A' ' 13' ' ' PRO . 0.4 OUTLIER -110.99 -18.57 13.03 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.919 0.39 . . . . 0.0 110.884 -179.941 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 12' ' ' GLY . . . . . 0.694 ' N ' ' HD2' ' A' ' 13' ' ' PRO . . . 125.94 -46.97 1.05 Allowed Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.701 -0.762 . . . . 0.0 112.557 -179.947 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 13' ' ' PRO . . . . . 0.694 ' HD2' ' N ' ' A' ' 12' ' ' GLY . 53.2 Cg_endo -69.86 -7.92 22.3 Favored 'Trans proline' 0 C--N 1.343 0.285 0 C-N-CA 122.605 2.203 . . . . 0.0 112.341 -179.921 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 14' ' ' VAL . . . . . 0.737 HG11 ' O ' ' A' ' 9' ' ' LYS . 12.3 p -75.78 -14.9 15.35 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.245 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.15 179.911 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 1.4 tp60 -97.18 -36.83 10.33 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.932 -179.937 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -83.71 -28.77 34.23 Favored Glycine 0 C--N 1.333 0.371 0 C-N-CA 120.662 -0.78 . . . . 0.0 112.467 -179.963 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 87.0 mt -84.72 -30.58 7.0 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.349 0 CA-C-O 120.799 0.333 . . . . 0.0 111.093 -179.969 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 1.0 OUTLIER -64.05 -33.93 65.39 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.15 179.921 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 2.6 m-20 -93.52 -23.21 18.43 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.834 179.982 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 3.1 m-85 -82.91 -34.89 26.51 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.885 -179.942 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 3.6 tt0 -85.29 -12.58 52.03 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.117 -0.492 . . . . 0.0 111.022 179.958 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 64.0 mt-30 -98.9 -40.25 8.18 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.88 -179.894 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 9.5 mmpt? -70.7 -38.33 73.65 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.251 -0.432 . . . . 0.0 110.948 179.913 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 1.3 tt0 -86.61 7.06 27.94 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.101 -0.499 . . . . 0.0 110.941 179.977 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 3.8 m -117.43 14.51 14.65 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.072 -0.513 . . . . 0.0 110.944 -179.836 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 1.1 m-80 -172.95 -38.34 0.01 OUTLIER 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.82 -179.985 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 27' ' ' GLY . . . . . 0.425 ' O ' HG12 ' A' ' 31' ' ' VAL . . . -66.11 -122.56 0.01 OUTLIER Glycine 0 C--N 1.331 0.276 0 C-N-CA 120.783 -0.722 . . . . 0.0 112.382 -179.936 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 52.8 Cg_endo -69.73 51.07 0.86 Allowed 'Trans proline' 0 C--O 1.231 0.162 0 C-N-CA 122.712 2.275 . . . . 0.0 112.279 -179.842 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 75.4 t -148.56 -45.28 0.09 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.02 179.913 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 5.6 mttt -107.47 -30.12 8.84 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.799 -179.97 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 31' ' ' VAL . . . . . 0.425 HG12 ' O ' ' A' ' 27' ' ' GLY . 8.4 p -54.49 -17.88 2.4 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-N 116.28 -0.418 . . . . 0.0 110.98 179.982 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 32' ' ' TRP . . . . . . . . . . . . . 59.0 t-105 -53.06 -56.43 16.21 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.933 -179.981 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -157.67 18.66 0.36 Allowed Glycine 0 N--CA 1.452 -0.269 0 C-N-CA 120.711 -0.757 . . . . 0.0 112.459 179.974 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 28.9 t -82.63 -61.6 1.84 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.838 0.352 . . . . 0.0 110.825 -179.7 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 35' ' ' ILE . . . . . 0.405 ' O ' ' HB2' ' A' ' 40' ' ' GLU . 1.1 mt -57.6 -15.53 4.22 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.175 179.939 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -120.47 12.41 11.59 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.928 179.83 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -150.44 -62.51 0.01 OUTLIER Glycine 0 N--CA 1.452 -0.254 0 C-N-CA 120.774 -0.727 . . . . 0.0 112.524 179.959 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 38' ' ' LEU . . . . . 0.781 HD23 HD11 ' A' ' 42' ' ' LEU . 10.2 mt -74.01 -56.72 4.6 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-O 120.807 0.337 . . . . 0.0 110.851 -179.848 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -79.49 -17.99 52.97 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.144 179.963 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 40' ' ' GLU . . . . . 0.405 ' HB2' ' O ' ' A' ' 35' ' ' ILE . 5.0 tp10 -94.34 -28.14 15.71 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.002 179.923 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 41' ' ' GLY . . . . . 0.407 ' HA2' ' HB3' ' A' ' 45' ' ' PHE . . . -100.25 -40.92 2.91 Favored Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.657 -0.782 . . . . 0.0 112.438 -179.972 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 42' ' ' LEU . . . . . 0.781 HD11 HD23 ' A' ' 38' ' ' LEU . 3.4 mt -91.24 -25.48 19.48 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-O 120.859 0.361 . . . . 0.0 110.951 -179.968 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 43' ' ' HIS . . . . . . . . . . . . . 0.7 OUTLIER -121.91 -5.48 9.06 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.874 179.961 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 44' ' ' GLY . . . . . 0.4 ' HA3' ' HA ' ' A' ' 40' ' ' GLU . . . -113.67 -23.71 4.94 Favored Glycine 0 N--CA 1.452 -0.296 0 C-N-CA 120.714 -0.755 . . . . 0.0 112.395 -179.834 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 45' ' ' PHE . . . . . 0.407 ' HB3' ' HA2' ' A' ' 41' ' ' GLY . 9.4 t80 -122.21 -20.66 6.13 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.926 0.393 . . . . 0.0 110.933 -179.932 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 46' ' ' HIS . . . . . . . . . . . . . 3.3 t-80 -99.32 -39.64 8.31 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.857 -179.97 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 47' ' ' VAL . . . . . 0.687 HG23 ' O ' ' A' ' 42' ' ' LEU . 78.6 t -97.61 -34.08 4.62 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.362 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.173 179.894 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 48' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER -103.38 -28.65 11.7 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.322 -0.399 . . . . 0.0 110.798 179.922 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 49' ' ' GLU . . . . . 0.462 ' HG2' ' HB2' ' A' ' 55' ' ' ALA . 1.3 tp10 54.05 30.7 12.34 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.796 -179.926 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 50' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER 63.61 15.23 8.74 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.923 -179.934 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 130.02 -34.64 2.69 Favored Glycine 0 N--CA 1.452 -0.269 0 C-N-CA 120.645 -0.788 . . . . 0.0 112.476 -179.983 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 1.7 m-20 -66.53 -20.55 66.05 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-O 120.845 0.355 . . . . 0.0 110.892 179.945 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 53' ' ' ASN . . . . . . . . . . . . . 3.1 m120 75.06 -57.07 0.61 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.895 -179.942 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 54' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -139.67 9.85 2.43 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.196 179.925 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 55' ' ' ALA . . . . . 0.462 ' HB2' ' HG2' ' A' ' 49' ' ' GLU . . . 52.89 23.62 2.93 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.2 -0.454 . . . . 0.0 111.068 179.798 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . -128.52 -30.01 0.74 Allowed Glycine 0 N--CA 1.45 -0.399 0 C-N-CA 120.738 -0.744 . . . . 0.0 112.627 179.937 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 57' ' ' CYS . . . . . . . . . . . . . 1.2 m -108.43 8.83 27.65 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.915 0.388 . . . . 0.0 110.873 -179.951 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 58' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -159.29 19.82 0.18 Allowed 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.104 -0.498 . . . . 0.0 111.055 -179.935 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -158.6 -38.23 0.06 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.804 -179.793 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 60' ' ' ALA . . . . . 0.407 ' HB3' ' O ' ' A' ' 55' ' ' ALA . . . -130.68 40.84 3.45 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.068 -0.515 . . . . 0.0 111.23 179.894 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . -82.02 -167.68 40.0 Favored Glycine 0 N--CA 1.45 -0.368 0 C-N-CA 120.671 -0.776 . . . . 0.0 112.493 -179.899 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 62' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.82 78.95 0.99 Allowed 'Trans proline' 0 C--N 1.342 0.194 0 C-N-CA 122.705 2.27 . . . . 0.0 112.251 -179.91 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 63' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -149.51 -170.52 3.66 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.779 -179.953 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 64' ' ' PHE . . . . . . . . . . . . . 52.4 m-85 -54.99 101.89 0.06 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.942 -179.984 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 65' ' ' ASN . . . . . . . . . . . . . 39.5 m-80 -160.1 159.04 26.92 Favored Pre-proline 0 C--N 1.327 -0.377 0 CA-C-O 121.675 0.75 . . . . 0.0 110.959 -179.993 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 66' ' ' PRO . . . . . . . . . . . . . 55.1 Cg_endo -69.68 49.31 0.69 Allowed 'Trans proline' 0 C--O 1.231 0.15 0 C-N-CA 122.679 2.253 . . . . 0.0 112.342 179.919 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER 178.77 26.4 0.0 OUTLIER 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.876 179.895 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 1.1 t -168.88 27.19 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.863 -179.882 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 69' ' ' ARG . . . . . . . . . . . . . 3.8 ppt_? -148.55 14.98 0.98 Allowed 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.959 -179.875 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -122.05 -78.35 0.6 Allowed 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.862 179.986 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 71' ' ' HIS . . . . . . . . . . . . . 2.0 m80 -79.02 -13.88 59.52 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.24 -0.437 . . . . 0.0 110.866 179.927 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . -125.53 -9.56 4.88 Favored Glycine 0 N--CA 1.452 -0.29 0 C-N-CA 120.748 -0.739 . . . . 0.0 112.511 -179.967 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . -49.25 -71.01 0.66 Allowed Glycine 0 N--CA 1.45 -0.387 0 C-N-CA 120.75 -0.738 . . . . 0.0 112.429 -179.857 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 74' ' ' PRO . . . . . . . . . . . . . 54.8 Cg_endo -69.7 -171.46 0.47 Allowed 'Trans proline' 0 C--O 1.231 0.141 0 C-N-CA 122.782 2.321 . . . . 0.0 112.296 -179.951 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 66.12 149.91 0.05 OUTLIER 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.943 179.936 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 75.9 m-20 55.06 33.62 20.74 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.841 179.854 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 12.0 pt-20 -173.16 -40.41 0.01 OUTLIER 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.928 -179.904 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 78' ' ' GLU . . . . . 0.77 ' HG2' HD23 ' A' ' 84' ' ' LEU . 19.1 mt-10 -102.46 -57.35 2.07 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.896 -179.922 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 79' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -87.11 4.39 42.42 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.903 179.985 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 80' ' ' HIS . . . . . . . . . . . . . 6.7 t60 -95.21 -18.19 21.1 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.836 179.968 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 81' ' ' VAL . . . . . . . . . . . . . 23.0 t -139.63 -33.26 0.26 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.3 -0.409 . . . . 0.0 111.208 179.9 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 82' ' ' GLY . . . . . 0.441 ' HA2' ' HB2' ' A' ' 86' ' ' ASN . . . 92.06 -23.44 26.65 Favored Glycine 0 N--CA 1.451 -0.345 0 C-N-CA 120.749 -0.739 . . . . 0.0 112.531 179.996 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 83' ' ' ASP . . . . . 0.642 ' HA ' HG12 ' A' ' 87' ' ' VAL . 4.4 m-20 -81.81 37.18 0.47 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.801 0.334 . . . . 0.0 110.856 -179.936 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 84' ' ' LEU . . . . . 0.77 HD23 ' HG2' ' A' ' 78' ' ' GLU . 4.9 tp -165.01 30.48 0.06 Allowed 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.947 -179.947 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . 156.34 -9.16 0.27 Allowed Glycine 0 N--CA 1.452 -0.298 0 C-N-CA 120.78 -0.724 . . . . 0.0 112.488 179.979 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 86' ' ' ASN . . . . . 0.441 ' HB2' ' HA2' ' A' ' 82' ' ' GLY . 3.5 t-20 -111.65 -34.72 5.97 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-O 120.815 0.34 . . . . 0.0 110.92 -179.905 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 87' ' ' VAL . . . . . 0.642 HG12 ' HA ' ' A' ' 83' ' ' ASP . 1.7 p -109.96 14.87 8.33 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.105 -0.498 . . . . 0.0 111.146 179.928 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 88' ' ' THR . . . . . 0.404 ' HA ' ' H ' ' A' ' 92' ' ' ASP . 0.0 OUTLIER -139.8 -45.28 0.44 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.202 -179.975 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -48.98 -31.81 8.09 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.13 179.817 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 90' ' ' ASP . . . . . . . . . . . . . 2.7 m-20 -125.84 24.05 7.15 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.747 -179.898 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 91' ' ' LYS . . . . . 0.51 ' HA ' ' HB3' ' A' ' 95' ' ' ALA . 4.1 tptt -138.25 -55.14 0.64 Allowed 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.889 -179.954 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 92' ' ' ASP . . . . . 0.542 ' O ' HG23 ' A' ' 97' ' ' VAL . 21.3 m-20 -78.23 -52.14 9.12 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.873 179.894 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . -93.26 20.69 44.68 Favored Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.655 -0.783 . . . . 0.0 112.578 -179.962 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 94' ' ' VAL . . . . . 0.492 HG13 ' OG ' ' A' ' 102' ' ' SER . 45.6 t -146.97 -37.84 0.11 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.245 0 CA-C-O 120.81 0.338 . . . . 0.0 111.182 -179.989 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 95' ' ' ALA . . . . . 0.51 ' HB3' ' HA ' ' A' ' 91' ' ' LYS . . . -116.76 28.42 8.55 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.076 179.869 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 96' ' ' ASP . . . . . 0.582 ' HA ' HD11 ' A' ' 99' ' ' ILE . 0.4 OUTLIER -158.8 -34.74 0.06 Allowed 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.815 -179.969 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 97' ' ' VAL . . . . . 0.556 ' O ' HG12 ' A' ' 97' ' ' VAL . 11.3 t -127.3 15.48 3.45 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.367 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.119 -179.999 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -164.68 25.46 0.06 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.767 -179.856 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 99' ' ' ILE . . . . . 0.582 HD11 ' HA ' ' A' ' 96' ' ' ASP . 2.1 mp -57.19 -40.59 74.51 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.346 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.17 179.931 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 100' ' ' GLU . . . . . . . . . . . . . 1.8 mp0 -71.07 -39.42 72.2 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.081 -0.509 . . . . 0.0 110.875 179.926 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 101' ' ' ASP . . . . . . . . . . . . . 11.3 t70 -73.78 -16.34 61.16 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.928 179.955 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 102' ' ' SER . . . . . 0.492 ' OG ' HG13 ' A' ' 94' ' ' VAL . 0.3 OUTLIER -97.64 -41.81 7.95 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.837 -179.765 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 103' ' ' VAL . . . . . 0.418 HG13 HG13 ' A' ' 104' ' ' ILE . 7.3 p -63.83 -23.97 34.65 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.222 179.868 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 104' ' ' ILE . . . . . 0.418 HG13 HG13 ' A' ' 103' ' ' VAL . 66.1 mt -95.67 -30.93 4.05 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-N 116.051 -0.522 . . . . 0.0 111.112 179.962 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 105' ' ' SER . . . . . . . . . . . . . 79.3 p -78.83 -28.85 44.42 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.853 -179.946 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 106' ' ' LEU . . . . . . . . . . . . . 12.0 tp -64.0 -43.61 95.12 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.865 -179.967 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 107' ' ' SER . . . . . . . . . . . . . 60.3 p -100.15 -9.61 22.34 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.868 -179.905 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 108' ' ' GLY . . . . . 0.568 ' O ' HD12 ' A' ' 113' ' ' ILE . . . -103.85 -2.59 46.03 Favored Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 120.778 -0.725 . . . . 0.0 112.467 -179.9 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 109' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -135.6 13.11 3.46 Favored 'General case' 0 C--N 1.331 -0.209 0 CA-C-O 120.855 0.359 . . . . 0.0 110.769 -179.824 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 110' ' ' HIS . . . . . . . . . . . . . 9.3 t60 -131.55 -8.94 3.65 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.852 -179.945 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 111' ' ' CYS . . . . . . . . . . . . . 78.1 m -116.22 -33.19 5.08 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.866 -179.938 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 112' ' ' ILE . . . . . 0.42 HG23 ' N ' ' A' ' 113' ' ' ILE . 6.6 tt -103.54 -41.44 7.25 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.24 -0.437 . . . . 0.0 111.022 -179.88 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 113' ' ' ILE . . . . . 0.568 HD12 ' O ' ' A' ' 108' ' ' GLY . 4.7 mt -99.35 -59.6 3.19 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.224 -0.443 . . . . 0.0 111.062 179.938 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 114' ' ' GLY . . . . . . . . . . . . . . . -60.67 -24.4 62.09 Favored Glycine 0 N--CA 1.451 -0.334 0 C-N-CA 120.803 -0.713 . . . . 0.0 112.472 179.971 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 115' ' ' ARG . . . . . . . . . . . . . 3.4 tmt_? -74.59 -13.32 60.64 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.844 0.354 . . . . 0.0 110.778 -179.797 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 116' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -102.96 -33.25 9.37 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.317 -0.401 . . . . 0.0 111.104 -179.899 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 117' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -88.64 -29.02 20.26 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.3 -0.409 . . . . 0.0 110.846 -179.989 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 118' ' ' VAL . . . . . . . . . . . . . 9.3 t -102.83 -64.43 1.56 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.101 -0.5 . . . . 0.0 111.156 179.845 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 119' ' ' VAL . . . . . . . . . . . . . 2.3 t -64.45 -31.06 51.99 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.255 0 CA-C-N 116.116 -0.493 . . . . 0.0 111.101 179.995 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 120' ' ' HIS . . . . . . . . . . . . . 0.5 OUTLIER -120.31 38.0 4.1 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.765 179.941 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 121' ' ' GLU . . . . . . . . . . . . . 45.3 tt0 -62.89 -16.65 59.69 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.924 -179.991 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 122' ' ' LYS . . . . . . . . . . . . . 28.5 tttt -138.21 -62.16 0.59 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.867 179.881 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 123' ' ' ALA . . . . . . . . . . . . . . . 179.06 109.61 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.273 -0.421 . . . . 0.0 111.149 179.963 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 124' ' ' ASP . . . . . . . . . . . . . 5.9 t0 51.64 30.17 6.37 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.925 -179.954 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 125' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER . . . . . 0 C--N 1.329 -0.299 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.85 -180.0 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 1' ' ' ALA . . . . . 0.493 ' O ' HG23 ' A' ' 2' ' ' THR . . . . . . . . 0 N--CA 1.457 -0.124 0 CA-C-O 120.788 0.328 . . . . 0.0 111.171 . . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 2' ' ' THR . . . . . 0.493 HG23 ' O ' ' A' ' 1' ' ' ALA . 0.0 OUTLIER -179.79 -32.91 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.271 -0.422 . . . . 0.0 111.146 -179.94 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 1.1 pptp? -179.92 31.97 0.0 OUTLIER 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.28 -0.418 . . . . 0.0 111.027 179.863 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -90.41 -34.54 15.6 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.009 179.899 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 9.0 t -124.51 -35.61 1.04 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.239 0 CA-C-N 116.22 -0.446 . . . . 0.0 111.134 -179.926 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 79.9 m -65.71 -118.85 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.948 179.992 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 7.5 t -80.55 50.33 0.07 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.158 -179.957 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 5.1 tt -61.49 -19.28 61.87 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.104 -0.498 . . . . 0.0 111.001 179.917 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -93.69 -1.8 54.72 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.943 179.85 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -139.04 50.15 0.8 Allowed Glycine 0 N--CA 1.452 -0.279 0 C-N-CA 120.773 -0.727 . . . . 0.0 112.448 179.951 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -138.2 21.76 2.79 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.815 0.34 . . . . 0.0 110.872 179.951 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 12' ' ' GLY . . . . . 0.528 ' N ' ' CD ' ' A' ' 13' ' ' PRO . . . 62.37 47.28 90.68 Favored Glycine 0 N--CA 1.453 -0.219 0 C-N-CA 120.744 -0.741 . . . . 0.0 112.398 179.999 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 13' ' ' PRO . . . . . 0.528 ' CD ' ' N ' ' A' ' 12' ' ' GLY . 54.3 Cg_endo -69.79 -56.19 0.15 Allowed 'Trans proline' 0 C--N 1.342 0.186 0 C-N-CA 122.671 2.247 . . . . 0.0 112.346 -179.993 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 31.4 m -91.04 -17.36 7.8 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.258 -0.428 . . . . 0.0 111.11 179.947 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 37.0 tp60 -97.72 -49.59 4.78 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.913 179.999 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -66.14 -35.08 89.99 Favored Glycine 0 N--CA 1.449 -0.454 0 C-N-CA 120.748 -0.739 . . . . 0.0 112.505 -179.944 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 61.1 mt -82.85 -21.42 9.19 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.256 0 CA-C-O 120.824 0.345 . . . . 0.0 111.119 -179.941 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 0.3 OUTLIER -64.66 -35.13 73.99 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.253 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.213 179.767 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 5.5 m-20 -94.73 -23.7 17.44 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.873 179.919 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 0.9 OUTLIER -82.88 -33.38 26.97 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.83 -179.921 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 2.0 tt0 -83.49 -14.03 53.3 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.837 -179.887 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -100.37 -33.41 10.39 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.898 -179.974 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 76.4 mttt -84.0 -37.76 21.79 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.288 -0.415 . . . . 0.0 110.934 179.91 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 24' ' ' GLU . . . . . 0.426 ' O ' HG21 ' A' ' 29' ' ' VAL . 4.5 tt0 -85.95 9.98 15.35 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.822 -179.964 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 3.9 m -118.28 13.17 13.63 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.783 -179.747 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 26' ' ' ASN . . . . . 0.744 ' O ' HG23 ' A' ' 31' ' ' VAL . 0.6 OUTLIER -173.57 -35.86 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.828 -179.926 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . -65.32 -120.12 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 120.667 -0.778 . . . . 0.0 112.513 -179.956 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 53.2 Cg_endo -69.91 46.19 0.51 Allowed 'Trans proline' 0 C--N 1.342 0.207 0 C-N-CA 122.614 2.209 . . . . 0.0 112.335 -179.887 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 29' ' ' VAL . . . . . 0.426 HG21 ' O ' ' A' ' 24' ' ' GLU . 75.2 t -143.32 -41.8 0.17 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.027 179.91 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 7.9 mttp -105.72 -33.06 8.15 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.264 -0.425 . . . . 0.0 110.856 179.925 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 31' ' ' VAL . . . . . 0.744 HG23 ' O ' ' A' ' 26' ' ' ASN . 65.0 t -60.99 -15.8 12.82 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.29 -0.414 . . . . 0.0 111.147 179.896 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 32' ' ' TRP . . . . . . . . . . . . . 0.0 OUTLIER -64.94 -57.8 7.8 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.055 179.958 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -158.74 15.76 0.25 Allowed Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.707 -0.759 . . . . 0.0 112.468 179.843 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 34' ' ' SER . . . . . 0.404 ' HA ' ' H ' ' A' ' 38' ' ' LEU . 23.3 t -82.56 -63.38 1.38 Allowed 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 120.791 0.329 . . . . 0.0 110.82 -179.747 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 35' ' ' ILE . . . . . 0.445 ' O ' ' HB2' ' A' ' 40' ' ' GLU . 15.3 pt -57.26 -14.87 2.81 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 116.101 -0.5 . . . . 0.0 111.123 179.936 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -121.17 10.91 10.77 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.916 179.888 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -148.39 -63.49 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.717 -0.754 . . . . 0.0 112.509 179.874 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 38' ' ' LEU . . . . . 0.46 HD22 HD11 ' A' ' 42' ' ' LEU . 75.8 mt -74.46 -56.41 4.88 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.953 0.406 . . . . 0.0 110.904 -179.895 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -77.56 -18.0 57.34 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.132 -0.485 . . . . 0.0 111.213 179.809 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 40' ' ' GLU . . . . . 0.445 ' HB2' ' O ' ' A' ' 35' ' ' ILE . 0.3 OUTLIER -94.82 -25.69 16.52 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.288 -0.415 . . . . 0.0 110.867 -179.986 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -101.6 -40.12 2.81 Favored Glycine 0 N--CA 1.45 -0.396 0 C-N-CA 120.789 -0.72 . . . . 0.0 112.499 -179.917 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 42' ' ' LEU . . . . . 0.582 ' O ' HG23 ' A' ' 47' ' ' VAL . 5.3 mt -90.53 -27.02 19.45 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-O 120.749 0.309 . . . . 0.0 110.89 -179.991 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 43' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -120.21 -11.34 9.22 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.799 179.898 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 44' ' ' GLY . . . . . 0.406 ' HA3' ' HA ' ' A' ' 40' ' ' GLU . . . -106.2 -24.06 7.03 Favored Glycine 0 N--CA 1.451 -0.354 0 C-N-CA 120.77 -0.728 . . . . 0.0 112.518 -179.936 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . 18.7 t80 -122.64 -15.2 7.58 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.944 0.402 . . . . 0.0 110.897 -179.894 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 46' ' ' HIS . . . . . . . . . . . . . 0.6 OUTLIER -103.13 -50.79 3.4 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.862 179.95 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 47' ' ' VAL . . . . . 0.582 HG23 ' O ' ' A' ' 42' ' ' LEU . 89.7 t -83.9 -61.75 1.67 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.17 179.993 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 48' ' ' HIS . . . . . . . . . . . . . 16.8 m80 -73.76 -55.41 6.27 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.872 179.92 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER 71.64 -70.81 0.15 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.823 -179.946 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 50' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -112.45 -12.97 13.44 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.275 -0.42 . . . . 0.0 110.85 -179.868 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . -55.29 -68.66 1.57 Allowed Glycine 0 N--CA 1.451 -0.3 0 C-N-CA 120.764 -0.732 . . . . 0.0 112.353 -179.902 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -118.56 -13.36 9.68 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-O 120.714 0.292 . . . . 0.0 110.907 -179.934 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 53' ' ' ASN . . . . . . . . . . . . . 4.3 t-20 73.88 -61.3 0.5 Allowed 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.803 -179.967 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 54' ' ' THR . . . . . 0.528 HG23 ' H ' ' A' ' 56' ' ' GLY . 3.5 t -131.29 -1.17 4.01 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.129 -179.926 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . 60.72 16.22 6.5 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.281 -0.418 . . . . 0.0 111.009 179.838 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 56' ' ' GLY . . . . . 0.528 ' H ' HG23 ' A' ' 54' ' ' THR . . . -127.82 -31.82 0.68 Allowed Glycine 0 N--CA 1.45 -0.382 0 C-N-CA 120.717 -0.754 . . . . 0.0 112.562 179.909 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 57' ' ' CYS . . . . . . . . . . . . . 50.3 m -113.97 16.77 18.21 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-O 120.948 0.404 . . . . 0.0 110.935 -179.952 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 58' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -158.77 13.87 0.17 Allowed 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.101 -0.5 . . . . 0.0 111.16 -179.832 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -131.4 -37.1 1.24 Allowed 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.943 -179.869 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -174.84 55.59 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.039 -0.528 . . . . 0.0 111.14 179.878 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . -105.64 165.31 14.0 Favored Glycine 0 N--CA 1.452 -0.268 0 C-N-CA 120.77 -0.729 . . . . 0.0 112.497 -179.924 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 62' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.84 -48.09 0.77 Allowed 'Trans proline' 0 C--O 1.231 0.172 0 C-N-CA 122.681 2.254 . . . . 0.0 112.226 -179.848 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 63' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -179.29 119.3 0.07 Allowed 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.79 -179.981 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 64' ' ' PHE . . . . . . . . . . . . . 15.6 p90 -112.35 0.04 15.54 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.891 -179.91 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 65' ' ' ASN . . . . . . . . . . . . . 1.4 m120 -164.18 80.73 1.4 Allowed Pre-proline 0 C--N 1.329 -0.303 0 CA-C-O 121.588 0.709 . . . . 0.0 110.926 -179.931 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 66' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.78 64.7 1.82 Allowed 'Trans proline' 0 C--O 1.233 0.244 0 C-N-CA 122.548 2.166 . . . . 0.0 112.343 179.973 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 67' ' ' LEU . . . . . 0.664 HD12 ' N ' ' A' ' 68' ' ' SER . 2.6 pp 177.82 -30.1 0.0 OUTLIER 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.915 -179.994 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 68' ' ' SER . . . . . 0.664 ' N ' HD12 ' A' ' 67' ' ' LEU . 60.2 p -69.34 -6.55 30.46 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.89 -179.94 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 69' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -158.17 -77.86 0.07 Allowed 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.847 -179.86 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 10.9 mmtt 55.57 -90.05 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.275 -0.42 . . . . 0.0 110.845 179.919 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 71' ' ' HIS . . . . . . . . . . . . . 15.1 m80 -51.03 -40.05 57.32 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.765 179.895 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . -145.93 125.96 2.41 Favored Glycine 0 N--CA 1.45 -0.386 0 C-N-CA 120.731 -0.747 . . . . 0.0 112.559 -179.981 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . -64.55 -164.49 0.86 Allowed Glycine 0 N--CA 1.452 -0.292 0 C-N-CA 120.78 -0.724 . . . . 0.0 112.412 -179.778 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 74' ' ' PRO . . . . . . . . . . . . . 54.9 Cg_endo -69.71 -170.66 0.4 Allowed 'Trans proline' 0 C--N 1.342 0.193 0 C-N-CA 122.765 2.31 . . . . 0.0 112.391 -179.982 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 179.44 156.03 0.54 Allowed 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.967 179.905 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 1.9 t0 64.22 27.39 13.92 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.935 179.934 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 5.8 pt-20 -177.98 -48.53 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.881 -179.9 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -103.99 -57.78 1.98 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.103 -0.498 . . . . 0.0 110.872 -179.87 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 79' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -79.1 -2.6 41.37 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.881 -179.91 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 80' ' ' HIS . . . . . . . . . . . . . 0.6 OUTLIER -84.16 -24.38 30.2 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.844 -179.995 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 81' ' ' VAL . . . . . . . . . . . . . 4.1 m -154.37 29.78 0.06 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.249 0 CA-C-N 116.28 -0.418 . . . . 0.0 111.2 179.971 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . -64.36 -12.7 52.12 Favored Glycine 0 N--CA 1.452 -0.297 0 C-N-CA 120.764 -0.731 . . . . 0.0 112.462 -179.89 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 83' ' ' ASP . . . . . . . . . . . . . 2.9 m-20 73.04 34.18 1.1 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.906 0.384 . . . . 0.0 110.875 179.968 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 84' ' ' LEU . . . . . 0.422 HD12 ' H ' ' A' ' 85' ' ' GLY . 0.1 OUTLIER -152.01 -76.56 0.13 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.94 -179.951 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 85' ' ' GLY . . . . . 0.422 ' H ' HD12 ' A' ' 84' ' ' LEU . . . -68.32 -39.05 87.91 Favored Glycine 0 N--CA 1.451 -0.352 0 C-N-CA 120.712 -0.756 . . . . 0.0 112.481 179.946 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 86' ' ' ASN . . . . . . . . . . . . . 2.1 t-20 -65.0 -33.93 77.22 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-O 120.825 0.345 . . . . 0.0 110.814 -179.867 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 87' ' ' VAL . . . . . 0.427 HG22 ' O ' ' A' ' 87' ' ' VAL . 8.9 p -99.38 -0.93 10.14 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 CA-C-N 116.272 -0.422 . . . . 0.0 111.213 179.878 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 88' ' ' THR . . . . . 0.507 ' O ' ' HB2' ' A' ' 89' ' ' ALA . 1.3 m -66.67 -39.34 88.12 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.081 -0.509 . . . . 0.0 111.196 180.0 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 89' ' ' ALA . . . . . 0.507 ' HB2' ' O ' ' A' ' 88' ' ' THR . . . 173.01 -28.31 0.0 OUTLIER 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.127 -0.488 . . . . 0.0 111.094 179.977 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 90' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -178.4 -34.86 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.946 -179.978 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 91' ' ' LYS . . . . . 0.421 ' O ' ' CB ' ' A' ' 92' ' ' ASP . 24.6 tptp -151.05 -40.35 0.12 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.945 179.91 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 92' ' ' ASP . . . . . 0.489 ' C ' HG21 ' A' ' 88' ' ' THR . 0.3 OUTLIER 165.94 33.44 0.0 OUTLIER 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.892 179.888 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 93' ' ' GLY . . . . . 0.416 ' N ' HG21 ' A' ' 88' ' ' THR . . . 62.89 27.0 69.5 Favored Glycine 0 N--CA 1.45 -0.374 0 C-N-CA 120.845 -0.693 . . . . 0.0 112.382 -179.942 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 94' ' ' VAL . . . . . . . . . . . . . 78.6 t -131.92 -37.94 0.55 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-O 120.855 0.359 . . . . 0.0 111.139 -179.972 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . -101.61 33.94 2.79 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.061 179.912 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 96' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -177.68 -29.46 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.283 -0.417 . . . . 0.0 110.808 -179.992 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 97' ' ' VAL . . . . . 0.489 ' O ' HG12 ' A' ' 97' ' ' VAL . 4.9 t -114.23 19.18 7.26 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.265 -0.425 . . . . 0.0 111.059 -179.92 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 7.1 t -142.72 -41.89 0.32 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.75 -179.825 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 99' ' ' ILE . . . . . . . . . . . . . 48.2 mt -51.99 -42.77 34.99 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.365 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.179 179.876 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 100' ' ' GLU . . . . . 0.412 ' HA ' HG12 ' A' ' 103' ' ' VAL . 7.6 mt-10 -68.47 -35.97 78.3 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.884 -179.984 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 101' ' ' ASP . . . . . . . . . . . . . 6.5 t70 -76.96 -16.53 59.32 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.878 179.908 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 102' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -97.54 -36.31 10.35 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.298 -0.41 . . . . 0.0 110.953 -179.818 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 103' ' ' VAL . . . . . 0.412 HG12 ' HA ' ' A' ' 100' ' ' GLU . 8.6 p -69.86 -24.43 26.67 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.26 0 CA-C-N 116.029 -0.532 . . . . 0.0 111.196 179.963 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 104' ' ' ILE . . . . . . . . . . . . . 46.8 mm -95.54 -26.06 4.35 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.084 -0.507 . . . . 0.0 111.146 179.906 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 105' ' ' SER . . . . . . . . . . . . . 62.1 p -87.03 -23.13 25.08 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.839 -179.903 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 106' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -85.82 -37.76 18.88 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.123 -0.49 . . . . 0.0 111.0 -179.94 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 107' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -98.28 -37.1 9.79 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 116.05 -0.523 . . . . 0.0 110.893 -179.97 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 108' ' ' GLY . . . . . . . . . . . . . . . -78.22 0.37 74.32 Favored Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.656 -0.783 . . . . 0.0 112.499 179.984 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 109' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -133.96 18.62 3.8 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.912 0.387 . . . . 0.0 110.95 179.995 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 110' ' ' HIS . . . . . . . . . . . . . 15.5 t60 -119.57 -39.5 2.87 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.84 -179.941 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 111' ' ' CYS . . . . . 0.551 ' O ' ' N ' ' A' ' 115' ' ' ARG . 1.6 p -118.27 -51.46 2.42 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.886 -179.87 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 112' ' ' ILE . . . . . . . . . . . . . 51.2 mm -46.96 -25.7 0.67 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.107 -0.497 . . . . 0.0 111.108 -179.946 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 113' ' ' ILE . . . . . . . . . . . . . 61.5 mt -100.94 -49.25 11.13 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.115 179.919 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 114' ' ' GLY . . . . . . . . . . . . . . . -82.1 -46.97 6.36 Favored Glycine 0 N--CA 1.452 -0.255 0 C-N-CA 120.758 -0.734 . . . . 0.0 112.448 179.887 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 115' ' ' ARG . . . . . 0.551 ' N ' ' O ' ' A' ' 111' ' ' CYS . 1.6 tmm_? -50.21 -25.33 3.53 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-O 120.881 0.372 . . . . 0.0 110.781 -179.771 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 116' ' ' THR . . . . . 0.401 HG23 ' N ' ' A' ' 117' ' ' LEU . 9.7 t -100.83 -40.98 7.04 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.288 -0.415 . . . . 0.0 111.223 -179.926 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 117' ' ' LEU . . . . . 0.401 ' N ' HG23 ' A' ' 116' ' ' THR . 7.7 tt -65.59 -19.08 65.77 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.954 179.866 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 118' ' ' VAL . . . . . . . . . . . . . 60.2 t -102.34 -44.25 10.08 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.148 179.789 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 119' ' ' VAL . . . . . . . . . . . . . 88.2 t -79.36 -59.67 2.8 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.117 179.911 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 120' ' ' HIS . . . . . . . . . . . . . 32.6 m170 -98.79 39.07 1.29 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.866 179.936 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 121' ' ' GLU . . . . . . . . . . . . . 35.4 tt0 -54.89 -35.49 64.14 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.965 180.0 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 122' ' ' LYS . . . . . 0.414 ' O ' ' HB3' ' A' ' 123' ' ' ALA . 15.7 ttmt -58.59 -22.12 55.19 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.079 -0.509 . . . . 0.0 110.931 179.921 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 123' ' ' ALA . . . . . 0.414 ' HB3' ' O ' ' A' ' 122' ' ' LYS . . . 66.94 112.34 0.04 OUTLIER 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.256 -0.429 . . . . 0.0 111.096 179.832 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 124' ' ' ASP . . . . . . . . . . . . . 1.2 t70 63.89 43.98 5.06 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.86 -179.964 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 125' ' ' ASP . . . . . . . . . . . . . 4.2 t70 . . . . . 0 C--N 1.329 -0.322 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.865 179.956 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' 1' ' ' ALA . . . . . 0.677 ' HB1' ' HD2' ' A' ' 3' ' ' LYS . . . . . . . . 0 C--O 1.232 0.134 0 CA-C-O 120.973 0.416 . . . . 0.0 111.06 . . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -160.96 24.63 0.14 Allowed 'General case' 0 C--O 1.234 0.246 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.158 -179.993 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 3' ' ' LYS . . . . . 0.677 ' HD2' ' HB1' ' A' ' 1' ' ' ALA . 0.0 OUTLIER -89.79 -45.43 9.29 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.286 -0.416 . . . . 0.0 110.99 179.898 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -62.89 -14.68 49.33 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.081 -0.509 . . . . 0.0 111.043 179.849 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 2.8 t -85.41 -47.84 16.59 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.176 -0.466 . . . . 0.0 111.183 179.94 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 6' ' ' CYS . . . . . 0.546 ' O ' HG23 ' A' ' 7' ' ' VAL . 6.0 p -176.95 75.06 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.832 179.894 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 7' ' ' VAL . . . . . 0.546 HG23 ' O ' ' A' ' 6' ' ' CYS . 1.0 OUTLIER -177.94 -34.68 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.134 -179.954 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -62.55 -16.88 58.38 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.867 -179.977 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 2.2 mptt -93.42 -2.0 55.11 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.916 179.811 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -136.22 48.31 0.93 Allowed Glycine 0 N--CA 1.452 -0.291 0 C-N-CA 120.663 -0.78 . . . . 0.0 112.47 179.899 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -136.94 22.58 3.06 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 120.864 0.364 . . . . 0.0 110.892 179.999 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 12' ' ' GLY . . . . . 0.542 ' N ' ' CD ' ' A' ' 13' ' ' PRO . . . 61.35 47.07 92.9 Favored Glycine 0 N--CA 1.451 -0.354 0 C-N-CA 120.745 -0.741 . . . . 0.0 112.488 -179.892 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 13' ' ' PRO . . . . . 0.542 ' CD ' ' N ' ' A' ' 12' ' ' GLY . 53.8 Cg_endo -69.79 -84.66 0.01 OUTLIER 'Trans proline' 0 C--O 1.231 0.174 0 C-N-CA 122.69 2.26 . . . . 0.0 112.337 -179.937 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 14' ' ' VAL . . . . . 0.405 ' H ' ' HG2' ' A' ' 13' ' ' PRO . 22.7 m -85.83 -16.06 10.07 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.222 179.876 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 46.3 tp60 -96.65 -42.52 7.99 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.955 -179.959 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -73.75 -29.37 63.42 Favored Glycine 0 N--CA 1.45 -0.383 0 C-N-CA 120.782 -0.723 . . . . 0.0 112.486 -179.984 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 5.0 tp -84.55 -27.64 6.9 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 CA-C-O 120.742 0.306 . . . . 0.0 111.031 -179.889 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 0.8 OUTLIER -63.57 -34.55 68.32 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.127 179.853 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 2.0 m-20 -94.93 -24.1 17.13 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.875 179.947 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 3.1 m-85 -81.06 -36.09 30.94 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.926 -179.989 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 1.1 tp10 -85.78 -11.33 53.77 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.872 -179.955 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 4.5 tp60 -99.82 -38.63 8.57 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.865 -179.838 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 7.2 mmtm -80.59 -33.01 36.33 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.933 179.951 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 24' ' ' GLU . . . . . 0.722 ' CG ' HG11 ' A' ' 29' ' ' VAL . 5.2 tt0 -89.26 8.75 28.81 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.224 -0.443 . . . . 0.0 110.973 179.883 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 4.7 m -119.03 13.03 12.92 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.896 -179.808 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 26' ' ' ASN . . . . . 0.493 ' O ' HG23 ' A' ' 31' ' ' VAL . 1.3 m-20 177.06 -31.14 0.0 OUTLIER 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.892 -179.953 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . -62.19 -153.83 0.05 OUTLIER Glycine 0 N--CA 1.45 -0.407 0 C-N-CA 120.77 -0.729 . . . . 0.0 112.474 179.993 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 54.6 Cg_endo -69.78 49.12 0.69 Allowed 'Trans proline' 0 C--N 1.343 0.251 0 C-N-CA 122.505 2.136 . . . . 0.0 112.364 -179.946 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 29' ' ' VAL . . . . . 0.722 HG11 ' CG ' ' A' ' 24' ' ' GLU . 20.8 t -146.06 -59.76 0.1 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.141 -0.482 . . . . 0.0 111.166 179.819 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 30' ' ' LYS . . . . . 0.583 ' HG2' HG23 ' A' ' 35' ' ' ILE . 25.5 ttmt -66.44 -48.66 69.24 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.917 179.835 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 31' ' ' VAL . . . . . 0.493 HG23 ' O ' ' A' ' 26' ' ' ASN . 99.2 t -60.45 -20.96 21.88 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.111 179.97 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 32' ' ' TRP . . . . . . . . . . . . . 4.6 t-105 -55.94 -57.75 10.77 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.949 179.965 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -165.13 18.5 0.1 Allowed Glycine 0 N--CA 1.451 -0.342 0 C-N-CA 120.781 -0.724 . . . . 0.0 112.504 179.964 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 48.2 t -82.74 -64.15 1.23 Allowed 'General case' 0 C--N 1.328 -0.368 0 CA-C-O 120.791 0.329 . . . . 0.0 110.832 -179.661 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 35' ' ' ILE . . . . . 0.583 HG23 ' HG2' ' A' ' 30' ' ' LYS . 15.6 pt -57.69 -15.52 4.38 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.161 179.842 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -119.84 14.53 12.5 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.862 179.857 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -154.98 -62.26 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 120.795 -0.717 . . . . 0.0 112.403 179.947 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 38' ' ' LEU . . . . . 0.536 ' HG ' HD12 ' A' ' 42' ' ' LEU . 3.6 tp -71.42 -56.93 4.98 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-O 120.865 0.364 . . . . 0.0 110.915 -179.836 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 3.9 m -82.78 -16.39 48.08 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.057 -0.519 . . . . 0.0 111.133 179.956 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -93.86 -27.4 16.44 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.28 -0.418 . . . . 0.0 110.893 179.993 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -100.4 -40.19 3.05 Favored Glycine 0 N--CA 1.452 -0.273 0 C-N-CA 120.699 -0.762 . . . . 0.0 112.479 179.965 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 42' ' ' LEU . . . . . 0.596 ' O ' HG23 ' A' ' 47' ' ' VAL . 5.0 mt -91.71 -25.88 18.87 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.803 0.335 . . . . 0.0 110.884 -179.941 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 43' ' ' HIS . . . . . . . . . . . . . 0.9 OUTLIER -121.89 -5.08 9.08 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.284 -0.416 . . . . 0.0 110.768 179.958 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . -114.1 -22.72 5.16 Favored Glycine 0 N--CA 1.45 -0.37 0 C-N-CA 120.817 -0.706 . . . . 0.0 112.515 -179.948 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . 12.0 t80 -121.13 -20.61 6.72 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 120.946 0.403 . . . . 0.0 110.926 -179.91 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 46' ' ' HIS . . . . . . . . . . . . . 8.3 t-80 -101.68 -34.92 9.28 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.873 179.921 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 47' ' ' VAL . . . . . 0.596 HG23 ' O ' ' A' ' 42' ' ' LEU . 92.7 t -101.67 -23.48 4.37 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.115 179.988 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 48' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER -117.13 -27.07 6.59 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.86 179.981 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 32.7 mt-10 52.37 41.72 30.76 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.846 -179.898 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 50' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER 63.48 27.65 15.18 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.044 -0.525 . . . . 0.0 110.861 -179.93 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 177.85 -87.9 0.07 OUTLIER Glycine 0 N--CA 1.451 -0.357 0 C-N-CA 120.79 -0.719 . . . . 0.0 112.524 179.977 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 52' ' ' ASP . . . . . 0.62 ' O ' HG22 ' A' ' 54' ' ' THR . 1.7 t0 -162.32 44.19 0.14 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.875 0.369 . . . . 0.0 110.888 -179.974 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 53' ' ' ASN . . . . . . . . . . . . . 11.3 m-20 49.87 31.48 4.66 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.83 179.987 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 54' ' ' THR . . . . . 0.62 HG22 ' O ' ' A' ' 52' ' ' ASP . 8.9 t -172.12 -34.11 0.01 OUTLIER 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.099 -0.501 . . . . 0.0 111.149 179.974 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 55' ' ' ALA . . . . . 0.654 ' O ' ' HB2' ' A' ' 60' ' ' ALA . . . -122.14 32.93 5.63 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.108 179.811 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . -133.88 -35.78 0.27 Allowed Glycine 0 N--CA 1.452 -0.275 0 C-N-CA 120.797 -0.715 . . . . 0.0 112.513 179.979 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 57' ' ' CYS . . . . . . . . . . . . . 17.9 m -142.8 20.93 1.98 Allowed 'General case' 0 C--N 1.328 -0.366 0 CA-C-O 120.939 0.4 . . . . 0.0 110.88 -179.831 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 58' ' ' THR . . . . . . . . . . . . . 1.2 p -151.33 18.76 0.74 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.2 -0.454 . . . . 0.0 111.129 -179.776 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 3.4 t -175.59 -33.5 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.856 -179.922 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 60' ' ' ALA . . . . . 0.654 ' HB2' ' O ' ' A' ' 55' ' ' ALA . . . -73.99 -20.14 60.43 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.132 -0.486 . . . . 0.0 111.072 179.921 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . -52.19 -70.47 0.88 Allowed Glycine 0 N--CA 1.452 -0.289 0 C-N-CA 120.812 -0.708 . . . . 0.0 112.427 -179.939 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 62' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.64 125.21 11.94 Favored 'Trans proline' 0 C--O 1.232 0.201 0 C-N-CA 122.688 2.259 . . . . 0.0 112.388 -179.944 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 63' ' ' HIS . . . . . . . . . . . . . 1.9 m-70 -168.1 -179.76 4.24 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.856 179.963 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 64' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -74.02 -41.13 62.32 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.229 -0.442 . . . . 0.0 110.805 -179.934 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 65' ' ' ASN . . . . . . . . . . . . . 40.0 m-80 -149.63 80.3 7.61 Favored Pre-proline 0 C--N 1.329 -0.304 0 CA-C-O 121.561 0.696 . . . . 0.0 110.859 -179.831 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 66' ' ' PRO . . . . . . . . . . . . . 54.3 Cg_endo -69.68 55.9 1.29 Allowed 'Trans proline' 0 C--O 1.234 0.284 0 C-N-CA 122.723 2.282 . . . . 0.0 112.38 179.917 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER 179.64 28.02 0.0 OUTLIER 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.288 -0.415 . . . . 0.0 110.899 -179.978 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 35.6 p -175.52 38.34 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.884 -179.906 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 69' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -178.22 -34.15 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.798 -179.875 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 24.8 mtpt -50.25 -74.97 0.03 OUTLIER 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.35 -0.386 . . . . 0.0 110.907 179.956 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 71' ' ' HIS . . . . . . . . . . . . . 14.1 m-70 -91.0 46.14 1.3 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.855 179.893 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . 92.59 -34.61 4.4 Favored Glycine 0 N--CA 1.45 -0.381 0 C-N-CA 120.715 -0.755 . . . . 0.0 112.501 -179.977 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . 130.0 -70.52 0.51 Allowed Glycine 0 N--CA 1.45 -0.43 0 C-N-CA 120.722 -0.752 . . . . 0.0 112.569 -179.86 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 74' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.81 -170.07 0.37 Allowed 'Trans proline' 0 C--O 1.232 0.189 0 C-N-CA 122.656 2.237 . . . . 0.0 112.37 179.952 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 65.59 160.8 0.13 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.904 179.935 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 8.7 t70 57.0 24.52 9.6 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.778 179.919 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 13.0 pt-20 -166.07 -41.11 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.321 -0.4 . . . . 0.0 110.886 -179.94 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 24.4 tt0 -103.44 -57.77 1.98 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.885 -179.915 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 79' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -82.95 1.02 41.82 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.121 -0.491 . . . . 0.0 110.85 -179.86 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 80' ' ' HIS . . . . . . . . . . . . . 1.6 t-160 -94.07 -23.01 18.15 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.82 179.989 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 81' ' ' VAL . . . . . . . . . . . . . 5.3 m -153.59 28.62 0.07 OUTLIER 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.31 -0.405 . . . . 0.0 111.187 179.856 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . -67.18 -7.97 47.61 Favored Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.724 -0.75 . . . . 0.0 112.477 179.976 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 83' ' ' ASP . . . . . . . . . . . . . 2.9 m-20 72.85 28.07 2.08 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-O 120.848 0.356 . . . . 0.0 110.883 179.992 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 84' ' ' LEU . . . . . 0.612 ' O ' ' N ' ' A' ' 88' ' ' THR . 0.0 OUTLIER -157.47 -87.43 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.931 -179.872 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 85' ' ' GLY . . . . . 0.55 ' H ' HD12 ' A' ' 84' ' ' LEU . . . -48.57 -24.56 4.01 Favored Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.684 -0.769 . . . . 0.0 112.454 179.928 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 86' ' ' ASN . . . . . . . . . . . . . 4.6 t30 -95.42 -26.9 15.68 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.827 0.346 . . . . 0.0 110.793 -179.904 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 87' ' ' VAL . . . . . 0.451 HG12 ' N ' ' A' ' 84' ' ' LEU . 7.1 p -108.1 7.52 9.43 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.277 -0.42 . . . . 0.0 111.111 179.947 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 88' ' ' THR . . . . . 0.612 ' N ' ' O ' ' A' ' 84' ' ' LEU . 2.2 m -119.65 9.57 11.48 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.135 -179.983 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 89' ' ' ALA . . . . . 0.425 ' HB3' ' O ' ' A' ' 88' ' ' THR . . . 67.62 9.73 7.27 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.256 -0.429 . . . . 0.0 111.138 179.899 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 90' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER 169.65 -58.78 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.885 179.951 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 91' ' ' LYS . . . . . 0.422 ' HA ' ' HA2' ' A' ' 85' ' ' GLY . 0.0 OUTLIER 170.23 -26.51 0.0 OUTLIER 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.901 179.979 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 92' ' ' ASP . . . . . . . . . . . . . 33.2 m-20 -124.45 -35.03 2.81 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.823 179.888 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 93' ' ' GLY . . . . . 0.441 ' N ' HG22 ' A' ' 88' ' ' THR . . . -174.39 -28.89 0.03 OUTLIER Glycine 0 N--CA 1.451 -0.303 0 C-N-CA 120.694 -0.765 . . . . 0.0 112.481 -179.852 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 94' ' ' VAL . . . . . 0.432 ' HB ' ' O ' ' A' ' 93' ' ' GLY . 2.7 p 170.09 -20.03 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.327 -0.377 0 CA-C-O 120.853 0.359 . . . . 0.0 111.174 -179.94 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 95' ' ' ALA . . . . . 1.065 ' HB3' HD13 ' A' ' 99' ' ' ILE . . . -135.81 21.62 3.31 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.102 -0.499 . . . . 0.0 111.132 179.853 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 96' ' ' ASP . . . . . 0.539 ' CG ' ' O ' ' A' ' 96' ' ' ASP . 0.0 OUTLIER 67.21 13.75 9.51 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.892 179.954 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 97' ' ' VAL . . . . . 0.631 ' HB ' HD12 ' A' ' 99' ' ' ILE . 3.2 t -133.53 7.61 1.36 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.182 -179.973 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 98' ' ' SER . . . . . 0.415 ' HA ' ' HA3' ' A' ' 93' ' ' GLY . 0.1 OUTLIER 66.46 35.34 5.64 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.858 -179.861 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 99' ' ' ILE . . . . . 1.065 HD13 ' HB3' ' A' ' 95' ' ' ALA . 0.9 OUTLIER -50.83 -42.84 23.81 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.132 179.948 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 100' ' ' GLU . . . . . . . . . . . . . 1.2 mt-10 -64.53 -30.8 71.83 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.849 179.941 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 101' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -86.6 -16.04 37.95 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.861 -179.971 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 102' ' ' SER . . . . . . . . . . . . . 1.5 t -94.61 -36.47 11.78 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.829 -179.7 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 103' ' ' VAL . . . . . 0.475 HG23 ' O ' ' A' ' 99' ' ' ILE . 92.9 t -74.85 -23.33 17.54 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.233 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.129 179.947 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 104' ' ' ILE . . . . . . . . . . . . . 83.6 mt -94.8 -26.92 4.3 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.326 0 CA-C-N 116.281 -0.418 . . . . 0.0 111.084 179.897 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 105' ' ' SER . . . . . . . . . . . . . 30.8 t -87.42 -21.26 25.69 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.899 -179.905 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 106' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -86.17 -39.1 17.0 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.842 -179.994 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 107' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -98.44 -34.18 10.74 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.799 -179.805 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 108' ' ' GLY . . . . . . . . . . . . . . . -81.06 2.99 78.95 Favored Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.78 -0.724 . . . . 0.0 112.557 179.939 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 109' ' ' ASP . . . . . 0.493 ' CG ' HD12 ' A' ' 113' ' ' ILE . 0.8 OUTLIER -133.6 6.44 3.76 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 120.822 0.344 . . . . 0.0 110.836 179.993 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 110' ' ' HIS . . . . . . . . . . . . . 46.7 t60 -124.79 -18.25 5.64 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.835 -179.931 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 111' ' ' CYS . . . . . . . . . . . . . 3.1 t -116.09 -29.5 6.28 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.895 -179.868 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 112' ' ' ILE . . . . . . . . . . . . . 64.3 mt -100.64 -43.66 10.8 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.348 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.194 -179.996 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 113' ' ' ILE . . . . . 0.493 HD12 ' CG ' ' A' ' 109' ' ' ASP . 46.1 mt -98.23 -58.18 3.99 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.119 179.868 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 114' ' ' GLY . . . . . 0.579 ' O ' HG13 ' A' ' 118' ' ' VAL . . . -58.46 -26.0 58.82 Favored Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.753 -0.737 . . . . 0.0 112.477 179.846 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 115' ' ' ARG . . . . . 0.573 ' O ' HG23 ' A' ' 119' ' ' VAL . 0.1 OUTLIER -60.17 -59.04 6.04 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.877 0.37 . . . . 0.0 110.91 -179.855 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 116' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -71.41 -16.15 62.39 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.132 -179.923 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 117' ' ' LEU . . . . . . . . . . . . . 4.5 tt -84.66 -29.17 25.9 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.953 179.921 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 118' ' ' VAL . . . . . 0.579 HG13 ' O ' ' A' ' 114' ' ' GLY . 15.5 m -99.73 -29.53 3.35 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.179 179.811 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 119' ' ' VAL . . . . . 0.573 HG23 ' O ' ' A' ' 115' ' ' ARG . 7.5 t -61.06 -71.08 0.12 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.117 -0.492 . . . . 0.0 111.037 179.958 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 120' ' ' HIS . . . . . 0.498 ' N ' HG12 ' A' ' 119' ' ' VAL . 33.9 m170 -133.48 -35.26 1.01 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.902 -180.0 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 121' ' ' GLU . . . . . . . . . . . . . 5.2 tt0 48.14 36.78 7.02 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.943 -179.921 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 122' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -80.91 -0.04 37.44 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.899 179.985 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 123' ' ' ALA . . . . . . . . . . . . . . . -76.23 -5.41 46.76 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.284 -0.416 . . . . 0.0 111.145 179.767 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 124' ' ' ASP . . . . . . . . . . . . . 7.0 p-10 -158.64 -41.27 0.06 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.861 -179.961 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 125' ' ' ASP . . . . . . . . . . . . . 17.2 t70 . . . . . 0 C--N 1.328 -0.341 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.836 179.99 . . . . . . . . 0 0 . 1 stop_ save_